[
  {
    "molid": "mol9607",
    "smiles": "Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl",
        "std_free_energy": -2.8393349647521973,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(O)c(Cl)c(Cl)c(Cl)c1Cl",
        "std_free_energy": -4.949414253234863,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1c([O-])c(Cl)c(Cl)c(Cl)c1Cl",
        "std_free_energy": 3.5419375896453857,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]