[
  {
    "molid": "mol26493",
    "smiles": "COn1nnc2c([N+](=O)[O-])cccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COn1nnc2c([N+](=O)[O-])cccc21",
        "std_free_energy": -6.574717044830322,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COn1[nH+]nc2c([N+](=O)[O-])cccc21",
        "std_free_energy": 14.433427810668945,
        "relative_population": 0.22759790211902658
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COn1n[nH+]c2c([N+](=O)[O-])cccc21",
        "std_free_energy": 13.211503028869629,
        "relative_population": 0.7724020978809735
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.22,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]