pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.48	AttenGpKa training set	1	0	CCC(=[OH+])Nc1ccccc1	CCC(=O)Nc1ccccc1	mol23730	CCC(=O)Nc1ccccc1