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([N-]n1c(=O)[n-][nH]c1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000816731054 582481805 /nfs/dbraw/zinc/48/18/05/582481805.db2.gz ZIKVFXQAQOKFRU-UHFFFAOYSA-N -2 2 281.184 -0.313 20 5 CBBDLL