[
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    "molid": "mol36078",
    "smiles": "CN(C)C(=O)NS(=O)(=O)n1c(N)nc2ccc(C(=CC(N)=O)c3cccc(F)c3)cc21",
    "microspecies": [
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        "smiles": "CN(C)C(=O)NS(=O)(=O)n1c(N)nc2ccc(C(=CC(N)=O)c3cccc(F)c3)cc21",
        "std_free_energy": -6.055220603942871,
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        "id": "1_2",
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        "id": "1_4",
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        "smiles": "CN(C)C(=O)NS(=O)(=O)n1c([NH3+])nc2ccc(C(=CC(N)=O)c3cccc(F)c3)cc21",
        "std_free_energy": 1.9973829984664917,
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    "macro_pka_values": [
      {
        "pka_value": 3.41000008583069,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]