pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.05	OCHEM	0	-1	[NH3+][C@H](Cc1ccc(F)cc1)C(=O)[O-]	N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	mol33066	NC(Cc1ccc(F)cc1)C(=O)O
9.5	QSARToolbox	0	-1	[NH3+][C@H](Cc1ccc(F)cc1)C(=O)[O-]	N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	mol33066	NC(Cc1ccc(F)cc1)C(=O)O
2.13	OCHEM	1	0	[NH3+][C@H](Cc1ccc(F)cc1)C(=O)O	[NH3+][C@H](Cc1ccc(F)cc1)C(=O)[O-]	mol33066	NC(Cc1ccc(F)cc1)C(=O)O
2.13000011444092	QSARToolbox	1	0	[NH3+][C@H](Cc1ccc(F)cc1)C(=O)O	[NH3+][C@H](Cc1ccc(F)cc1)C(=O)[O-]	mol33066	NC(Cc1ccc(F)cc1)C(=O)O