pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.13000011444092	QSARToolbox	0	-1	CC(C)C[C@@H](NC(=O)C[NH3+])C(=O)[O-]	CC(C)C[C@@H](NC(=O)CN)C(=O)[O-]	mol34088	CC(C)CC(NC(=O)CN)C(=O)O
3.1800000667572	QSARToolbox	1	0	CC(C)C[C@@H](NC(=O)C[NH3+])C(=O)O	CC(C)C[C@@H](NC(=O)C[NH3+])C(=O)[O-]	mol34088	CC(C)CC(NC(=O)CN)C(=O)O
3.09999990463257	QSARToolbox	1	0	CC(C)C[C@@H](NC(=O)C[NH3+])C(=O)O	CC(C)C[C@@H](NC(=O)C[NH3+])C(=O)[O-]	mol34088	CC(C)CC(NC(=O)CN)C(=O)O