[
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    "molid": "mol15386",
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    "microspecies": [
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        "smiles": "CN(C)c1cccc2c(S(=O)(=O)[NH2+]CC(=O)[O-])cccc12",
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        "smiles": "C[NH+](C)c1cccc2c(S(=O)(=O)NCC(=O)[O-])cccc12",
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    ],
    "macro_pka_values": [
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        "pka_value": 4.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
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        "pka_value": 4.4000001,
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        "data_source": "OCHEM"
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      {
        "pka_value": 11.7,
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        "charge_state_post": -2,
        "data_source": "Datawarrior"
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        "pka_value": 11.6999998092651,
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        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
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]