[
  {
    "molid": "mol9096",
    "smiles": "O=c1[nH]nc(I)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]nc(I)c(=O)[nH]1",
        "std_free_energy": -3.1940183639526367,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c(I)n[nH]1",
        "std_free_energy": -5.884592533111572,
        "relative_population": 0.7289577890345185
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]nc(I)c(=O)[nH]1",
        "std_free_energy": -4.895251274108887,
        "relative_population": 0.2710422109654815
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.27,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]