[
  {
    "molid": "mol22571",
    "smiles": "C[C@]1(C(=O)O)C[C@]1(Cl)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]1(C(=O)O)C[C@]1(Cl)C(=O)O",
        "std_free_energy": 0.2326178103685379,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@]1(C(=O)[O-])C[C@]1(Cl)C(=O)O",
        "std_free_energy": -7.978766441345215,
        "relative_population": 0.2137636832225021
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@]1(C(=O)O)C[C@]1(Cl)C(=O)[O-]",
        "std_free_energy": -9.281152725219727,
        "relative_population": 0.786236316777498
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@]1(C(=O)[O-])C[C@]1(Cl)C(=O)[O-]",
        "std_free_energy": -13.517385482788086,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.27,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]