[
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    "molid": "mol25282",
    "smiles": "O=[N+]([O-])c1nnn[nH]1",
    "microspecies": [
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        "smiles": "O=[N+]([O-])c1n[nH+][nH+][nH]1",
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        "smiles": "O=[N+]([O-])c1[nH]n[nH+][nH+]1",
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        "id": "2_3",
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        "smiles": "O=[N+]([O-])c1[nH][nH+]n[nH+]1",
        "std_free_energy": 19.82535743713379,
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      {
        "id": "-1_1",
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        "std_free_energy": -12.11246109008789,
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    ],
    "macro_pka_values": [
      {
        "pka_value": -1.13,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": -8.96,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]