pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.80999994277954	QSARToolbox	0	-1	CC[NH2+]c1ccc(S(=O)(=O)[O-])cc1,CCNc1ccc(S(=O)(=O)O)cc1	CCNc1ccc(S(=O)(=O)[O-])cc1	mol35833	CCNc1ccc(S(=O)(=O)O)cc1
3.5699999332428	QSARToolbox	0	-1	CC[NH2+]c1ccc(S(=O)(=O)[O-])cc1,CCNc1ccc(S(=O)(=O)O)cc1	CCNc1ccc(S(=O)(=O)[O-])cc1	mol35833	CCNc1ccc(S(=O)(=O)O)cc1
3.35999989509583	QSARToolbox	0	-1	CC[NH2+]c1ccc(S(=O)(=O)[O-])cc1,CCNc1ccc(S(=O)(=O)O)cc1	CCNc1ccc(S(=O)(=O)[O-])cc1	mol35833	CCNc1ccc(S(=O)(=O)O)cc1