pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	OCHEM	1	0	CC(C)C[NH2+]Cc1cc2sc(S(N)(=O)=O)cc2s1	CC(C)CNCc1cc2sc(S(N)(=O)=O)cc2s1	mol16616	CC(C)CNCc1cc2sc(S(N)(=O)=O)cc2s1