[
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    "smiles": "CN1CCCNCc2ccc3ccc4ccc(nc4c3n2)CN(CCN2CCCN(C)CCCNCc3ccc4ccc5ccc(nc5c4n3)C2)CCC1",
    "microspecies": [
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        "smiles": "CN1CCCNCc2ccc3ccc4ccc(nc4c3n2)CN(CCN2CCCN(C)CCCNCc3ccc4ccc5ccc(nc5c4n3)C2)CCC1",
        "std_free_energy": 0.869647741317749,
        "relative_population": 1.0
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        "smiles": "CN1CCCNCc2ccc3ccc4ccc(nc4c3n2)CN(CCN2CCCN(C)CCC[NH2+]Cc3ccc4ccc5ccc(nc5c4n3)C2)CCC1",
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        "id": "1_3",
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        "smiles": "CN1CCCNCc2ccc3ccc4ccc(nc4c3n2)CN(CC[NH+]2CCCN(C)CCCNCc3ccc4ccc5ccc(nc5c4n3)C2)CCC1",
        "std_free_energy": -6.691729545593262,
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        "id": "1_4",
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        "smiles": "CN1CCCNCc2ccc3ccc4ccc(nc4c3n2)CN(CCN2CCC[NH+](C)CCCNCc3ccc4ccc5ccc(nc5c4n3)C2)CCC1",
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        "id": "1_5",
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        "smiles": "CN1CCCNCc2ccc3ccc4ccc(nc4c3n2)CN(CCN2CCCN(C)CCCNCc3ccc4ccc5ccc(nc5c4[nH+]3)C2)CCC1",
        "std_free_energy": -5.187314987182617,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]