smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)N=C(O)N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000019418232 202007727 /nfs/dbraw/zinc/00/77/27/202007727.db2.gz CUJCKXLDNARMGN-UHFFFAOYSA-N -2 2 330.318 0.069 40 30 ECEBLL