[
  {
    "molid": "mol13716",
    "smiles": "O=c1ccc2cc(O)c(O)cc2o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1ccc2cc(O)c(O)cc2o1",
        "std_free_energy": -5.520450592041016,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1ccc2cc(O)c([O-])cc2o1",
        "std_free_energy": -2.912249803543091,
        "relative_population": 0.7782676148070605
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1ccc2cc([O-])c(O)cc2o1",
        "std_free_energy": -1.6566505432128906,
        "relative_population": 0.22173238519293945
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.63,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.6300001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.63000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]