pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	IUPAC digitized pKa	0	-1	CCCCCCCCC([N+](=O)[O-])[N+](=O)[O-]	CCCCCCCC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol11103	CCCCCCCCC([N+](=O)[O-])[N+](=O)[O-]
5.46	AttenGpKa training set	0	-1	CCCCCCCCC([N+](=O)[O-])[N+](=O)[O-]	CCCCCCCC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol11103	CCCCCCCCC([N+](=O)[O-])[N+](=O)[O-]