pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	Datawarrior	0	-1	CCCCCCC([N+](=O)[O-])[N+](=O)[O-]	CCCCCC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol10265	CCCCCCC([N+](=O)[O-])[N+](=O)[O-]
5.46	AttenGpKa training set	0	-1	CCCCCCC([N+](=O)[O-])[N+](=O)[O-]	CCCCCC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol10265	CCCCCCC([N+](=O)[O-])[N+](=O)[O-]