pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21000003814697	QSARToolbox	0	-1	O=S1(=O)OC(c2cc(I)c(O)c(I)c2)(c2cc(I)c(O)c(I)c2)c2ccccc21	O=S1(=O)OC(c2cc(I)c([O-])c(I)c2)(c2cc(I)c(O)c(I)c2)c2ccccc21	mol33913	O=S1(=O)OC(c2cc(I)c(O)c(I)c2)(c2cc(I)c(O)c(I)c2)c2ccccc21
2.19000005722046	QSARToolbox	0	-1	O=S1(=O)OC(c2cc(I)c(O)c(I)c2)(c2cc(I)c(O)c(I)c2)c2ccccc21	O=S1(=O)OC(c2cc(I)c([O-])c(I)c2)(c2cc(I)c(O)c(I)c2)c2ccccc21	mol33913	O=S1(=O)OC(c2cc(I)c(O)c(I)c2)(c2cc(I)c(O)c(I)c2)c2ccccc21