smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000027769069 561884868 /nfs/dbraw/zinc/88/48/68/561884868.db2.gz FNGKRXSGMSBUQW-CNVLFFCLSA-N -1 2 561.616 3.737 10 0 KHAELM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000027769069 561884866 /nfs/dbraw/zinc/88/48/66/561884866.db2.gz FNGKRXSGMSBUQW-CNVLFFCLSA-N -1 2 561.616 3.737 10 0 KHAELM