[
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    "molid": "mol26306",
    "smiles": "COc1cccc2c(N)nc(-c3ccccc3)nc12",
    "microspecies": [
      {
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        "id": "1_2",
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        "smiles": "COc1cccc2c(N)[nH+]c(-c3ccccc3)nc12",
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      {
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        "smiles": "COc1cccc2c(N)nc(-c3ccccc3)[nH+]c12",
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    "macro_pka_values": [
      {
        "pka_value": 5.15999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]