[
  {
    "molid": "mol26934",
    "smiles": "O=C1CCC(=O)C1NC(=O)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCC(=O)C1NC(=O)C(F)(F)F",
        "std_free_energy": -2.767035961151123,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[CH-]CC(=O)C1NC(=O)C(F)(F)F",
        "std_free_energy": -3.3230180740356445,
        "relative_population": 0.057718409713430174
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CCC(=O)[C-]1NC(=O)C(F)(F)F",
        "std_free_energy": -5.376416206359863,
        "relative_population": 0.4498770459051323
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1CCC(=O)C1[N-]C(=O)C(F)(F)F",
        "std_free_energy": -5.466742515563965,
        "relative_population": 0.4924045443814376
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]