[
  {
    "molid": "mol13091",
    "smiles": "Cc1nc([N-][N+](=O)[O-])n[nH]1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc([N-][N+](=O)[O-])n[nH]1",
        "std_free_energy": -9.163227081298828,
        "relative_population": 0.9999179776511531
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1nc([N-][N+](=O)[O-])n[n-]1",
        "std_free_energy": 2.000727891921997,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.23,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]