pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	IUPAC digitized pKa	1	0	[NH3+]c1cnn(-c2ccccc2)c1,Nc1c[nH+]n(-c2ccccc2)c1	Nc1cnn(-c2ccccc2)c1	mol6797	Nc1cnn(-c2ccccc2)c1
4.73	AttenGpKa training set	1	0	[NH3+]c1cnn(-c2ccccc2)c1,Nc1c[nH+]n(-c2ccccc2)c1	Nc1cnn(-c2ccccc2)c1	mol6797	Nc1cnn(-c2ccccc2)c1