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(=O)(=O)[N-]c2ccc(O)c3ccccc23)cc1 ZINC000000834447 570459465 /nfs/dbraw/zinc/45/94/65/570459465.db2.gz BKEZPAKTGANESH-UHFFFAOYSA-N -2 1 355.459 4.644 50 10 FJCAML