[
  {
    "molid": "mol13701",
    "smiles": "CC(C)(C)C(=O)NC(O)C(Cl)(Cl)Cl",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)C(=O)N[C@@H]([O-])C(Cl)(Cl)Cl",
        "std_free_energy": 4.9555583000183105,
        "relative_population": 0.9982152968809994
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)(C)C(=O)[N-][C@@H]([O-])C(Cl)(Cl)Cl",
        "std_free_energy": 11.20291805267334,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.65,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 14.6499996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]