[
  {
    "molid": "mol31599",
    "smiles": "CC1C/C(=N\\O)C(=NO)/C(=N/O)C1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CC1C/C(=N\\[O-])C(=N[O-])/C(=N/[O-])C1",
        "std_free_energy": 17.839462280273438,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC1C/C(=N\\[O-])C(=N[O-])/C(=N/O)C1",
        "std_free_energy": 6.821596622467041,
        "relative_population": 0.25036388016891037
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC1C/C(=N\\[O-])C(=NO)/C(=N/[O-])C1",
        "std_free_energy": 5.724924087524414,
        "relative_population": 0.7496361198310897
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]