[
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    "molid": "mol38264",
    "smiles": "Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O",
    "microspecies": [
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        "smiles": "Oc1ccccc1/C=N/CCC/N=C/c1ccccc1O",
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        "id": "0_3",
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        "smiles": "[O-]c1ccccc1/C=N/CCC/[NH+]=C/c1ccccc1O",
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        "id": "-1_2",
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        "std_free_energy": 4.054312705993652,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8900003433228,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]