pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4866	OCHEM	0	-1	NC(=O)NCCC(=O)O	NC(=O)NCCC(=O)[O-]	mol29417	NC(=O)NCCC(=O)O
4.49	AttenGpKa training set	0	-1	NC(=O)NCCC(=O)O	NC(=O)NCCC(=O)[O-]	mol29417	NC(=O)NCCC(=O)O