pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.93	AttenGpKa training set	1	0	[NH3+]CCCCCc1ccc2ccccc2c1	NCCCCCc1ccc2ccccc2c1	mol24316	NCCCCCc1ccc2ccccc2c1