pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.69	AttenGpKa training set	0	-1	Cc1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	Cc1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)[n-]c1=O	mol29643	Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O