pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.55	OCHEM	1	0	COCCOCC[NH+](CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1	COCCOCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1	mol16640	COCCOCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1