[
  {
    "molid": "mol32734",
    "smiles": "O=C(C=Cc1c[nH]cn1)OCCCl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(C=Cc1c[nH]cn1)OCCCl",
        "std_free_energy": -6.2312469482421875,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(C=Cc1c[nH]c[nH+]1)OCCCl",
        "std_free_energy": -2.3517773151397705,
        "relative_population": 0.9749122439818234
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8000002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]