[
  {
    "molid": "mol25230",
    "smiles": "N#[N+]c1c[nH]nn1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N#[N+]c1c[nH]nn1",
        "std_free_energy": 4.268647193908691,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "N#[N+]c1c[nH][nH+]n1",
        "std_free_energy": 16.98505973815918,
        "relative_population": 0.536642543994704
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "N#[N+]c1c[nH]n[nH+]1",
        "std_free_energy": 17.131893157958984,
        "relative_population": 0.4633574560052961
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.3,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]