[
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    "molid": "mol37228",
    "smiles": "CCCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1",
    "microspecies": [
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        "id": "0_1",
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        "smiles": "CCCCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)cc1",
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        "id": "1_4",
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        "std_free_energy": -4.823748588562012,
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    "macro_pka_values": [
      {
        "pka_value": 7.3899998664856,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]