[
  {
    "molid": "mol37620",
    "smiles": "CN1C[C@@H](CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C[C@@H](CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21",
        "std_free_energy": -4.071654319763184,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1C[C@@H](CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21",
        "std_free_energy": -9.13431167602539,
        "relative_population": 0.994103723854014
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.84000015258789,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]