pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89999961853027	QSARToolbox	0	-1	N[C@@H](CO)C(=O)NO	N[C@@H](CO)C(=O)N[O-],N[C@@H](CO)C(=O)[N-]O	mol31393	NC(CO)C(=O)NO
8.97	AttenGpKa training set	0	-1	N[C@@H](CO)C(=O)NO	N[C@@H](CO)C(=O)N[O-],N[C@@H](CO)C(=O)[N-]O	mol31393	NC(CO)C(=O)NO
6.76999998092651	QSARToolbox	1	0	[NH3+][C@@H](CO)C(=O)NO	N[C@@H](CO)C(=O)NO	mol31393	NC(CO)C(=O)NO
6.775	AttenGpKa training set	1	0	[NH3+][C@@H](CO)C(=O)NO	N[C@@H](CO)C(=O)NO	mol31393	NC(CO)C(=O)NO
12.7200002670288	QSARToolbox	-1	-2	N[C@@H](CO)C(=O)N[O-],N[C@@H](CO)C(=O)[N-]O	N[C@@H](CO)C(=O)[N-][O-],N[C@@H](C[O-])C(=O)[N-]O	mol31393	NC(CO)C(=O)NO