[
  {
    "molid": "mol13149",
    "smiles": "O=C(O)[C@]1(Cl)[C@@H]2CCC[C@@H]21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@]1(Cl)[C@@H]2CCC[C@@H]21",
        "std_free_energy": -2.2630462646484375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@]1(Cl)[C@@H]2CCC[C@@H]21",
        "std_free_energy": -11.080177307128906,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.8199999332428,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]