[
  {
    "molid": "mol30576",
    "smiles": "COc1c(O)cc(C)c(O)c1C",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1c(O)cc(C)c([O-])c1C",
        "std_free_energy": 1.3854559659957886,
        "relative_population": 0.37875104455891184
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1c([O-])cc(C)c(O)c1C",
        "std_free_energy": 0.8906031847000122,
        "relative_population": 0.6212489554410882
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1c([O-])cc(C)c([O-])c1C",
        "std_free_energy": 13.568357467651367,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]