smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc2nc(NC(=O)c3c/c(=N\NC(=O)C[N+](C)(C)C)c4ccc(O)cc4o3)sc2c1 ZINC000018037654 717113183 /nfs/dbraw/zinc/11/31/83/717113183.db2.gz CWDWZUQUXJAESB-UHFFFAOYSA-O 0 0 496.569 3.037 40 50 JGGBRN