pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.19	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	mol29936	O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I