pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	AttenGpKa training set	0	-1	C[C@@H](O)CCn1nc(O)c2ccccc2c1=O	C[C@@H](O)CCn1nc([O-])c2ccccc2c1=O	mol24864	CC(O)CCn1nc(O)c2ccccc2c1=O