[
  {
    "molid": "mol13203",
    "smiles": "CC(=O)C(Cc1ccccc1)C(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(Cc1ccccc1)C(C)=O",
        "std_free_energy": -6.380660057067871,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[C-](Cc1ccccc1)C(C)=O",
        "std_free_energy": 3.1979823112487793,
        "relative_population": 0.9859451836957138
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]