pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Datawarrior	1	0	CNC(=O)[C@@H]1CCCC[NH2+]1	CNC(=O)[C@@H]1CCCCN1	mol12992	CNC(=O)C1CCCCN1
8.8000002	OCHEM	1	0	CNC(=O)[C@@H]1CCCC[NH2+]1	CNC(=O)[C@@H]1CCCCN1	mol12992	CNC(=O)C1CCCCN1
8.80000019073486	QSARToolbox	1	0	CNC(=O)[C@@H]1CCCC[NH2+]1	CNC(=O)[C@@H]1CCCCN1	mol12992	CNC(=O)C1CCCCN1