[
  {
    "molid": "mol37231",
    "smiles": "CNC[C@H](O)C(O)C(O)C(O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO",
        "std_free_energy": -3.165045976638794,
        "relative_population": 1.0
      },
      {
        "id": "1_6",
        "charge": 1,
        "smiles": "C[NH2+]C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO",
        "std_free_energy": -9.365066528320312,
        "relative_population": 0.9348371514810934
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.52999973297119,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]