[
  {
    "molid": "mol12716",
    "smiles": "ON=C1CCC/C(=N\\O)C1=NO",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]N=C1CCC/C(=N\\O)C1=NO",
        "std_free_energy": -4.331174850463867,
        "relative_population": 0.27087340742081495
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[O-]N=C1C(=NO)CCC/C1=N\\O",
        "std_free_energy": -5.321365833282471,
        "relative_population": 0.7291230883798007
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]N=C1CCC/C(=N\\[O-])C1=NO",
        "std_free_energy": 5.456321716308594,
        "relative_population": 0.7042967045007803
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-]N=C1CCC/C(=N\\O)C1=N[O-]",
        "std_free_energy": 6.324164867401123,
        "relative_population": 0.29570329549921964
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.16,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]