pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89	AttenGpKa training set	1	0	C[NH+](CCCc1ccc2ccccc2c1)CCc1ccccc1	CN(CCCc1ccc2ccccc2c1)CCc1ccccc1	mol24369	CN(CCCc1ccc2ccccc2c1)CCc1ccccc1