[
  {
    "molid": "mol8698",
    "smiles": "CC1=C(O)C(=O)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=C(O)C(=O)CC1",
        "std_free_energy": -5.4374284744262695,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=C(O)C(=O)C[CH-]1",
        "std_free_energy": -1.484156608581543,
        "relative_population": 0.385347814459053
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC1=C([O-])C(=O)CC1",
        "std_free_energy": -1.3741984367370605,
        "relative_population": 0.3452221658587792
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[CH2-]C1=C(O)C(=O)CC1",
        "std_free_energy": -1.1155109405517578,
        "relative_population": 0.266533695458091
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]