[
  {
    "molid": "mol32278",
    "smiles": "Nc1nc(O)[n+](C2CC(O)C(CO)O2)cc1CO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1nc([O-])[n+]([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1CO",
        "std_free_energy": -6.106530666351318,
        "relative_population": 0.9999167532260439
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1nc(O)[n+]([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1CO",
        "std_free_energy": 0.7797180414199829,
        "relative_population": 0.9481510699617518
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1nc([O-])[n+]([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1CO",
        "std_free_energy": 3.6858975887298584,
        "relative_population": 0.05184893003824824
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.55,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]