[
  {
    "molid": "mol12353",
    "smiles": "O=C1COC(=O)C1I",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1COC(=O)[C@H]1I",
        "std_free_energy": -1.1371169090270996,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1COC(=O)[C-]1I",
        "std_free_energy": -11.33084774017334,
        "relative_population": 0.9922110145668619
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.3099999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]