[
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    "molid": "mol32632",
    "smiles": "C(=Cc1nnnn1-c1ccccc1)c1ccccc1",
    "microspecies": [
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        "id": "1_1",
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        "smiles": "C(=Cc1nn[nH+]n1-c1ccccc1)c1ccccc1",
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        "smiles": "C(=Cc1n[nH+]nn1-c1ccccc1)c1ccccc1",
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        "id": "1_3",
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        "relative_population": 0.23311936149226858
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        "id": "2_1",
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        "smiles": "C(=Cc1n[nH+][nH+]n1-c1ccccc1)c1ccccc1",
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        "id": "2_2",
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        "smiles": "C(=Cc1[nH+]n[nH+]n1-c1ccccc1)c1ccccc1",
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        "id": "2_3",
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        "smiles": "C(=Cc1[nH+][nH+]nn1-c1ccccc1)c1ccccc1",
        "std_free_energy": 21.31555938720703,
        "relative_population": 0.33119455586553875
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    ],
    "macro_pka_values": [
      {
        "pka_value": -2.5550001,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]