[
  {
    "molid": "mol30608",
    "smiles": "CC1=CC(=O)C(C(C)C)=C(O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=CC(=O)C(C(C)C)=C(O)C1=O",
        "std_free_energy": -2.711721897125244,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[CH2-]C1=CC(=O)C(C(C)C)=C(O)C1=O",
        "std_free_energy": -4.561130523681641,
        "relative_population": 0.09866848813768637
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC1=CC(=O)C(C(C)C)=C([O-])C1=O",
        "std_free_energy": -6.773105621337891,
        "relative_population": 0.9012121801956137
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]