pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.28	IUPAC digitized pKa	1	0	O=N[NH+](CC(=O)O)CC(=O)O	O=N[NH+](CC(=O)[O-])CC(=O)O,O=NN(CC(=O)O)CC(=O)O	mol9200	O=NN(CC(=O)O)CC(=O)O
2.27999997138977	QSARToolbox	1	0	O=N[NH+](CC(=O)O)CC(=O)O	O=N[NH+](CC(=O)[O-])CC(=O)O,O=NN(CC(=O)O)CC(=O)O	mol9200	O=NN(CC(=O)O)CC(=O)O
3.38	AttenGpKa training set	1	0	O=N[NH+](CC(=O)O)CC(=O)O	O=N[NH+](CC(=O)[O-])CC(=O)O,O=NN(CC(=O)O)CC(=O)O	mol9200	O=NN(CC(=O)O)CC(=O)O
3.38	IUPAC digitized pKa	-1	-2	O=N[NH+](CC(=O)[O-])CC(=O)[O-]	O=NN(CC(=O)[O-])CC(=O)[O-]	mol9200	O=NN(CC(=O)O)CC(=O)O