[
  {
    "molid": "mol13828",
    "smiles": "C[n+]1ccc(NN)c2ccccc21",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ccc(NN)c2ccccc21",
        "std_free_energy": -7.7837419509887695,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[n+]1ccc(N[NH3+])c2ccccc21",
        "std_free_energy": 1.8458092212677002,
        "relative_population": 0.5780371514845606
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C[n+]1ccc([NH2+]N)c2ccccc21",
        "std_free_energy": 2.1605300903320312,
        "relative_population": 0.42196284851543936
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.61,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.6099999,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]