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-])c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccccc1 ZINC000025357584 526398133 /nfs/dbraw/zinc/39/81/33/526398133.db2.gz VDCMXJABFYGCOV-FYJGNVAPSA-N -1 2 440.437 3.540 10 30 IHEELM