[
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    "molid": "mol32477",
    "smiles": "CCN(CC)CCCNC(=O)C=NO",
    "microspecies": [
      {
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        "smiles": "CC[NH+](CC)CCCNC(=O)C=N[O-]",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.33,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]