[
  {
    "molid": "mol9362",
    "smiles": "O=c1cc(O)cc(O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cc(O)cc(O)[nH]1",
        "std_free_energy": -4.0553154945373535,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=c1cc([O-])cc([O-])[n-]1",
        "std_free_energy": 7.793038368225098,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(O)cc([O-])[nH]1",
        "std_free_energy": -4.951977252960205,
        "relative_population": 0.5418709786568195
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=c1cc([O-])cc(O)[nH]1",
        "std_free_energy": -4.762590408325195,
        "relative_population": 0.4483799975510024
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1cc(O)cc([O-])[n-]1",
        "std_free_energy": 5.602397918701172,
        "relative_population": 0.2438472816410119
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=c1cc([O-])cc(O)[n-]1",
        "std_free_energy": 4.73347806930542,
        "relative_population": 0.5814133698515542
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=c1cc([O-])cc([O-])[nH]1",
        "std_free_energy": 5.935644626617432,
        "relative_population": 0.17473934850743392
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 13.0,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]