pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.95	IUPAC digitized pKa	0	-1	[NH3+][C@@H](Cc1cc[nH]n1)C(=O)[O-]	N[C@@H](Cc1cc[nH]n1)C(=O)[O-]	mol8444	N[C@@H](Cc1cc[nH]n1)C(=O)O
1.9	IUPAC digitized pKa	2	1	[NH3+][C@@H](Cc1cc[nH][nH+]1)C(=O)O	[NH3+][C@@H](Cc1cc[nH]n1)C(=O)O	mol8444	N[C@@H](Cc1cc[nH]n1)C(=O)O
2.1	IUPAC digitized pKa	2	1	[NH3+][C@@H](Cc1cc[nH][nH+]1)C(=O)O	[NH3+][C@@H](Cc1cc[nH]n1)C(=O)O	mol8444	N[C@@H](Cc1cc[nH]n1)C(=O)O