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([N+](=O)[O-])cc2cccc(I)c21 ZINC001772768896 1441417302 /nfs/dbraw/zinc/41/73/02/1441417302.db2.gz UIAOTQIOWXPHLL-UHFFFAOYSA-N -1 0 343.076 3.051 30 5 EGBCRM