pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.12	AttenGpKa training set	2	1	CC[N+](C)(CC)Cc1ccc[nH+]c1	CC[N+](C)(CC)Cc1cccnc1	mol25101	CC[N+](C)(CC)Cc1cccnc1