[
  {
    "molid": "mol9470",
    "smiles": "O=C1N=C(O)C(Cl)=CC1(Cl)Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1N=C(O)C(Cl)=CC1(Cl)Cl",
        "std_free_energy": -3.017120838165283,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1N=C([O-])C(Cl)=CC1(Cl)Cl",
        "std_free_energy": -6.012737274169922,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.53,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]