[
  {
    "molid": "mol37861",
    "smiles": "C[n+]1ccc(/C=C/c2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1ccc(/C=C/c2ccc([O-])cc2)cc1",
        "std_free_energy": -2.3668289184570312,
        "relative_population": 0.9943938539971623
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ccc(/C=C/c2ccc(O)cc2)cc1",
        "std_free_energy": -6.333322525024414,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.39500045776367,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]