[
  {
    "molid": "mol12335",
    "smiles": "CC1=C(O)C(O)=CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=C(O)C(O)=CC1",
        "std_free_energy": -7.340106964111328,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=C(O)C([O-])=CC1",
        "std_free_energy": -0.26509523391723633,
        "relative_population": 0.5048374134369742
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1[cH-]cc(O)c1O",
        "std_free_energy": 1.0020923614501953,
        "relative_population": 0.14217359749130867
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC1=C([O-])C(O)=CC1",
        "std_free_energy": 0.09270432591438293,
        "relative_population": 0.3529889890717172
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.11,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.1099997,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.10999965667725,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]