[
  {
    "molid": "mol38060",
    "smiles": "COc1ccc2[nH]c3c4ccc(Cl)cc4ncc3c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2[nH]c3c4ccc(Cl)cc4ncc3c2c1",
        "std_free_energy": -5.305393218994141,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc2[nH]c3c4ccc(Cl)cc4[nH+]cc3c2c1",
        "std_free_energy": -6.517651557922363,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.99000000953674,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]