pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.08	IUPAC digitized pKa	1	0	CC[NH+](CC)CCC(C#N)(c1ccccc1)c1ccccc1	CCN(CC)CCC(C#N)(c1ccccc1)c1ccccc1	mol887	CCN(CC)CCC(C#N)(c1ccccc1)c1ccccc1
9.80000019073486	QSARToolbox	1	0	CC[NH+](CC)CCC(C#N)(c1ccccc1)c1ccccc1	CCN(CC)CCC(C#N)(c1ccccc1)c1ccccc1	mol887	CCN(CC)CCC(C#N)(c1ccccc1)c1ccccc1