[
  {
    "molid": "mol30617",
    "smiles": "Cc1c(O)cc(C(C)C)c(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(O)cc(C(C)C)c(O)c1O",
        "std_free_energy": -7.737548828125,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(O)cc(C(C)C)c([O-])c1O",
        "std_free_energy": 0.41255366802215576,
        "relative_population": 0.10775087362889343
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1c([O-])cc(C(C)C)c(O)c1O",
        "std_free_energy": -0.40627461671829224,
        "relative_population": 0.24436185074924
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1c(O)cc(C(C)C)c(O)c1[O-]",
        "std_free_energy": -1.3813412189483643,
        "relative_population": 0.6478872756218665
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]