[
  {
    "molid": "mol30592",
    "smiles": "Oc1cc(O)c2ccccc2c1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "[O-]c1cc([O-])c2ccccc2c1[O-]",
        "std_free_energy": 9.885918617248535,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc(O)c(O)c2ccccc12",
        "std_free_energy": -1.7176733016967773,
        "relative_population": 0.2348875042888925
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cc(O)c2ccccc2c1O",
        "std_free_energy": -2.6737723350524902,
        "relative_population": 0.6110664612037667
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1c(O)cc(O)c2ccccc12",
        "std_free_energy": -1.2958180904388428,
        "relative_population": 0.15404603450734067
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1cc(O)c([O-])c2ccccc12",
        "std_free_energy": 6.063035011291504,
        "relative_population": 0.5419292334928821
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-]c1cc([O-])c2ccccc2c1O",
        "std_free_energy": 7.939996719360352,
        "relative_population": 0.08294466671031202
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "[O-]c1cc(O)c2ccccc2c1[O-]",
        "std_free_energy": 6.430908203125,
        "relative_population": 0.3751260997968058
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.0,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]