smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(P(=O)([O-])[O-])c1[N+](=O)[O-] ZINC000026731377 179176226 /nfs/dbraw/zinc/17/62/26/179176226.db2.gz DLQIBCCFOWABRT-UHFFFAOYSA-N -2 0 217.117 0.706 1 5 BCBFRL