[
  {
    "molid": "mol34899",
    "smiles": "CC1(C)CC(C)(C)C(C(=O)O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)CC(C)(C)[C@H](C(=O)O)C1=O",
        "std_free_energy": -2.796412467956543,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)CC(C)(C)[C@H](C(=O)[O-])C1=O",
        "std_free_energy": -9.809369087219238,
        "relative_population": 0.9999988357681225
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.80134010314941,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]