pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.55	IUPAC digitized pKa	0	-1	[NH3+][C@@H](Cc1c[nH]nn1)C(=O)[O-]	N[C@@H](Cc1c[nH]nn1)C(=O)[O-]	mol8445	N[C@@H](Cc1c[nH]nn1)C(=O)O
1.7	IUPAC digitized pKa	2	1	[NH3+][C@@H](Cc1c[nH][nH+][nH+]1)C(=O)[O-],[NH3+][C@@H](Cc1c[nH]n[nH+]1)C(=O)O,N[C@@H](Cc1c[nH][nH+][nH+]1)C(=O)O,[NH3+][C@@H](Cc1c[nH][nH+]n1)C(=O)O	[NH3+][C@@H](Cc1c[nH]nn1)C(=O)O	mol8445	N[C@@H](Cc1c[nH]nn1)C(=O)O
1.95	IUPAC digitized pKa	2	1	[NH3+][C@@H](Cc1c[nH][nH+][nH+]1)C(=O)[O-],[NH3+][C@@H](Cc1c[nH]n[nH+]1)C(=O)O,N[C@@H](Cc1c[nH][nH+][nH+]1)C(=O)O,[NH3+][C@@H](Cc1c[nH][nH+]n1)C(=O)O	[NH3+][C@@H](Cc1c[nH]nn1)C(=O)O	mol8445	N[C@@H](Cc1c[nH]nn1)C(=O)O