pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	AttenGpKa training set	0	-1	C[S@+]([O-])c1ccccc1C(=O)O	C[S@+]([O-])c1ccccc1C(=O)[O-]	mol22774	C[S+]([O-])c1ccccc1C(=O)O