[
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    "molid": "mol34677",
    "smiles": "CC(=NO)C(=NO)C(=O)Nc1ccccc1Cl",
    "microspecies": [
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        "id": "-2_1",
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        "smiles": "CC(=N[O-])C(=N[O-])C(=O)Nc1ccccc1Cl",
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        "id": "-2_2",
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        "smiles": "CC(=NO)C(=N[O-])C(=O)[N-]c1ccccc1Cl",
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        "id": "-2_3",
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        "smiles": "CC(=N[O-])C(=NO)C(=O)[N-]c1ccccc1Cl",
        "std_free_energy": 5.606722354888916,
        "relative_population": 0.521359598851465
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.98999977111816,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]