smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CNC(=S)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000058506335 184121018 /nfs/dbraw/zinc/12/10/18/184121018.db2.gz QVBOLIMKPDLBDG-UHFFFAOYSA-N 0 2 302.355 3.074 1 5 DGBFLN