[
  {
    "molid": "mol14158",
    "smiles": "ON=C1CCCCC/C1=N\\O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "ON=C1CCCCC/C1=N\\O",
        "std_free_energy": -7.667550086975098,
        "relative_population": 0.9999993711894303
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]N=C1CCCCC/C1=N\\O",
        "std_free_energy": 1.781842827796936,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]N=C1CCCCC/C1=N\\[O-]",
        "std_free_energy": 15.953824043273926,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 12.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]