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-])C1=Cc2ccccc2C(=NNc2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)C1=O ZINC000012359007 526357710 /nfs/dbraw/zinc/35/77/10/526357710.db2.gz MVQBFZXBLLMXGS-FCQUAONHSA-N -3 3 438.417 4.765 10 10 IJCEHL