[
  {
    "molid": "mol8828",
    "smiles": "NN(Cl)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NN(Cl)c1ccccc1",
        "std_free_energy": -6.496005058288574,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N[NH+](Cl)c1ccccc1",
        "std_free_energy": 1.8736505508422852,
        "relative_population": 0.6588379274958067
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]N(Cl)c1ccccc1",
        "std_free_energy": 2.5317704677581787,
        "relative_population": 0.3411620725041932
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.65,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]