[
  {
    "molid": "mol19543",
    "smiles": "COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2cc3[n+](cc2c1[O-])CCc1cc2c(cc1-3)OCO2",
        "std_free_energy": -3.357025384902954,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2",
        "std_free_energy": -4.590898513793945,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]