pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.35	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1ccc(CC([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(C[C-]([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1	mol10511	O=[N+]([O-])c1ccc(CC([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1