pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	OCHEM	1	0	c1ccc(C[NH+]2CCCCC2)cc1	c1ccc(CN2CCCCC2)cc1	mol24281	c1ccc(CN2CCCCC2)cc1
9.35	AttenGpKa training set	1	0	c1ccc(C[NH+]2CCCCC2)cc1	c1ccc(CN2CCCCC2)cc1	mol24281	c1ccc(CN2CCCCC2)cc1