pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.22	AttenGpKa training set	1	0	C[NH+](C)c1ccccc1Cl	CN(C)c1ccccc1Cl	mol23757	CN(C)c1ccccc1Cl