smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560018 554235970 /nfs/dbraw/zinc/23/59/70/554235970.db2.gz AMXUJIHSMANWDW-JOCHJYFZSA-N -2 2 483.413 3.693 40 0 JHABLL O=C([O-])[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560018 554235974 /nfs/dbraw/zinc/23/59/74/554235974.db2.gz AMXUJIHSMANWDW-JOCHJYFZSA-N -2 2 483.413 3.693 40 0 JHABLL