smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@@H+](C)CCC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001648785778 1079565611 /nfs/dbraw/zinc/56/56/11/1079565611.db2.gz DHLUXTKUUJPGMB-UHFFFAOYSA-N 2 1 364.574 4.045 20 10 FICDMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178253989 1083024706 /nfs/dbraw/zinc/02/47/06/1083024706.db2.gz MWZGRCKRXPPWES-QGZVFWFLSA-N 2 1 359.533 4.341 20 10 FICDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000762073333 1120695129 /nfs/dbraw/zinc/69/51/29/1120695129.db2.gz IOMOAPGSHSOFDX-UHFFFAOYSA-N 2 1 373.541 4.369 20 10 FICDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000762073333 1120695137 /nfs/dbraw/zinc/69/51/37/1120695137.db2.gz IOMOAPGSHSOFDX-UHFFFAOYSA-N 2 1 373.541 4.369 20 10 FICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000916836208 1121877614 /nfs/dbraw/zinc/87/76/14/1121877614.db2.gz FWHXSGHDLHOZGR-UHFFFAOYSA-N 2 1 362.521 4.398 20 10 FICDMP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1O ZINC000155016167 1123042121 /nfs/dbraw/zinc/04/21/21/1123042121.db2.gz LZLWHYFHQLJNNY-KGVIQGDOSA-N 2 1 368.521 4.242 20 10 FICDMP COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000311779011 1088829000 /nfs/dbraw/zinc/82/90/00/1088829000.db2.gz HQVUEZVBHDPUSI-WBVHZDCISA-N 2 1 374.912 4.054 20 10 FICDMP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000185053242 1090500516 /nfs/dbraw/zinc/50/05/16/1090500516.db2.gz VYHJZZHOBYZCCB-QGZVFWFLSA-N 2 1 354.494 4.024 20 10 FICDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014883 1092907319 /nfs/dbraw/zinc/90/73/19/1092907319.db2.gz MWLVROUTICONPX-OPMZPASUSA-N 2 1 350.506 4.153 20 10 FICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000916835188 1121877409 /nfs/dbraw/zinc/87/74/09/1121877409.db2.gz JTOTTZSCCFEYMA-JOCHJYFZSA-N 2 1 351.538 4.145 20 10 FICDMP COc1cccc(F)c1CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167606973 1085539201 /nfs/dbraw/zinc/53/92/01/1085539201.db2.gz LTYJBFYMACLTFA-INIZCTEOSA-N 2 1 368.456 4.111 20 10 FICDMP CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000728594311 1087531599 /nfs/dbraw/zinc/53/15/99/1087531599.db2.gz PJRBRDCKVWAROI-HSZRJFAPSA-N 2 1 365.565 4.187 20 10 FICDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185046752 1090499495 /nfs/dbraw/zinc/49/94/95/1090499495.db2.gz PTKHWLPNEYGGNQ-INIZCTEOSA-N 2 1 360.473 4.103 20 10 FICDMP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000248482314 1093262174 /nfs/dbraw/zinc/26/21/74/1093262174.db2.gz BZZCLUNSVDUVLF-ZWKOTPCHSA-N 2 1 368.521 4.484 20 10 FICDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000174450178 1116134936 /nfs/dbraw/zinc/13/49/36/1116134936.db2.gz VPVJCRYBDIHFGD-UHFFFAOYSA-N 2 1 362.473 4.136 20 10 FICDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762647992 1120945107 /nfs/dbraw/zinc/94/51/07/1120945107.db2.gz GSSKSFBKJIEIRO-SFTDATJTSA-N 2 1 373.585 4.219 20 10 FICDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000763217049 1121296487 /nfs/dbraw/zinc/29/64/87/1121296487.db2.gz QWXKUTFXBSIDCC-GOSISDBHSA-N 2 1 