[
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    "molid": "mol35550",
    "smiles": "Nc1cncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
        "std_free_energy": -5.87954044342041,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[OH2+]",
        "std_free_energy": -2.3347291946411133,
        "relative_population": 0.11464389380853292
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      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1c[nH+]cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
        "std_free_energy": -3.9609975814819336,
        "relative_population": 0.5829486685064912
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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": -2.984675884246826,
        "relative_population": 0.21959335246712788
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.05000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]