pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.7	AttenGpKa training set	1	0	CCN(CC)c1cccc2cccc([NH+](CC)CC)c12	CCN(CC)c1cccc2cccc(N(CC)CC)c12	mol24103	CCN(CC)c1cccc2cccc(N(CC)CC)c12