[
  {
    "molid": "mol36760",
    "smiles": "O=C(CCl)NC(O)C(Cl)(Cl)Cl",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CCl)[N-][C@@H](O)C(Cl)(Cl)Cl",
        "std_free_energy": 4.224762439727783,
        "relative_population": 0.26777405234077556
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([CH-]Cl)N[C@@H](O)C(Cl)(Cl)Cl",
        "std_free_energy": 4.179762840270996,
        "relative_population": 0.2800990067173277
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(CCl)N[C@@H]([O-])C(Cl)(Cl)Cl",
        "std_free_energy": 3.7009429931640625,
        "relative_population": 0.4521269409418967
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([CH-]Cl)[N-][C@@H](O)C(Cl)(Cl)Cl",
        "std_free_energy": 6.3198723793029785,
        "relative_population": 0.4413412661124926
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C(CCl)[N-][C@@H]([O-])C(Cl)(Cl)Cl",
        "std_free_energy": 6.283950328826904,
        "relative_population": 0.45748334181462375
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([CH-]Cl)N[C@@H]([O-])C(Cl)(Cl)Cl",
        "std_free_energy": 7.792835235595703,
        "relative_population": 0.10117539207288366
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]