[
  {
    "molid": "mol36758",
    "smiles": "O=C(NC(O)C(Cl)(Cl)Cl)C(Cl)Cl",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(N[C@H](O)C(Cl)(Cl)Cl)[C-](Cl)Cl",
        "std_free_energy": -3.1122584342956543,
        "relative_population": 0.9782236037930488
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([N-][C@H]([O-])C(Cl)(Cl)Cl)C(Cl)Cl",
        "std_free_energy": 5.178441047668457,
        "relative_population": 0.06641301385065788
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([N-][C@H](O)C(Cl)(Cl)Cl)[C-](Cl)Cl",
        "std_free_energy": 2.5940864086151123,
        "relative_population": 0.8802867160138733
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C(N[C@H]([O-])C(Cl)(Cl)Cl)[C-](Cl)Cl",
        "std_free_energy": 5.398392677307129,
        "relative_population": 0.05330027013546865
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.26000022888184,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]