[
  {
    "molid": "mol30512",
    "smiles": "Cc1c(O)ccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(O)ccc(O)c1O",
        "std_free_energy": -8.018884658813477,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c([O-])ccc(O)c1O",
        "std_free_energy": 0.08044055104255676,
        "relative_population": 0.2639926006457907
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1c(O)ccc(O)c1[O-]",
        "std_free_energy": -0.35908132791519165,
        "relative_population": 0.4097072801475461
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1c(O)ccc([O-])c1O",
        "std_free_energy": -0.1314559429883957,
        "relative_population": 0.32630011920666324
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]