smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccn([C@@H]2CO[C@H](CO[P@@](=O)([O-])O[C@H]3C[C@H](n4cnc5c4ncnc5N)O[C@@H]3COP(=O)([O-])[O-])[C@H]2O)c(=O)n1 ZINC000161043781 562849158 /nfs/dbraw/zinc/84/91/58/562849158.db2.gz LPGFNCONVZCCCG-PMTXTEDRSA-N -3 0 620.409 -1.553 1 70 KAIFRL