pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.10999989509583	QSARToolbox	0	-1	C[NH2+]c1ccc(S(=O)(=O)[O-])cc1,CNc1ccc(S(=O)(=O)O)cc1	CNc1ccc(S(=O)(=O)[O-])cc1	mol33974	CNc1ccc(S(=O)(=O)O)cc1
3.3199999332428	QSARToolbox	0	-1	C[NH2+]c1ccc(S(=O)(=O)[O-])cc1,CNc1ccc(S(=O)(=O)O)cc1	CNc1ccc(S(=O)(=O)[O-])cc1	mol33974	CNc1ccc(S(=O)(=O)O)cc1
3.55999994277954	QSARToolbox	0	-1	C[NH2+]c1ccc(S(=O)(=O)[O-])cc1,CNc1ccc(S(=O)(=O)O)cc1	CNc1ccc(S(=O)(=O)[O-])cc1	mol33974	CNc1ccc(S(=O)(=O)O)cc1