pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.3	AttenGpKa training set	0	-1	C[C@H]1CCC(=O)[C@@H]2C(=O)CCC[C@@H]21	C[C@H]1CCC(=O)[C@@H]2C(=O)[CH-]CC[C@@H]21,C[C@H]1CCC(=O)[C-]2C(=O)CCC[C@@H]21,C[C@H]1C[CH-]C(=O)[C@@H]2C(=O)CCC[C@@H]21	mol26882	CC1CCC(=O)C2C(=O)CCCC12