[
  {
    "molid": "mol32721",
    "smiles": "Nc1cncn1C1OC(CO)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cncn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O",
        "std_free_energy": -5.897047996520996,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1c[nH+]cn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O",
        "std_free_energy": -4.125086307525635,
        "relative_population": 0.5976892214525494
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cncn1[C@H]1O[C@@H](C[OH2+])[C@@H](O)[C@@H]1O",
        "std_free_energy": -1.772316575050354,
        "relative_population": 0.05684346089912099
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      {
        "id": "1_4",
        "charge": 1,
        "smiles": "[NH3+]c1cncn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O",
        "std_free_energy": -2.960909128189087,
        "relative_population": 0.18658627692257596
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      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Nc1cncn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1[OH2+]",
        "std_free_energy": -2.553797960281372,
        "relative_population": 0.12418626492887021
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0500002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]