pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.47	Baltruschat ChEMBL	0	-1	CCCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1	CCCCCOC(=O)c1ccc(OS([NH-])(=O)=O)cc1	mol17239	CCCCCOC(=O)c1ccc(OS(N)(=O)=O)cc1