pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.48	OCHEM	1	0	COCC[NH+](CCOC)Cc1cc2sc(S(N)(=O)=O)cc2s1	COCCN(CCOC)Cc1cc2sc(S(N)(=O)=O)cc2s1	mol16631	COCCN(CCOC)Cc1cc2sc(S(N)(=O)=O)cc2s1