pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17	IUPAC digitized pKa	0	-1	O=S(=O)([O-])c1cc(I)c2ccc[nH+]c2c1O,O=S(=O)(O)c1cc(I)c2cccnc2c1O	O=S(=O)([O-])c1cc(I)c2cccnc2c1O	mol11169	O=S(=O)(O)c1cc(I)c2cccnc2c1O
2.99	IUPAC digitized pKa	0	-1	O=S(=O)([O-])c1cc(I)c2ccc[nH+]c2c1O,O=S(=O)(O)c1cc(I)c2cccnc2c1O	O=S(=O)([O-])c1cc(I)c2cccnc2c1O	mol11169	O=S(=O)(O)c1cc(I)c2cccnc2c1O
8.66	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1cc(I)c2cccnc2c1O	O=S(=O)([O-])c1cc(I)c2cccnc2c1[O-]	mol11169	O=S(=O)(O)c1cc(I)c2cccnc2c1O
6.49	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1cc(I)c2cccnc2c1O	O=S(=O)([O-])c1cc(I)c2cccnc2c1[O-]	mol11169	O=S(=O)(O)c1cc(I)c2cccnc2c1O