smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004097235 560194504 /nfs/dbraw/zinc/19/45/04/560194504.db2.gz IDPOSZGKQSRDFE-CCEZHUSRSA-N -2 0 306.299 3.047 10 10 in-vitro DGCERL