pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.85	IUPAC digitized pKa	0	-1	CN1C(=O)NC(=O)[C@@H]([NH+](CC(=O)[O-])CC(=O)O)C1=O,CN1C(=O)NC(=O)[C@@H](N(CC(=O)O)CC(=O)O)C1=O	CN1C(=O)NC(=O)[C@@H]([NH+](CC(=O)[O-])CC(=O)[O-])C1=O,CN1C(=O)NC(=O)[C@@H](N(CC(=O)[O-])CC(=O)O)C1=O	mol11057	CN1C(=O)NC(=O)C(N(CC(=O)O)CC(=O)O)C1=O
2.67	IUPAC digitized pKa	-1	-2	CN1C(=O)NC(=O)[C@@H]([NH+](CC(=O)[O-])CC(=O)[O-])C1=O,CN1C(=O)NC(=O)[C@@H](N(CC(=O)[O-])CC(=O)O)C1=O	CN1C(=O)NC(=O)[C@@H](N(CC(=O)[O-])CC(=O)[O-])C1=O	mol11057	CN1C(=O)NC(=O)C(N(CC(=O)O)CC(=O)O)C1=O
9.81	IUPAC digitized pKa	-2	-3	CN1C(=O)NC(=O)[C@@H](N(CC(=O)[O-])CC(=O)[O-])C1=O	Cn1c(=O)[nH]c(=O)[c-](N(CC(=O)[O-])CC(=O)[O-])c1=O,CN1C(=O)[N-]C(=O)[C@@H](N(CC(=O)[O-])CC(=O)[O-])C1=O	mol11057	CN1C(=O)NC(=O)C(N(CC(=O)O)CC(=O)O)C1=O