pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	AttenGpKa training set	1	0	CCCC[NH2+]c1c2ccccc2nc2ccccc12,CCCCNc1c2ccccc2[nH+]c2ccccc12	CCCCNc1c2ccccc2nc2ccccc12	mol26706	CCCCNc1c2ccccc2nc2ccccc12