pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.94	OCHEM	0	-1	[NH3+][C@@H](Cc1ccccc1Cl)C(=O)[O-]	N[C@@H](Cc1ccccc1Cl)C(=O)[O-]	mol33067	NC(Cc1ccccc1Cl)C(=O)O
8.9399995803833	QSARToolbox	0	-1	[NH3+][C@@H](Cc1ccccc1Cl)C(=O)[O-]	N[C@@H](Cc1ccccc1Cl)C(=O)[O-]	mol33067	NC(Cc1ccccc1Cl)C(=O)O
2.23	OCHEM	1	0	[NH3+][C@@H](Cc1ccccc1Cl)C(=O)O	[NH3+][C@@H](Cc1ccccc1Cl)C(=O)[O-]	mol33067	NC(Cc1ccccc1Cl)C(=O)O
2.23000001907349	QSARToolbox	1	0	[NH3+][C@@H](Cc1ccccc1Cl)C(=O)O	[NH3+][C@@H](Cc1ccccc1Cl)C(=O)[O-]	mol33067	NC(Cc1ccccc1Cl)C(=O)O