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(Nc1ccc(-c2cncc(NC(P(=O)([O-])O)[P@](=O)([O-])O)c2)cc1)C1CC1 ZINC000084739121 563178910 /nfs/dbraw/zinc/17/89/10/563178910.db2.gz VDTFOUMZKMJVQU-UHFFFAOYSA-N -2 2 427.290 2.148 1 0 IEAFLL O=C(Nc1ccc(-c2cncc(NC(P(=O)([O-])O)[P@@](=O)([O-])O)c2)cc1)C1CC1 ZINC000084739121 563178912 /nfs/dbraw/zinc/17/89/12/563178912.db2.gz VDTFOUMZKMJVQU-UHFFFAOYSA-N -2 2 427.290 2.148 1 0 IEAFLL