pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.32	AttenGpKa training set	1	0	C[NH2+]C12CCN(CC1)CC2,CNC12CC[NH+](CC1)CC2	CNC12CCN(CC1)CC2	mol24520	CNC12CCN(CC1)CC2
6.91	AttenGpKa training set	2	1	C[NH2+]C12CC[NH+](CC1)CC2	C[NH2+]C12CCN(CC1)CC2,CNC12CC[NH+](CC1)CC2	mol24520	CNC12CCN(CC1)CC2