pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.96	IUPAC digitized pKa	0	-1	CC[C@@H](CC([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	CC[C@@H](C[C-]([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	mol9440	CCC(CC([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]