smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1ccc(-c2ccc(-c3ccc([S-])cc3)cc2)cc1 ZINC000044559476 175204389 /nfs/dbraw/zinc/20/43/89/175204389.db2.gz HSAKNFPXLQYFIJ-UHFFFAOYSA-N -2 0 294.444 5.598 50 0 CKAARL