pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.14	AttenGpKa training set	1	0	[NH3+]CCn1nnc2ccccc21	NCCn1nnc2ccccc21	mol26428	NCCn1nnc2ccccc21