[
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    "molid": "mol7762",
    "smiles": "Cc1ccc2c(S(=O)(=O)O)cc([N+](=O)[O-])c(O)c2n1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 0.699999988079071,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 0.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.24,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
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        "pka_value": 6.23999977111816,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]