[
  {
    "molid": "mol33181",
    "smiles": "CN(C)c1ccc(N=Nc2ccc(I)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(N=Nc2ccc(I)cc2)cc1",
        "std_free_energy": -7.685227394104004,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(N=[NH+]c2ccc(I)cc2)cc1",
        "std_free_energy": 1.8387678861618042,
        "relative_population": 0.20412968339390455
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(N=Nc2ccc(I)cc2)cc1",
        "std_free_energy": 0.4780871272087097,
        "relative_population": 0.7958703166060954
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.06,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]