pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.2	OCHEM	0	-1	Cc1ccc(OS(N)(=O)=O)cc1	Cc1ccc(OS([NH-])(=O)=O)cc1	mol28349	Cc1ccc(OS(N)(=O)=O)cc1
8.34	AttenGpKa training set	0	-1	Cc1ccc(OS(N)(=O)=O)cc1	Cc1ccc(OS([NH-])(=O)=O)cc1	mol28349	Cc1ccc(OS(N)(=O)=O)cc1