pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.11	OCHEM	1	0	CC[NH+](CC)c1ccc(N=O)cc1	CCN(CC)c1ccc(N=O)cc1	mol3342	CCN(CC)c1ccc(N=O)cc1
4.1100001335144	QSARToolbox	1	0	CC[NH+](CC)c1ccc(N=O)cc1	CCN(CC)c1ccc(N=O)cc1	mol3342	CCN(CC)c1ccc(N=O)cc1