smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(CCl)[N-]c1nn[n-]n1 709813504 1442343735 /nfs/dbraw/zinc/34/37/35/1442343735.db2.gz FQESLPVNCCJRHK-UHFFFAOYSA-N -2 0 197.607 -0.862 10 50 ABGERL