[
  {
    "molid": "mol25065",
    "smiles": "Nc1cccnc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccnc1[N+](=O)[O-]",
        "std_free_energy": -7.976608753204346,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc[nH+]c1[N+](=O)[O-]",
        "std_free_energy": 4.818661212921143,
        "relative_population": 0.7383820612889276
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1cccnc1[N+](=O)[O-]",
        "std_free_energy": 5.856237411499023,
        "relative_population": 0.2616179387110724
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+]c1ccc[nH+]c1[N+](=O)[O-]",
        "std_free_energy": 16.725078582763672,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.02,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": -9.07,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]