pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.98	IUPAC digitized pKa	1	0	CN([NH3+])c1ccccc1,C[NH+](N)c1ccccc1	CN(N)c1ccccc1	mol8865	CN(N)c1ccccc1
4.98000001907349	QSARToolbox	1	0	CN([NH3+])c1ccccc1,C[NH+](N)c1ccccc1	CN(N)c1ccccc1	mol8865	CN(N)c1ccccc1
-4.8	AttenGpKa training set	2	1	C[NH+]([NH3+])c1ccccc1	CN([NH3+])c1ccccc1,C[NH+](N)c1ccccc1	mol8865	CN(N)c1ccccc1