[
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    "microspecies": [
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        "id": "2_4",
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        "smiles": "CCOCCn1c(C[NH+]2CC[NH+](CCCCn3cccn3)CC2)nc2ccccc21",
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        "smiles": "CCOCCn1c(CN2CC[NH+](CCCCn3ccc[nH+]3)CC2)nc2ccccc21",
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        "id": "2_6",
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    "macro_pka_values": [
      {
        "pka_value": 7.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
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        "pka_value": 7.9000001,
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        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
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        "pka_value": 4.8,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
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        "pka_value": 4.80000019073486,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]