[
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    "molid": "mol34036",
    "smiles": "CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1",
    "microspecies": [
      {
        "id": "0_1",
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        "std_free_energy": -4.98126220703125,
        "relative_population": 1.0
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        "id": "1_1",
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        "smiles": "CCOc1cc(Cc2cnc(N)nc2[NH3+])cc(OCC)c1-n1cccc1",
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        "smiles": "CCOc1cc(Cc2c[nH+]c(N)nc2N)cc(OCC)c1-n1cccc1",
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        "smiles": "CCOc1cc(Cc2cnc([NH3+])nc2N)cc(OCC)c1-n1cccc1",
        "std_free_energy": -5.240615367889404,
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        "id": "1_4",
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        "std_free_energy": -4.255744457244873,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]