[
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    "molid": "mol29024",
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        "smiles": "O=P([O-])(O)OP(=O)([O-])OP(=O)([O-])O",
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        "id": "-1_1",
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    "macro_pka_values": [
      {
        "pka_value": 1.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 2.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.24,
        "charge_state_pre": -4,
        "charge_state_post": -5,
        "data_source": "AttenGpKa training set"
      },
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        "pka_value": 6.5,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]