pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	AttenGpKa training set	1	0	Clc1ccc(C/C(=C/C[NH+]2CCCC2)c2ccccc2)cc1	Clc1ccc(C/C(=C/CN2CCCC2)c2ccccc2)cc1	mol29830	Clc1ccc(C/C(=C/CN2CCCC2)c2ccccc2)cc1