pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.78999996185303	QSARToolbox	0	-1	C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-]	C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)[O-]	mol37096	C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O
3.26999998092651	QSARToolbox	1	0	C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)O	C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-]	mol37096	C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O