[
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    "molid": "mol32580",
    "smiles": "Nc1ncc2ncn(C3OC(CO)C(O)C3O)c2n1",
    "microspecies": [
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        "id": "1_1",
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        "id": "1_2",
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        "id": "1_3",
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        "smiles": "Nc1nc2c(c[nH+]1)ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O",
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        "id": "1_4",
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        "smiles": "Nc1ncc2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2[nH+]1",
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        "id": "1_5",
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        "smiles": "Nc1ncc2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3[OH2+])c2n1",
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        "relative_population": 0.31079355222795707
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      {
        "id": "1_6",
        "charge": 1,
        "smiles": "[NH3+]c1ncc2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1",
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    "macro_pka_values": [
      {
        "pka_value": 3.4000001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]