[
  {
    "molid": "mol22199",
    "smiles": "[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])C([2H])([2H])[2H]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])C([2H])([2H])[2H]",
        "std_free_energy": -4.808535099029541,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[2H]C([2H])([2H])C(C(=O)[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H]",
        "std_free_energy": -8.206573486328125,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]