pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.08	Datawarrior	1	0	CCCC[NH+](CCCC)c1ccc([N+](=O)[O-])cc1	CCCCN(CCCC)c1ccc([N+](=O)[O-])cc1	mol14863	CCCCN(CCCC)c1ccc([N+](=O)[O-])cc1
1.08000004291534	QSARToolbox	1	0	CCCC[NH+](CCCC)c1ccc([N+](=O)[O-])cc1	CCCCN(CCCC)c1ccc([N+](=O)[O-])cc1	mol14863	CCCCN(CCCC)c1ccc([N+](=O)[O-])cc1