pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.42	AttenGpKa training set	1	0	CC[NH+](CC)CC(N)(N)N,CCN(CC)CC(N)(N)[NH3+]	CCN(CC)CC(N)(N)N	mol24474	CCN(CC)CC(N)(N)N
9.44	AttenGpKa training set	1	0	CC[NH+](CC)CC(N)(N)N,CCN(CC)CC(N)(N)[NH3+]	CCN(CC)CC(N)(N)N	mol24474	CCN(CC)CC(N)(N)N
10.13	AttenGpKa training set	1	0	CC[NH+](CC)CC(N)(N)N,CCN(CC)CC(N)(N)[NH3+]	CCN(CC)CC(N)(N)N	mol24474	CCN(CC)CC(N)(N)N