pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	AttenGpKa training set	1	0	c1ccc(C[NH+](Cc2ccccc2)c2ccccc2)cc1	c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1	mol24109	c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1