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)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)s1 ZINC000312843658 1091642554 /nfs/dbraw/zinc/64/25/54/1091642554.db2.gz PKQGHNRISJEOQO-UHFFFAOYSA-N -2 0 352.264 4.178 20 10 FICDRL