pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.23	IUPAC digitized pKa	1	0	CC(=O)[C@@H](C[NH+]1CCOCC1)c1ccccc1	CC(=O)[C@@H](CN1CCOCC1)c1ccccc1	mol3941	CC(=O)C(CN1CCOCC1)c1ccccc1
6.23000001907349	QSARToolbox	1	0	CC(=O)[C@@H](C[NH+]1CCOCC1)c1ccccc1	CC(=O)[C@@H](CN1CCOCC1)c1ccccc1	mol3941	CC(=O)C(CN1CCOCC1)c1ccccc1