[
  {
    "molid": "mol37010",
    "smiles": "COc1cc2ccc(O)cc2[o+]c1-c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2ccc([O-])cc2[o+]c1-c1ccc(O)cc1",
        "std_free_energy": -3.4101052284240723,
        "relative_population": 0.6488098727553713
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc2ccc(O)cc2[o+]c1-c1ccc([O-])cc1",
        "std_free_energy": -2.796293258666992,
        "relative_population": 0.35119012724462884
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc2ccc(O)cc2[o+]c1-c1ccc(O)cc1",
        "std_free_energy": 0.7361142635345459,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.03999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]