pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.13000011444092	QSARToolbox	1	0	[NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)O	[NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	mol35227	NC(Cc1ccccc1)C(=O)NCC(=O)O
3.09999990463257	QSARToolbox	1	0	[NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)O	[NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	mol35227	NC(Cc1ccccc1)C(=O)NCC(=O)O