[
  {
    "molid": "mol12334",
    "smiles": "CC1CCC(=O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CCC(=O)C1=O",
        "std_free_energy": -6.317964553833008,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H]1C[CH-]C(=O)C1=O",
        "std_free_energy": 0.4280642569065094,
        "relative_population": 0.9618653569708052
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.6000004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]