[
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    "molid": "mol38040",
    "smiles": "C1CCCCCNCCCNCCCNCCCCCCCCCCNCCCNCCCNCCCC1",
    "microspecies": [
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        "charge": 4,
        "smiles": "C1CCCCC[NH2+]CCCNCCC[NH2+]CCCCCCCCCC[NH2+]CCC[NH2+]CCCNCCCC1",
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        "smiles": "C1CCCCCNCCC[NH2+]CCC[NH2+]CCCCCCCCCC[NH2+]CCC[NH2+]CCCNCCCC1",
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        "smiles": "C1CCCCC[NH2+]CCCNCCC[NH2+]CCCCCCCCCC[NH2+]CCCNCCC[NH2+]CCCC1",
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        "id": "4_4",
        "charge": 4,
        "smiles": "C1CCCCC[NH2+]CCC[NH2+]CCCNCCCCCCCCCC[NH2+]CCC[NH2+]CCCNCCCC1",
        "std_free_energy": -13.764363288879395,
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        "id": "4_5",
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        "smiles": "C1CCCCC[NH2+]CCC[NH2+]CCC[NH2+]CCCCCCCCCC[NH2+]CCCNCCCNCCCC1",
        "std_free_energy": -14.668885231018066,
        "relative_population": 0.13908479036083046
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        "id": "4_6",
        "charge": 4,
        "smiles": "C1CCCCC[NH2+]CCC[NH2+]CCC[NH2+]CCCCCCCCCCNCCC[NH2+]CCCNCCCC1",
        "std_free_energy": -14.787226676940918,
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      {
        "id": "5_1",
        "charge": 5,
        "smiles": "C1CCCCC[NH2+]CCC[NH2+]CCC[NH2+]CCCCCCCCCC[NH2+]CCC[NH2+]CCCNCCCC1",
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        "id": "5_2",
        "charge": 5,
        "smiles": "C1CCCCC[NH2+]CCC[NH2+]CCC[NH2+]CCCCCCCCCC[NH2+]CCCNCCC[NH2+]CCCC1",
        "std_free_energy": -16.99493980407715,
        "relative_population": 0.8139375794991468
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.94999980926514,
        "charge_state_pre": 5,
        "charge_state_post": 4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]