[
  {
    "molid": "mol7861",
    "smiles": "ClCc1ncc2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "ClCc1ncc2ccccc2n1",
        "std_free_energy": -7.727014541625977,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "ClCc1ncc2ccccc2[nH+]1",
        "std_free_energy": 2.9635627269744873,
        "relative_population": 0.584556013446653
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "ClCc1nc2ccccc2c[nH+]1",
        "std_free_energy": 3.305067539215088,
        "relative_population": 0.415443986553347
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.80999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]