pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.09000015258789	QSARToolbox	1	0	Cc1ccc(S(=O)(=O)OC[C@H]2CC3CC[NH+]2CC3)cc1	Cc1ccc(S(=O)(=O)OC[C@H]2CC3CCN2CC3)cc1	mol24678	Cc1ccc(S(=O)(=O)OCC2CC3CCN2CC3)cc1
9.09	AttenGpKa training set	1	0	Cc1ccc(S(=O)(=O)OC[C@H]2CC3CC[NH+]2CC3)cc1	Cc1ccc(S(=O)(=O)OC[C@H]2CC3CCN2CC3)cc1	mol24678	Cc1ccc(S(=O)(=O)OCC2CC3CCN2CC3)cc1