[
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    "smiles": "CN1CCN(C)Cc2ccc(cc2)CN(C)CCN(C)CCN(C)Cc2ccc(cc2)CN(C)CC1",
    "microspecies": [
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        "smiles": "CN1CC[NH+](C)CCN(C)Cc2ccc(cc2)C[NH+](C)CC[NH+](C)CCN(C)Cc2ccc(cc2)C1",
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        "id": "4_2",
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        "smiles": "CN1CC[NH+](C)Cc2ccc(cc2)C[NH+](C)CCN(C)CC[NH+](C)Cc2ccc(cc2)C[NH+](C)CC1",
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        "id": "4_3",
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        "smiles": "CN1CC[NH+](C)CCN(C)Cc2ccc(cc2)C[NH+](C)CC[NH+](C)CC[NH+](C)Cc2ccc(cc2)C1",
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      {
        "id": "4_6",
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        "smiles": "CN1CC[NH+](C)Cc2ccc(cc2)CN(C)CC[NH+](C)CC[NH+](C)Cc2ccc(cc2)C[NH+](C)CC1",
        "std_free_energy": -14.715298652648926,
        "relative_population": 0.35421691099718045
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.44000005722046,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]