[
  {
    "molid": "mol37815",
    "smiles": "O=C(O)[C@@H]1CC[C@H]2CCC[C@H]21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1CC[C@H]2CCC[C@H]21",
        "std_free_energy": -4.123063087463379,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1CC[C@H]2CCC[C@H]21",
        "std_free_energy": -8.599322319030762,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]