367.537 4.417 20 10 FICDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312948770 1085140061 /nfs/dbraw/zinc/14/00/61/1085140061.db2.gz RHNDWCSOVIXDHB-QUCCMNQESA-N 2 1 368.521 4.354 20 10 FICDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312948768 1085140572 /nfs/dbraw/zinc/14/05/72/1085140572.db2.gz RHNDWCSOVIXDHB-AZUAARDMSA-N 2 1 368.521 4.354 20 10 FICDMP C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311584333 1086478180 /nfs/dbraw/zinc/47/81/80/1086478180.db2.gz XYYXDRSDVOSWAX-NNMXDRDESA-N 2 1 351.538 4.314 20 10 FICDMP CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000728594312 1087531759 /nfs/dbraw/zinc/53/17/59/1087531759.db2.gz PJRBRDCKVWAROI-QHCPKHFHSA-N 2 1 365.565 4.187 20 10 FICDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000153701504 1121038805 /nfs/dbraw/zinc/03/88/05/1121038805.db2.gz DKNZNOPTSKOPGL-HNNXBMFYSA-N 2 1 352.457 4.237 20 10 FICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000236965750 1093157305 /nfs/dbraw/zinc/15/73/05/1093157305.db2.gz DGZIJSDPGLBMGO-QFIPXVFZSA-N 2 1 351.538 4.145 20 10 FICDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000185084366 1101687308 /nfs/dbraw/zinc/68/73/08/1101687308.db2.gz GDLINIUPZLHRQI-HNNXBMFYSA-N 2 1 362.477 4.011 20 10 FICDMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000177968897 1084517415 /nfs/dbraw/zinc/51/74/15/1084517415.db2.gz UBPQIIZIRSQFEW-IBGZPJMESA-N 2 1 351.538 4.110 20 10 FICDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178697055 1085879436 /nfs/dbraw/zinc/87/94/36/1085879436.db2.gz XBXZJVGEESCQSF-IAGOWNOFSA-N 2 1 358.505 4.308 20 10 FICDMP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000185675708 1101743786 /nfs/dbraw/zinc/74/37/86/1101743786.db2.gz DLHOSCVDAIMRPQ-CABCVRRESA-N 2 1 351.450 4.307 20 10 FICDMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178253975 1083024261 /nfs/dbraw/zinc/02/42/61/1083024261.db2.gz MWZGRCKRXPPWES-KRWDZBQOSA-N 2 1 359.533 4.341 20 10 FICDMP COc1cccc(F)c1CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167606974 1085539091 /nfs/dbraw/zinc/53/90/91/1085539091.db2.gz LTYJBFYMACLTFA-MRXNPFEDSA-N 2 1 368.456 4.111 20 10 FICDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000311584330 1088737005 /nfs/dbraw/zinc/73/70/05/1088737005.db2.gz XYYXDRSDVOSWAX-CNNODRBYSA-N 2 1 351.538 4.314 20 10 FICDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(Br)cc1O ZINC000756363458 1090127508 /nfs/dbraw/zinc/12/75/08/1090127508.db2.gz OGGASJAXGGZZRA-ZIAGYGMSSA-N 2 1 355.320 4.070 20 10 FICDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(Br)cc1O ZINC000756363458 1090127513 /nfs/dbraw/zinc/12/75/13/1090127513.db2.gz OGGASJAXGGZZRA-ZIAGYGMSSA-N 2 1 355.320 4.070 20 10 FICDMP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000185675758 1101743155 /nfs/dbraw/zinc/74/31/55/1101743155.db2.gz DLHOSCVDAIMRPQ-LSDHHAIUSA-N 2 1 351.450 4.307 20 10 FICDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000164598648 1114523899 /nfs/dbraw/zinc/52/38/99/1114523899.db2.gz VXQTUZMXLLOENT-QGZVFWFLSA-N 2 1 358.505 4.452 20 10 FICDMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000311584331 1088737899 /nfs/dbraw/zinc/73/78/99/1088737899.db2.gz XYYXDRSDVOSWAX-IPJJNNNSSA-N 2 1 351.538 4.314 20 10 FICDMP CN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000174451337 1116134920 /nfs/dbraw/zinc/13/49/20/1116134920.db2.gz XXSYEBIAAWGNCZ-UHFFFAOYSA-N 2 1 363.505 4.267 20 10 FICDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001167827259 1086621020 /nfs/dbraw/zinc/62/10/20/1086621020.db2.gz VHSWOIZMABPXMY-QGZVFWFLSA-N 2 1 357.542 4.056 20 10 FICDMP COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000311356681 1088590853 /nfs/dbraw/zinc/59/08/53/1088590853.db2.gz DHAPGKAEMIGRPP-OAQYLSRUSA-N 2 1 374.912 4.056 20 10 FICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000915683240 1121020296 /nfs/dbraw/zinc/02/02/96/1121020296.db2.gz YZSBFLYTDHWESZ-VWNXMTODSA-N 2 1 363.549 4.430 20 10 FICDMP C[C@@H]([NH2+]CCCSc1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780876837 1086304301 /nfs/dbraw/zinc/30/43/01/1086304301.db2.gz FHBBAGARDWMKBF-SJLPKXTDSA-N 2 1 361.580 4.126 20 10 FICDMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(F)cc3O)CC2)cc1 ZINC000185230162 1090521777 /nfs/dbraw/zinc/52/17/77/1090521777.db2.gz SCHKXMMQMQRIOB-INIZCTEOSA-N 2 1 372.484 4.103 20 10 FICDMP Cc1ccc(O)c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000174452566 1116135233 /nfs/dbraw/zinc/13/52/33/1116135233.db2.gz PSDOSAHHHXCNRW-UHFFFAOYSA-N 2 1 350.462 4.215 20 10 FICDMP C[C@H]([NH2+]CCCSc1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780876836 1086302530 /nfs/dbraw/zinc/30/25/30/1086302530.db2.gz FHBBAGARDWMKBF-FUHWJXTLSA-N 2 1 361.580 4.126 20 10 FICDMP C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000756440557 1090443957 /nfs/dbraw/zinc/44/39/57/1090443957.db2.gz FLAAXSWRGSQKGV-BLLLJJGKSA-N 2 1 366.303 4.117 20 10 FICDMP c1cc(N2CCCCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964542 1101438617 /nfs/dbraw/zinc/43/86/17/1101438617.db2.gz SIAXLANRODUDPQ-BRTIRZTQSA-N 2 1 353.554 4.172 20 10 FICDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(F)ccc1O ZINC000180782860 1124435837 /nfs/dbraw/zinc/43/58/37/1124435837.db2.gz VEMHIFFIGPYXKI-UHFFFAOYSA-N 2 1 354.425 4.046 20 10 FICDMP CCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1O ZINC000312957497 1085147747 /nfs/dbraw/zinc/14/77/47/1085147747.db2.gz STZBXZPUWNOQND-FQEVSTJZSA-N 2 1 368.521 4.183 20 10 FICDMP CCOc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1O ZINC000312957498 1085148163 /nfs/dbraw/zinc/14/81/63/1085148163.db2.gz STZBXZPUWNOQND-HXUWFJFHSA-N 2 1 368.521 4.183 20 10 FICDMP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1O ZINC000155016119 1084147798 /nfs/dbraw/zinc/14/77/98/1084147798.db2.gz LZLWHYFHQLJNNY-SVMVAKDDSA-N 2 1 368.521 4.242 20 10 FICDMP C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311584332 1088738383 /nfs/dbraw/zinc/73/83/83/1088738383.db2.gz XYYXDRSDVOSWAX-JQVVWYNYSA-N 2 1 351.538 4.314 20 10 FICDMP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000185469557 1090546813 /nfs/dbraw/zinc/54/68/13/1090546813.db2.gz CBFNDWJPADVXKS-IRXDYDNUSA-N 2 1 354.494 4.277 20 10 FICDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1)CC1CC1 ZINC001168423123 1116037622 /nfs/dbraw/zinc/03/76/22/1116037622.db2.gz DLGTYZUOCSGPCE-UHFFFAOYSA-N 2 1 357.586 4.395 20 10 FICDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000915229854 1120888701 /nfs/dbraw/zinc/88/87/01/1120888701.db2.gz VDNMNSKFMKFLDJ-UHFFFAOYSA-N 2 1 365.565 4.330 20 10 FICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000915683238 1121020001 /nfs/dbraw/zinc/02/00/01/1121020001.db2.gz YZSBFLYTDHWESZ-LADGPHEKSA-N 2 1 363.549 4.430 20 10 FICDMP Cc1cc(Br)c(O)c(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC001649106448 1121835817 /nfs/dbraw/zinc/83/58/17/1121835817.db2.gz GLUWDPSHVFMIKS-UHFFFAOYSA-N 2 1 369.347 4.209 20 10 FICDMP Cc1cc(O)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(Cl)c1 ZINC001649095599 1121754849 /nfs/dbraw/zinc/75/48/49/1121754849.db2.gz GBKALBMMIFKGDE-GOSISDBHSA-N 2 1 358.913 4.008 20 10 FICDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1F ZINC001648903380 1081360016 /nfs/dbraw/zinc/36/00/16/1081360016.db2.gz OAUVPXNRGJLNNY-PLNGDYQASA-N 2 1 364.468 4.189 20 10 FICDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178697045 1085879317 /nfs/dbraw/zinc/87/93/17/1085879317.db2.gz XBXZJVGEESCQSF-DLBZAZTESA-N 2 1 358.505 4.308 20 10 FICDMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1O ZINC000182421486 1090352174 /nfs/dbraw/zinc/35/21/74/1090352174.db2.gz PAQGCOSKVJIBRY-UHFFFAOYSA-N 2 1 350.462 4.215 20 10 FICDMP COc1ccc2ccc(O)c(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)c2c1 ZINC000738088111 1094532680 /nfs/dbraw/zinc/53/26/80/1094532680.db2.gz BKLUUFZOFLJJTL-UHFFFAOYSA-N 2 1 356.510 4.106 20 10 FICDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000153467257 1120789541 /nfs/dbraw/zinc/78/95/41/1120789541.db2.gz UMJQSECMOUBEBB-GOSISDBHSA-N 2 1 354.494 4.004 20 10 FICDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000763217058 1121297001 /nfs/dbraw/zinc/29/70/01/1121297001.db2.gz QWXKUTFXBSIDCC-SFHVURJKSA-N 2 1 367.537 4.417 20 10 FICDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1F ZINC001648903381 1081359877 /nfs/dbraw/zinc/35/98/77/1081359877.db2.gz OAUVPXNRGJLNNY-SNAWJCMRSA-N 2 1 364.468 4.189 20 10 FICDMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001168164977 1101752899 /nfs/dbraw/zinc/75/28/99/1101752899.db2.gz GTMRBBWUSCQHCT-INIZCTEOSA-N 2 1 358.913 4.231 20 10 FICDMP Oc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc(Cl)c2cccnc12 ZINC001167965395 1101842272 /nfs/dbraw/zinc/84/22/72/1101842272.db2.gz DVNMWCNVAXADTE-ALOPSCKCSA-N 2 1 371.912 4.089 20 10 FICDMP Oc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc(Cl)c2cccnc12 ZINC001167965395 1101842289 /nfs/dbraw/zinc/84/22/89/1101842289.db2.gz DVNMWCNVAXADTE-ALOPSCKCSA-N 2 1 371.912 4.089 20 10 FICDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000164598545 1114523917 /nfs/dbraw/zinc/52/39/17/1114523917.db2.gz VXQTUZMXLLOENT-KRWDZBQOSA-N 2 1 358.505 4.452 20 10 FICDMP