[
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    "molid": "mol37064",
    "smiles": "COc1cc(OC)c(Cl)c(Cc2cnc(N)nc2N)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "COc1cc(OC)c(Cl)c(Cc2cnc(N)nc2N)c1Cl",
        "std_free_energy": -5.400479316711426,
        "relative_population": 1.0
      },
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        "id": "1_1",
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        "smiles": "COc1cc(OC)c(Cl)c(Cc2c[nH+]c(N)nc2N)c1Cl",
        "std_free_energy": -2.916754961013794,
        "relative_population": 0.22670893163806807
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        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc(OC)c(Cl)c(Cc2cnc(N)nc2[NH3+])c1Cl",
        "std_free_energy": -3.127885103225708,
        "relative_population": 0.28000209840395196
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        "id": "1_3",
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        "smiles": "COc1cc(OC)c(Cl)c(Cc2cnc(N)[nH+]c2N)c1Cl",
        "std_free_energy": -2.3409078121185303,
        "relative_population": 0.1274621944273101
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      {
        "id": "1_4",
        "charge": 1,
        "smiles": "COc1cc(OC)c(Cl)c(Cc2cnc([NH3+])nc2N)c1Cl",
        "std_free_energy": -3.3952479362487793,
        "relative_population": 0.36582677553066995
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]