pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.16	AttenGpKa training set	1	0	[NH3+]CCc1nc(-c2ccccc2)cs1	NCCc1nc(-c2ccccc2)cs1	mol25510	NCCc1nc(-c2ccccc2)cs1