smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)c2cc(Br)cc(Br)c2nc1SCC(=O)[O-] ZINC000004294398 569071205 /nfs/dbraw/zinc/07/12/05/569071205.db2.gz NDQLDRGTCJCZLE-UHFFFAOYSA-N -1 0 408.071 2.635 30 0 HFACRM