pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.77	Organic Oxygen Acids and Nitrogen Bases	0	-1	CNc1ccc(S(N)(=O)=O)cc1	CNc1ccc(S([NH-])(=O)=O)cc1	mol21809	CNc1ccc(S(N)(=O)=O)cc1
11.0	AttenGpKa training set	0	-1	CNc1ccc(S(N)(=O)=O)cc1	CNc1ccc(S([NH-])(=O)=O)cc1	mol21809	CNc1ccc(S(N)(=O)=O)cc1