[
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    "molid": "mol8060",
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    "microspecies": [
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        "id": "2_1",
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        "smiles": "Cc1nc2c(OC(C)C)nc([NH3+])[nH+]c2n(C)c1=O",
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        "id": "2_2",
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        "smiles": "Cc1[nH+]c2c(OC(C)C)nc(N)[nH+]c2n(C)c1=O",
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        "id": "2_3",
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        "smiles": "Cc1[nH+]c2c(OC(C)C)nc([NH3+])nc2n(C)c1=O",
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        "id": "2_5",
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        "smiles": "Cc1nc2c(OC(C)C)[nH+]c(N)[nH+]c2n(C)c1=O",
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      {
        "id": "2_6",
        "charge": 2,
        "smiles": "Cc1[nH+]c2c(OC(C)C)[nH+]c(N)nc2n(C)c1=O",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 0.4,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]