pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.65000009536743	QSARToolbox	-1	-2	Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)[O-])cc1,Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)O)cc1	Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	mol35678	Cc1ccc(S(=O)(=O)NC(CC(=O)O)C(=O)O)cc1