pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.5	QSARToolbox	-1	-2	O=C([O-])CN1CCC[NH+](CC(=O)[O-])CCOCC1	O=C([O-])CN1CCCN(CC(=O)[O-])CCOCC1	mol38316	O=C(O)CN1CCCN(CC(=O)O)CCOCC1