pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	IUPAC digitized pKa	0	-1	CCCCCC([N+](=O)[O-])[N+](=O)[O-]	CCCCC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9818	CCCCCC([N+](=O)[O-])[N+](=O)[O-]
5.41	IUPAC digitized pKa	0	-1	CCCCCC([N+](=O)[O-])[N+](=O)[O-]	CCCCC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9818	CCCCCC([N+](=O)[O-])[N+](=O)[O-]
5.23	IUPAC digitized pKa	0	-1	CCCCCC([N+](=O)[O-])[N+](=O)[O-]	CCCCC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9818	CCCCCC([N+](=O)[O-])[N+](=O)[O-]
5.07	IUPAC digitized pKa	0	-1	CCCCCC([N+](=O)[O-])[N+](=O)[O-]	CCCCC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9818	CCCCCC([N+](=O)[O-])[N+](=O)[O-]
5.5	Datawarrior	0	-1	CCCCCC([N+](=O)[O-])[N+](=O)[O-]	CCCCC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9818	CCCCCC([N+](=O)[O-])[N+](=O)[O-]