pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	AttenGpKa training set	0	-1	Cn1cc([C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	Cn1cc([C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]c1=O	mol29685	Cn1cc([C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O