[
  {
    "molid": "mol19544",
    "smiles": "COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2cc3[n+](cc2c1OC)CCc1cc([O-])c(O)cc1-3",
        "std_free_energy": -3.1527724266052246,
        "relative_population": 0.5849440647526797
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c([O-])cc1-3",
        "std_free_energy": -2.8096694946289062,
        "relative_population": 0.41505593524732026
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc2cc3[n+](cc2c1OC)CCc1cc([O-])c([O-])cc1-3",
        "std_free_energy": 7.139828681945801,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]