smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)cc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1 ZINC000520850469 331991311 /nfs/dbraw/zinc/99/13/11/331991311.db2.gz PSXYLRXLGOAEIH-UHFFFAOYSA-N -1 1 300.361 4.772 20 5 DJBDMM