[
  {
    "molid": "mol7194",
    "smiles": "CCCCc1nc(O)cc(Cl)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCc1nc(O)cc(Cl)n1",
        "std_free_energy": -6.196017265319824,
        "relative_population": 0.999819290782842
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCc1nc([O-])cc(Cl)n1",
        "std_free_energy": -3.905935764312744,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]