pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.90000009536743	QSARToolbox	0	-1	Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)cc1	Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)O)cc1,Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)[O-])cc1	mol35679	Cc1ccc(S(=O)(=O)NC(CCC(=O)O)C(=O)O)cc1