pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.15999984741211	QSARToolbox	0	-1	CC(C)Nc1ccc(S(=O)(=O)O)cc1,CC(C)[NH2+]c1ccc(S(=O)(=O)[O-])cc1	CC(C)Nc1ccc(S(=O)(=O)[O-])cc1	mol34491	CC(C)Nc1ccc(S(=O)(=O)O)cc1
3.92000007629395	QSARToolbox	0	-1	CC(C)Nc1ccc(S(=O)(=O)O)cc1,CC(C)[NH2+]c1ccc(S(=O)(=O)[O-])cc1	CC(C)Nc1ccc(S(=O)(=O)[O-])cc1	mol34491	CC(C)Nc1ccc(S(=O)(=O)O)cc1
3.70000004768372	QSARToolbox	0	-1	CC(C)Nc1ccc(S(=O)(=O)O)cc1,CC(C)[NH2+]c1ccc(S(=O)(=O)[O-])cc1	CC(C)Nc1ccc(S(=O)(=O)[O-])cc1	mol34491	CC(C)Nc1ccc(S(=O)(=O)O)cc1