pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.52	IUPAC digitized pKa	1	0	c1ccc(C[NH2+]Cc2ccccc2)cc1	c1ccc(CNCc2ccccc2)cc1	mol2182	c1ccc(CNCc2ccccc2)cc1
8.475	AttenGpKa training set	1	0	c1ccc(C[NH2+]Cc2ccccc2)cc1	c1ccc(CNCc2ccccc2)cc1	mol2182	c1ccc(CNCc2ccccc2)cc1