[
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    "molid": "mol32774",
    "smiles": "COc1nc(N)c2ncn(C3OC(CO)C(O)C3O)c2n1",
    "microspecies": [
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        "id": "0_1",
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        "smiles": "COc1nc(N)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1",
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        "smiles": "COc1nc(N)c2[nH+]cn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1",
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        "id": "1_5",
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        "smiles": "COc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(N)[nH+]1",
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        "id": "1_6",
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      {
        "id": "1_7",
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        "smiles": "COc1nc(N)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3[OH2+])c2n1",
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    "macro_pka_values": [
      {
        "pka_value": 3.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]