smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NNC(=Cc1nc2ccccc2[nH]c1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005399881 717099045 /nfs/dbraw/zinc/09/90/45/717099045.db2.gz HOXVZYXXLIPCQQ-UHFFFAOYSA-O 1 0 466.478 1.191 50 50 JDGARO