[
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    "molid": "mol8251",
    "smiles": "Cc1nc2c(O)nc(N)nc2n1C",
    "microspecies": [
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        "smiles": "Cc1nc2c(O)nc([NH3+])nc2n1C",
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        "smiles": "Cc1nc2c(O)[nH+]c(N)nc2n1C",
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        "charge": 2,
        "smiles": "Cc1[nH+]c2c([O-])nc([NH3+])[nH+]c2n1C",
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        "id": "2_3",
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        "smiles": "Cc1[nH+]c2c(O)nc(N)[nH+]c2n1C",
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        "id": "2_4",
        "charge": 2,
        "smiles": "Cc1[nH+]c2c(O)nc([NH3+])nc2n1C",
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        "id": "2_6",
        "charge": 2,
        "smiles": "Cc1nc2c(O)nc([NH3+])[nH+]c2n1C",
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        "id": "2_7",
        "charge": 2,
        "smiles": "Cc1[nH+]c2c(O)[nH+]c(N)nc2n1C",
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        "id": "-1_1",
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        "smiles": "Cc1nc2c([O-])nc(N)nc2n1C",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 9.95,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.11,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": -1.82,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]