pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	AttenGpKa training set	1	0	C[C@@H](Cc1ccccc1)[NH+](C)Cc1ccccc1	C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1	mol24337	C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1