pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.05999994277954	QSARToolbox	0	-1	N#CC[NH+](CC(=O)[O-])CC(=O)O,N#CCN(CC(=O)O)CC(=O)O	N#CC[NH+](CC(=O)[O-])CC(=O)[O-],N#CCN(CC(=O)[O-])CC(=O)O	mol29402	N#CCN(CC(=O)O)CC(=O)O
3.06	AttenGpKa training set	0	-1	N#CC[NH+](CC(=O)[O-])CC(=O)O,N#CCN(CC(=O)O)CC(=O)O	N#CC[NH+](CC(=O)[O-])CC(=O)[O-],N#CCN(CC(=O)[O-])CC(=O)O	mol29402	N#CCN(CC(=O)O)CC(=O)O
4.34	AttenGpKa training set	0	-1	N#CC[NH+](CC(=O)[O-])CC(=O)O,N#CCN(CC(=O)O)CC(=O)O	N#CC[NH+](CC(=O)[O-])CC(=O)[O-],N#CCN(CC(=O)[O-])CC(=O)O	mol29402	N#CCN(CC(=O)O)CC(=O)O