pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.9	AttenGpKa training set	1	0	CNC(=N)CC[NH3+],CNC(=[NH2+])CCN	CNC(=N)CCN	mol28003	CNC(=N)CCN
7.53000020980835	QSARToolbox	2	1	CNC(=[NH2+])CC[NH3+]	CNC(=N)CC[NH3+],CNC(=[NH2+])CCN	mol28003	CNC(=N)CCN
7.53	AttenGpKa training set	2	1	CNC(=[NH2+])CC[NH3+]	CNC(=N)CC[NH3+],CNC(=[NH2+])CCN	mol28003	CNC(=N)CCN