[
  {
    "molid": "mol37324",
    "smiles": "O[C@H]1CCc2c(ccc3nc4ccc5ccccc5c4cc23)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@H]1CCc2c(ccc3nc4ccc5ccccc5c4cc23)[C@@H]1O",
        "std_free_energy": -6.511403560638428,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[C@H]1CCc2c(ccc3[nH+]c4ccc5ccccc5c4cc23)[C@@H]1O",
        "std_free_energy": -1.3851557970046997,
        "relative_population": 0.9421606538932817
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]