[
  {
    "molid": "mol38480",
    "smiles": "C[n+]1cccc2ccc(NN)cc21",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cccc2ccc(NN)cc21",
        "std_free_energy": -7.026233673095703,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[n+]1cccc2ccc(N[NH3+])cc21",
        "std_free_energy": 2.039234161376953,
        "relative_population": 0.6706270283865419
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C[n+]1cccc2ccc([NH2+]N)cc21",
        "std_free_energy": 2.7502565383911133,
        "relative_population": 0.3293729716134582
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]