pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.34	IUPAC digitized pKa	0	-1	N[C@@H](C[NH3+])C(=O)[O-],NC[C@H]([NH3+])C(=O)[O-]	NC[C@H](N)C(=O)[O-]	mol8522	NC[C@H](N)C(=O)O
9.21	AttenGpKa training set	0	-1	N[C@@H](C[NH3+])C(=O)[O-],NC[C@H]([NH3+])C(=O)[O-]	NC[C@H](N)C(=O)[O-]	mol8522	NC[C@H](N)C(=O)O
6.76	IUPAC digitized pKa	1	0	[NH3+]C[C@H]([NH3+])C(=O)[O-]	N[C@@H](C[NH3+])C(=O)[O-],NC[C@H]([NH3+])C(=O)[O-]	mol8522	NC[C@H](N)C(=O)O
1.59	IUPAC digitized pKa	2	1	[NH3+]C[C@H]([NH3+])C(=O)O	[NH3+]C[C@H]([NH3+])C(=O)[O-]	mol8522	NC[C@H](N)C(=O)O
2.19	AttenGpKa training set	2	1	[NH3+]C[C@H]([NH3+])C(=O)O	[NH3+]C[C@H]([NH3+])C(=O)[O-]	mol8522	NC[C@H](N)C(=O)O