pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	AttenGpKa training set	1	0	CCCCCCCCCCCCNc1c2ccccc2[nH+]c2ccccc12,CCCCCCCCCCCC[NH2+]c1c2ccccc2nc2ccccc12	CCCCCCCCCCCCNc1c2ccccc2nc2ccccc12	mol26760	CCCCCCCCCCCCNc1c2ccccc2nc2ccccc12