pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	AttenGpKa training set	1	0	[NH3+]c1c(O)ccc2ccccc12	Nc1c(O)ccc2ccccc12	mol30548	Nc1c(O)ccc2ccccc12