pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	AttenGpKa training set	1	0	O[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1	[O-][N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1	mol24935	O[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1