[
  {
    "molid": "mol9740",
    "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": 0.23943884670734406,
        "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": -8.01416301727295,
        "relative_population": 0.21770046770039933
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@]1(C(=O)O)C[C@@]1(Cl)C(=O)[O-]",
        "std_free_energy": -9.293280601501465,
        "relative_population": 0.7822995322996006
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@@]1(C(=O)[O-])C[C@@]1(Cl)C(=O)[O-]",
        "std_free_energy": -13.498771667480469,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.25,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]