[
  {
    "molid": "mol33850",
    "smiles": "COc1cccc2cc[nH]c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc2cc[nH]c12",
        "std_free_energy": -7.528479099273682,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cccc2cc[n-]c12",
        "std_free_energy": 9.570316314697266,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 17.0300006866455,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]