pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	IUPAC digitized pKa	0	-1	O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I	O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I	mol11128	O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I
8.25	AttenGpKa training set	0	-1	O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I	O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I	mol11128	O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I