Cc1cc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(Cl)c1 ZINC001649095601 1121755606 /nfs/dbraw/zinc/75/56/06/1121755606.db2.gz GBKALBMMIFKGDE-SFHVURJKSA-N 2 1 358.913 4.008 20 10 FICDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178697036 1085879601 /nfs/dbraw/zinc/87/96/01/1085879601.db2.gz XBXZJVGEESCQSF-SJORKVTESA-N 2 1 358.505 4.308 20 10 FICDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025241 1093417726 /nfs/dbraw/zinc/41/77/26/1093417726.db2.gz JDZHRGYOZFBIQG-HATOLVCRSA-N 2 1 351.538 4.284 20 10 FICDMP Oc1ccc(Cl)c(F)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001648903159 1081359835 /nfs/dbraw/zinc/35/98/35/1081359835.db2.gz IJOUAWYMOYALSJ-UHFFFAOYSA-N 2 1 362.876 4.187 20 10 FICDMP C[C@@H]([NH2+]CCCSc1nccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780876815 1086301500 /nfs/dbraw/zinc/30/15/00/1086301500.db2.gz FHBBAGARDWMKBF-AEFFLSMTSA-N 2 1 361.580 4.126 20 10 FICDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(Br)ccc1O ZINC000756363430 1090132861 /nfs/dbraw/zinc/13/28/61/1090132861.db2.gz OFRUIIOACUDBIZ-UONOGXRCSA-N 2 1 355.320 4.070 20 10 FICDMP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000185675722 1101743139 /nfs/dbraw/zinc/74/31/39/1101743139.db2.gz DLHOSCVDAIMRPQ-GJZGRUSLSA-N 2 1 351.450 4.307 20 10 FICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000916835189 1121876494 /nfs/dbraw/zinc/87/64/94/1121876494.db2.gz JTOTTZSCCFEYMA-QFIPXVFZSA-N 2 1 351.538 4.145 20 10 FICDMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001648795637 1080804375 /nfs/dbraw/zinc/80/43/75/1080804375.db2.gz SITGKIBEZYGJDH-HNNXBMFYSA-N 2 1 360.448 4.335 20 10 FICDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001648795637 1080804381 /nfs/dbraw/zinc/80/43/81/1080804381.db2.gz SITGKIBEZYGJDH-HNNXBMFYSA-N 2 1 360.448 4.335 20 10 FICDMP Cc1ccc2c(C)cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)[nH+]c2c1 ZINC001167426957 1082055758 /nfs/dbraw/zinc/05/57/58/1082055758.db2.gz QCWKCZWAUQPBPM-UHFFFAOYSA-N 2 1 360.505 4.216 20 10 FICDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312948769 1085140161 /nfs/dbraw/zinc/14/01/61/1085140161.db2.gz RHNDWCSOVIXDHB-ICSRJNTNSA-N 2 1 368.521 4.354 20 10 FICDMP COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000311779000 1088829951 /nfs/dbraw/zinc/82/99/51/1088829951.db2.gz HQVUEZVBHDPUSI-DOTOQJQBSA-N 2 1 374.912 4.054 20 10 FICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000236966037 1093159039 /nfs/dbraw/zinc/15/90/39/1093159039.db2.gz DGZIJSDPGLBMGO-JOCHJYFZSA-N 2 1 351.538 4.145 20 10 FICDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(C)c(C)c3O)CC2)oc1C ZINC000273615745 1096279156 /nfs/dbraw/zinc/27/91/56/1096279156.db2.gz XHHZJFNHWYRBIL-QGZVFWFLSA-N 2 1 371.525 4.177 20 10 FICDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)C1 ZINC000917395572 1122287127 /nfs/dbraw/zinc/28/71/27/1122287127.db2.gz RNDBZRCMOJBUBG-KDURUIRLSA-N 2 1 364.533 4.389 20 10 FICDMP C[N@@H+](Cc1cc(F)c(F)cc1O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001142527177 1102157560 /nfs/dbraw/zinc/15/75/60/1102157560.db2.gz NDNWKZUKOVCHQR-UHFFFAOYSA-N 2 1 360.448 4.014 20 10 FICDMP C[N@H+](Cc1cc(F)c(F)cc1O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001142527177 1102157565 /nfs/dbraw/zinc/15/75/65/1102157565.db2.gz NDNWKZUKOVCHQR-UHFFFAOYSA-N 2 1 360.448 4.014 20 10 FICDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762647967 1120944967 /nfs/dbraw/zinc/94/49/67/1120944967.db2.gz GSSKSFBKJIEIRO-LEWJYISDSA-N 2 1 373.585 4.219 20 10 FICDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001648819242 1081244367 /nfs/dbraw/zinc/24/43/67/1081244367.db2.gz UFKYLXPWXKJDTB-LEWJYISDSA-N 2 1 355.551 4.101 20 10 FICDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC001648819242 1081244370 /nfs/dbraw/zinc/24/43/70/1081244370.db2.gz UFKYLXPWXKJDTB-LEWJYISDSA-N 2 1 355.551 4.101 20 10 FICDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001648819243 1081244967 /nfs/dbraw/zinc/24/49/67/1081244967.db2.gz UFKYLXPWXKJDTB-NHCUHLMSSA-N 2 1 355.551 4.101 20 10 FICDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC001648819243 1081244970 /nfs/dbraw/zinc/24/49/70/1081244970.db2.gz UFKYLXPWXKJDTB-NHCUHLMSSA-N 2 1 355.551 4.101 20 10 FICDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000010315383 1088900124 /nfs/dbraw/zinc/90/01/24/1088900124.db2.gz PAPGOBSMTCIEOJ-UHFFFAOYSA-N 2 1 351.538 4.287 20 10 FICDMP C[C@@H]1CCC[NH+]1Cc1c(O)ccc2ccc(O)c(C[N@@H+]3CCC[C@@H]3C)c21 ZINC000173519716 1090519049 /nfs/dbraw/zinc/51/90/49/1090519049.db2.gz HLIFZMMNGSXWIA-IYBDPMFKSA-N 2 1 354.494 4.220 20 10 FICDMP C[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccc(O)c(C[NH+]3CCC[C@@H]3C)c21 ZINC000173519716 1090519052 /nfs/dbraw/zinc/51/90/52/1090519052.db2.gz HLIFZMMNGSXWIA-IYBDPMFKSA-N 2 1 354.494 4.220 20 10 FICDMP C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccc(O)c(C[NH+]3CCC[C@@H]3C)c21 ZINC000173519716 1090519056 /nfs/dbraw/zinc/51/90/56/1090519056.db2.gz HLIFZMMNGSXWIA-IYBDPMFKSA-N 2 1 354.494 4.220 20 10 FICDMP COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000185675738 1101742509 /nfs/dbraw/zinc/74/25/09/1101742509.db2.gz DLHOSCVDAIMRPQ-HUUCEWRRSA-N 2 1 351.450 4.307 20 10 FICDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762647982 1120945045 /nfs/dbraw/zinc/94/50/45/1120945045.db2.gz GSSKSFBKJIEIRO-RTWAWAEBSA-N 2 1 373.585 4.219 20 10 FICDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000153701617 1121038529 /nfs/dbraw/zinc/03/85/29/1121038529.db2.gz DKNZNOPTSKOPGL-OAHLLOKOSA-N 2 1 352.457 4.237 20 10 FICDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000917395656 1122287495 /nfs/dbraw/zinc/28/74/95/1122287495.db2.gz XJLCZGOKDVKCTM-KDURUIRLSA-N 2 1 364.533 4.389 20 10 FICDMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001648795638 1080805211 /nfs/dbraw/zinc/80/52/11/1080805211.db2.gz SITGKIBEZYGJDH-OAHLLOKOSA-N 2 1 360.448 4.335 20 10 FICDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001648795638 1080805217 /nfs/dbraw/zinc/80/52/17/1080805217.db2.gz SITGKIBEZYGJDH-OAHLLOKOSA-N 2 1 360.448 4.335 20 10 FICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000236970749 1093247903 /nfs/dbraw/zinc/24/79/03/1093247903.db2.gz QCRSVCGJWWTIBA-UHFFFAOYSA-N 2 1 363.549 4.430 20 10 FICDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312948771 1085140686 /nfs/dbraw/zinc/14/06/86/1085140686.db2.gz RHNDWCSOVIXDHB-UYAOXDASSA-N 2 1 368.521 4.354 20 10 FICDMP COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000311356678 1088591509 /nfs/dbraw/zinc/59/15/09/1088591509.db2.gz DHAPGKAEMIGRPP-NRFANRHFSA-N 2 1 374.912 4.056 20 10 FICDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995697 1104542001 /nfs/dbraw/zinc/54/20/01/1104542001.db2.gz OHRKDXGVABXHJL-AIZNXBIQSA-N 2 1 353.554 4.124 20 10 FICDMP C[NH+](Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995697 1104542012 /nfs/dbraw/zinc/54/20/12/1104542012.db2.gz OHRKDXGVABXHJL-AIZNXBIQSA-N 2 1 353.554 4.124 20 10 FICDMP C[NH+](Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995697 1104542027 /nfs/dbraw/zinc/54/20/27/1104542027.db2.gz OHRKDXGVABXHJL-AIZNXBIQSA-N 2 1 353.554 4.124 20 10 FICDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001648819245 1081244526 /nfs/dbraw/zinc/24/45/26/1081244526.db2.gz UFKYLXPWXKJDTB-SFTDATJTSA-N 2 1 355.551 4.101 20 10 FICDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC001648819245 1081244531 /nfs/dbraw/zinc/24/45/31/1081244531.db2.gz UFKYLXPWXKJDTB-SFTDATJTSA-N 2 1 355.551 4.101 20 10 FICDMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000177968908 1084516851 /nfs/dbraw/zinc/51/68/51/1084516851.db2.gz UBPQIIZIRSQFEW-LJQANCHMSA-N 2 1 351.538 4.110 20 10 FICDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001167827257 1086620559 /nfs/dbraw/zinc/62/05/59/1086620559.db2.gz VHSWOIZMABPXMY-KRWDZBQOSA-N 2 1 357.542 4.056 20 10 FICDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2c1 ZINC000157960341 1115412606 /nfs/dbraw/zinc/41/26/06/1115412606.db2.gz DGLPFROKKJJKPK-VGSWGCGISA-N 2 1 366.505 4.003 20 10 FICDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000157960341 1115412609 /nfs/dbraw/zinc/41/26/09/1115412609.db2.gz DGLPFROKKJJKPK-VGSWGCGISA-N 2 1 366.505 4.003 20 10 FICDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000157960341 1115412611 /nfs/dbraw/zinc/41/26/11/1115412611.db2.gz DGLPFROKKJJKPK-VGSWGCGISA-N 2 1 366.505 4.003 20 10 FICDMP Cc1c2ccccc2n(C)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463250139 1118049629 /nfs/dbraw/zinc/04/96/29/1118049629.db2.gz ZXNASYXMQIYYKK-UHFFFAOYSA-N 2 1 361.533 4.283 20 10 FICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000915683237 1121020327 /nfs/dbraw/zinc/02/03/27/1121020327.db2.gz YZSBFLYTDHWESZ-ISKFKSNPSA-N 2 1 363.549 4.430 20 10 FICDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001648819244 1081244823 /nfs/dbraw/zinc/24/48/23/1081244823.db2.gz UFKYLXPWXKJDTB-RTWAWAEBSA-N 2 1 355.551 4.101 20 10 FICDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC001648819244 1081244834 /nfs/dbraw/zinc/24/48/34/1081244834.db2.gz UFKYLXPWXKJDTB-RTWAWAEBSA-N 2 1 355.551 4.101 20 10 FICDMP C[C@H]1CCC[NH+]1Cc1c(O)ccc2ccc(O)c(C[N@@H+]3CCC[C@@H]3C)c21 