pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.74	AttenGpKa training set	1	0	[NH3+]CCCCCCc1ccc2ccccc2c1	NCCCCCCc1ccc2ccccc2c1	mol24327	NCCCCCCc1ccc2ccccc2c1