smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000217714308 542878038 /nfs/dbraw/zinc/87/80/38/542878038.db2.gz BRVMAULZVAOCJR-UHFFFAOYSA-N -2 1 320.370 2.617 40 70 DFIBML