pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.55	Hunt	1	0	CC[NH2+]CCC(=O)C(c1ccccc1)c1ccccc1	CCNCCC(=O)C(c1ccccc1)c1ccccc1	mol867	CCNCCC(=O)C(c1ccccc1)c1ccccc1
9.55000019073486	QSARToolbox	1	0	CC[NH2+]CCC(=O)C(c1ccccc1)c1ccccc1	CCNCCC(=O)C(c1ccccc1)c1ccccc1	mol867	CCNCCC(=O)C(c1ccccc1)c1ccccc1