pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.78	AttenGpKa training set	1	0	[NH3+]c1nc(-c2ccccc2)cs1,Nc1[nH+]c(-c2ccccc2)cs1	Nc1nc(-c2ccccc2)cs1	mol25444	Nc1nc(-c2ccccc2)cs1