pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.08	AttenGpKa training set	1	0	C1=C[NH2+][C@@H](Cc2ccccc2)C1	C1=CN[C@@H](Cc2ccccc2)C1	mol24566	C1=CNC(Cc2ccccc2)C1