[
  {
    "molid": "mol33916",
    "smiles": "Nc1cccnc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccnc1Cl",
        "std_free_energy": -8.05853271484375,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cccnc1Cl",
        "std_free_energy": 1.9824974536895752,
        "relative_population": 0.44434763035346186
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc[nH+]c1Cl",
        "std_free_energy": 1.758961796760559,
        "relative_population": 0.5556523696465381
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.78999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]