[
  {
    "molid": "mol26492",
    "smiles": "COn1nnc2ccc([N+](=O)[O-])cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COn1nnc2ccc([N+](=O)[O-])cc21",
        "std_free_energy": -6.674256801605225,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COn1n[nH+]c2ccc([N+](=O)[O-])cc21",
        "std_free_energy": 12.84607219696045,
        "relative_population": 0.7964033640392804
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COn1[nH+]nc2ccc([N+](=O)[O-])cc21",
        "std_free_energy": 14.210037231445312,
        "relative_population": 0.20359663596071956
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.67,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]