pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.752	IUPAC digitized pKa	1	0	CC[NH+](CC)c1ccc(S(N)(=O)=O)cc1,CCN(CC)c1ccc(S([NH3+])(=O)=O)cc1	CCN(CC)c1ccc(S(N)(=O)=O)cc1	mol3343	CCN(CC)c1ccc(S(N)(=O)=O)cc1
1.75199997425079	QSARToolbox	1	0	CC[NH+](CC)c1ccc(S(N)(=O)=O)cc1,CCN(CC)c1ccc(S([NH3+])(=O)=O)cc1	CCN(CC)c1ccc(S(N)(=O)=O)cc1	mol3343	CCN(CC)c1ccc(S(N)(=O)=O)cc1