pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05	Datawarrior	1	0	CC[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1	CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1	mol14881	CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1
8.0500002	OCHEM	1	0	CC[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1	CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1	mol14881	CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1
8.05000019073486	QSARToolbox	1	0	CC[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1	CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1	mol14881	CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1
7.94000005722046	QSARToolbox	1	0	CC[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1	CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1	mol14881	CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1