smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCc1ccc(NC(P(=O)([O-])O)[P@@](=O)([O-])O)cc1 ZINC000053267700 221045112 /nfs/dbraw/zinc/04/51/12/221045112.db2.gz IGHWTRWWSFAETJ-UHFFFAOYSA-N -2 2 365.303 3.250 10 30 FGEELL CCCCCCCc1ccc(NC(P(=O)([O-])O)[P@](=O)([O-])O)cc1 ZINC000053267700 221045117 /nfs/dbraw/zinc/04/51/17/221045117.db2.gz IGHWTRWWSFAETJ-UHFFFAOYSA-N -2 2 365.303 3.250 10 30 FGEELL