[
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    "microspecies": [
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        "smiles": "O=S(=O)([O-])c1ccc([O-])c(CNCC[NH+](CC[NH2+]Cc2cc(S(=O)(=O)[O-])ccc2O)CC[NH2+]Cc2cc(S(=O)(=O)O)ccc2O)c1",
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        "id": "-1_2",
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        "smiles": "O=S(=O)([O-])c1ccc([O-])c(CNCC[NH+](CCNCc2cc(S(=O)(=O)O)ccc2O)CCNCc2cc(S(=O)(=O)O)ccc2O)c1",
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        "id": "-1_18",
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        "id": "-1_20",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc([O-])c(CNCC[NH+](CC[NH2+]Cc2cc(S(=O)(=O)[O-])ccc2O)CC[NH2+]Cc2cc(S(=O)(=O)[O-])ccc2O)c1",
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        "relative_population": 0.05531229169020066
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      {
        "id": "-1_24",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc(O)c(CNCC[NH+](CCNCc2cc(S(=O)(=O)[O-])ccc2O)CC[NH2+]Cc2cc(S(=O)(=O)[O-])ccc2O)c1",
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    "macro_pka_values": [
      {
        "pka_value": 8.06999969482422,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]