pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.57999992370605	QSARToolbox	1	0	Cc1ccccc1[NH+](CC(=O)O)CC(=O)O	Cc1ccccc1N(CC(=O)O)CC(=O)O,Cc1ccccc1[NH+](CC(=O)[O-])CC(=O)O	mol22626	Cc1ccccc1N(CC(=O)O)CC(=O)O
2.68	AttenGpKa training set	1	0	Cc1ccccc1[NH+](CC(=O)O)CC(=O)O	Cc1ccccc1N(CC(=O)O)CC(=O)O,Cc1ccccc1[NH+](CC(=O)[O-])CC(=O)O	mol22626	Cc1ccccc1N(CC(=O)O)CC(=O)O
2.58	AttenGpKa training set	1	0	Cc1ccccc1[NH+](CC(=O)O)CC(=O)O	Cc1ccccc1N(CC(=O)O)CC(=O)O,Cc1ccccc1[NH+](CC(=O)[O-])CC(=O)O	mol22626	Cc1ccccc1N(CC(=O)O)CC(=O)O
5.65	AttenGpKa training set	-1	-2	Cc1ccccc1N(CC(=O)[O-])CC(=O)O,Cc1ccccc1[NH+](CC(=O)[O-])CC(=O)[O-]	Cc1ccccc1N(CC(=O)[O-])CC(=O)[O-]	mol22626	Cc1ccccc1N(CC(=O)O)CC(=O)O