[
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    "molid": "mol32603",
    "smiles": "OCC1OC(n2cnc3c2ncn2ccnc32)C(O)C1O",
    "microspecies": [
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        "id": "1_3",
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        "id": "1_6",
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        "smiles": "OC[C@@H]1O[C@H](n2cnc3c2ncn2cc[nH+]c32)[C@H](O)[C@@H]1O",
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    "macro_pka_values": [
      {
        "pka_value": 4.0999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]