ZINC000173519731 1090519437 /nfs/dbraw/zinc/51/94/37/1090519437.db2.gz HLIFZMMNGSXWIA-HOTGVXAUSA-N 2 1 354.494 4.220 20 10 FICDMP COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000311779004 1088830251 /nfs/dbraw/zinc/83/02/51/1088830251.db2.gz HQVUEZVBHDPUSI-NVXWUHKLSA-N 2 1 374.912 4.054 20 10 FICDMP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000185469595 1090546618 /nfs/dbraw/zinc/54/66/18/1090546618.db2.gz CBFNDWJPADVXKS-SJORKVTESA-N 2 1 354.494 4.277 20 10 FICDMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001168164979 1101752604 /nfs/dbraw/zinc/75/26/04/1101752604.db2.gz GTMRBBWUSCQHCT-MRXNPFEDSA-N 2 1 358.913 4.231 20 10 FICDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762647977 1120945002 /nfs/dbraw/zinc/94/50/02/1120945002.db2.gz GSSKSFBKJIEIRO-NHCUHLMSSA-N 2 1 373.585 4.219 20 10 FICDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000185084385 1101687557 /nfs/dbraw/zinc/68/75/57/1101687557.db2.gz GDLINIUPZLHRQI-OAHLLOKOSA-N 2 1 362.477 4.011 20 10 FICDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000153467148 1120790072 /nfs/dbraw/zinc/79/00/72/1120790072.db2.gz UMJQSECMOUBEBB-SFHVURJKSA-N 2 1 354.494 4.004 20 10 FICDMP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000915683239 1121020839 /nfs/dbraw/zinc/02/08/39/1121020839.db2.gz YZSBFLYTDHWESZ-UPVQGACJSA-N 2 1 363.549 4.430 20 10 FICDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178697024 1093084679 /nfs/dbraw/zinc/08/46/79/1093084679.db2.gz XBXZJVGEESCQSF-IRXDYDNUSA-N 2 1 358.505 4.308 20 10 FICDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2c1 ZINC000157960182 1115412886 /nfs/dbraw/zinc/41/28/86/1115412886.db2.gz DGLPFROKKJJKPK-VGOFRKELSA-N 2 1 366.505 4.003 20 10 FICDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000157960182 1115412889 /nfs/dbraw/zinc/41/28/89/1115412889.db2.gz DGLPFROKKJJKPK-VGOFRKELSA-N 2 1 366.505 4.003 20 10 FICDMP COc1ccc2ccc(O)c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000157960182 1115412891 /nfs/dbraw/zinc/41/28/91/1115412891.db2.gz DGLPFROKKJJKPK-VGOFRKELSA-N 2 1 366.505 4.003 20 10 FICDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Br)cc1O ZINC000756363456 1124843825 /nfs/dbraw/zinc/84/38/25/1124843825.db2.gz OGGASJAXGGZZRA-UONOGXRCSA-N 2 1 355.320 4.070 20 10 FICDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(Br)cc1O ZINC000756363456 1124843834 /nfs/dbraw/zinc/84/38/34/1124843834.db2.gz OGGASJAXGGZZRA-UONOGXRCSA-N 2 1 355.320 4.070 20 10 FICDMP COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000311779008 1088829149 /nfs/dbraw/zinc/82/91/49/1088829149.db2.gz HQVUEZVBHDPUSI-RDJZCZTQSA-N 2 1 374.912 4.054 20 10 FICDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(C)cc3O)CC2)cs1 ZINC000185423362 1090541789 /nfs/dbraw/zinc/54/17/89/1090541789.db2.gz TWYBJRSAFNBJGW-MRXNPFEDSA-N 2 1 373.566 4.282 20 10 FICDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(C)c(C)c3O)CC2)oc1C ZINC000273615744 1096278627 /nfs/dbraw/zinc/27/86/27/1096278627.db2.gz XHHZJFNHWYRBIL-KRWDZBQOSA-N 2 1 371.525 4.177 20 10 FICDMP