pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	Nc1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCCO	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCO)c(N)c1	mol20944	Nc1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCCO