[
  {
    "molid": "mol38587",
    "smiles": "CC1(C(=O)O)CC(C(=O)O)C(C)(C)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)C[C@](C)(C(=O)O)C[C@@H]1C(=O)O",
        "std_free_energy": -2.9296152591705322,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)C[C@](C)(C(=O)[O-])C[C@@H]1C(=O)O",
        "std_free_energy": -7.459450721740723,
        "relative_population": 0.19777107839149255
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)C[C@](C)(C(=O)O)C[C@@H]1C(=O)[O-]",
        "std_free_energy": -8.859734535217285,
        "relative_population": 0.8022289216085076
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.30999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]