smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C(N[C@@H]2CCCC[C@@H]2NCC[NH2+][C@H]2CCCC[C@@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000160937733 562849121 /nfs/dbraw/zinc/84/91/21/562849121.db2.gz INMAEUFTSXWEFD-YUZLDYPQSA-N 1 3 739.064 9.951 1 70 KKIFHO c1ccc(C(N[C@@H]2CCCC[C@@H]2[NH2+]CCN[C@H]2CCCC[C@@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000160937733 562849122 /nfs/dbraw/zinc/84/91/22/562849122.db2.gz INMAEUFTSXWEFD-YUZLDYPQSA-N 1 3 739.064 9.951 1 70 KKIFHO c1ccc(C(N[C@@H]2CCCC[C@@H]2NCC[NH2+][C@H]2CCCC[C@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000160937851 562849091 /nfs/dbraw/zinc/84/90/91/562849091.db2.gz INMAEUFTSXWEFD-NDQIPAMZSA-N 1 3 739.064 9.951 1 70 KKIFHO c1ccc(C(N[C@@H]2CCCC[C@H]2NCC[NH2+][C@H]2CCCC[C@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000160937978 562849097 /nfs/dbraw/zinc/84/90/97/562849097.db2.gz INMAEUFTSXWEFD-UXRWXGLSSA-N 1 3 739.064 9.951 1 70 KKIFHO c1ccc(C(N[C@@H]2CCCC[C@H]2[NH2+]CCN[C@H]2CCCC[C@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000160937978 562849098 /nfs/dbraw/zinc/84/90/98/562849098.db2.gz INMAEUFTSXWEFD-UXRWXGLSSA-N 1 3 739.064 9.951 1 70 KKIFHO