[
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    "molid": "mol31790",
    "smiles": "Nc1ncnc2c1ncn2C1O[C@H](CO)[C@H](O)[C@@H]1O",
    "microspecies": [
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        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O",
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        "id": "-1_1",
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        "smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@H](C[O-])[C@H](O)[C@@H]1O",
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        "id": "-1_2",
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        "smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H]([O-])[C@@H]1O",
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        "id": "-1_3",
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        "smiles": "[NH-]c1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O",
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        "id": "-1_4",
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        "smiles": "Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1[O-]",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 12.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]