[
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    "molid": "mol32622",
    "smiles": "OCC1OC(n2cnc3ccccc32)C(O)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
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        "relative_population": 1.0
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        "id": "1_1",
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        "smiles": "OC[C@H]1O[C@@H](n2cnc3ccccc32)[C@@H](O)[C@H](O)[C@@H]1[OH2+]",
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        "id": "1_2",
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        "id": "1_3",
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        "smiles": "OC[C@H]1O[C@@H](n2c[nH+]c3ccccc32)[C@@H](O)[C@H](O)[C@@H]1O",
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        "id": "1_4",
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        "id": "1_5",
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        "smiles": "OC[C@H]1O[C@@H](n2cnc3ccccc32)[C@@H]([OH2+])[C@H](O)[C@@H]1O",
        "std_free_energy": 0.4511568248271942,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0100002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]