pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.27	IUPAC digitized pKa	0	-1	C[C@@H](C#N)CC([N+](=O)[O-])[N+](=O)[O-]	C[C@@H](C#N)C[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9400	CC(C#N)CC([N+](=O)[O-])[N+](=O)[O-]