pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.14	AttenGpKa training set	1	0	[NH3+]C12CCN(CC1)CC2,NC12CC[NH+](CC1)CC2	NC12CCN(CC1)CC2	mol24505	NC12CCN(CC1)CC2
6.79	AttenGpKa training set	2	1	[NH3+]C12CC[NH+](CC1)CC2	[NH3+]C12CCN(CC1)CC2,NC12CC[NH+](CC1)CC2	mol24505	NC12CCN(CC1)CC2