[
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    "molid": "mol34565",
    "smiles": "c1ccc(CN2CCCN(Cc3ccccn3)Cc3cccc(n3)CN(Cc3ccccn3)CCC2)nc1",
    "microspecies": [
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        "smiles": "c1ccc(CN2CCCN(Cc3ccccn3)Cc3cccc(n3)CN(Cc3ccccn3)CCC2)nc1",
        "std_free_energy": -2.395265817642212,
        "relative_population": 1.0
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        "id": "1_2",
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        "smiles": "c1ccc(CN2CCC[NH+](Cc3ccccn3)CCCN(Cc3ccccn3)Cc3cccc(n3)C2)nc1",
        "std_free_energy": -8.835126876831055,
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        "id": "1_3",
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        "smiles": "c1ccc(CN2CCCN(Cc3ccccn3)Cc3cccc(n3)C[NH+](Cc3ccccn3)CCC2)nc1",
        "std_free_energy": -8.083693504333496,
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        "id": "1_4",
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        "smiles": "c1ccc(CN2CCCN(Cc3ccccn3)Cc3cccc(n3)CN(Cc3cccc[nH+]3)CCC2)nc1",
        "std_free_energy": -6.543771743774414,
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        "id": "1_5",
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        "smiles": "c1ccc(CN2CCCN(Cc3ccccn3)Cc3cccc([nH+]3)CN(Cc3ccccn3)CCC2)nc1",
        "std_free_energy": -6.734694480895996,
        "relative_population": 0.06996370346907572
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.15999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]