[
  {
    "molid": "mol36644",
    "smiles": "C=C(C)C1(O)OC(=O)C=C1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C(C)[C@@]1(O)OC(=O)C=C1OC",
        "std_free_energy": -4.952803134918213,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C(C)[C@@]1([O-])OC(=O)C=C1OC",
        "std_free_energy": -4.501955032348633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]