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-])c1cc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)ccc1Cl ZINC000038646089 257129465 /nfs/dbraw/zinc/12/94/65/257129465.db2.gz DGIVHDSCMQYEDB-WUKNDPDISA-N -2 0 320.688 3.857 10 10 DHCERL