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(CO[P@](=O)([O-])O)N(O)CCCO ZINC000064437140 182000405 /nfs/dbraw/zinc/00/04/05/182000405.db2.gz IBLNNYVSIPKXRB-UHFFFAOYSA-N -3 2 229.125 -1.304 1 30 BAEFLL