smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccc([S-])c([S-])c1 ZINC000002570047 166383073 /nfs/dbraw/zinc/38/30/73/166383073.db2.gz RDLVSWJHDFENPL-UHFFFAOYSA-N -2 0 198.356 3.562 10 0 AHAERL