pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.43	AttenGpKa training set	1	0	CCC(=O)[C@H](c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1	CCC(=O)[C@H](c1ccccc1)C1CCN(CCc2ccccc2)CC1	mol29895	CCC(=O)C(c1ccccc1)C1CCN(CCc2ccccc2)CC1