[
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    "molid": "mol33739",
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    "microspecies": [
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        "id": "1_5",
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        "id": "1_6",
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        "id": "1_7",
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        "smiles": "[NH3+]c1nc(SC2CCCCC2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
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    "macro_pka_values": [
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        "pka_value": 5.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]