pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.45	IUPAC digitized pKa	0	-1	C[N+](C)(C)CC[NH+](CC(=O)[O-])CC(=O)[O-],C[N+](C)(C)CCN(CC(=O)[O-])CC(=O)O	C[N+](C)(C)CCN(CC(=O)[O-])CC(=O)[O-]	mol11164	C[N+](C)(C)CCN(CC(=O)O)CC(=O)O
2.32	IUPAC digitized pKa	1	0	C[N+](C)(C)CCN(CC(=O)O)CC(=O)O,C[N+](C)(C)CC[NH+](CC(=O)[O-])CC(=O)O	C[N+](C)(C)CC[NH+](CC(=O)[O-])CC(=O)[O-],C[N+](C)(C)CCN(CC(=O)[O-])CC(=O)O	mol11164	C[N+](C)(C)CCN(CC(=O)O)CC(=O)O
2.3199999332428	QSARToolbox	1	0	C[N+](C)(C)CCN(CC(=O)O)CC(=O)O,C[N+](C)(C)CC[NH+](CC(=O)[O-])CC(=O)O	C[N+](C)(C)CC[NH+](CC(=O)[O-])CC(=O)[O-],C[N+](C)(C)CCN(CC(=O)[O-])CC(=O)O	mol11164	C[N+](C)(C)CCN(CC(=O)O)CC(=O)O