pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	IUPAC digitized pKa	1	0	CC(=O)[C@H](C[NH+]1CCCCC1)c1ccccc1	CC(=O)[C@H](CN1CCCCC1)c1ccccc1	mol3563	CC(=O)C(CN1CCCCC1)c1ccccc1
8.80000019073486	QSARToolbox	1	0	CC(=O)[C@H](C[NH+]1CCCCC1)c1ccccc1	CC(=O)[C@H](CN1CCCCC1)c1ccccc1	mol3563	CC(=O)C(CN1CCCCC1)c1ccccc1