[
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    "molid": "mol33747",
    "smiles": "O=S1(=O)OC(c2ccc(O)c(O)c2)(c2ccc(O)c(O)c2)c2ccccc21",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S1(=O)OC(c2ccc(O)c([O-])c2)(c2ccc(O)c(O)c2)c2ccccc21",
        "std_free_energy": -2.108295202255249,
        "relative_population": 0.40952038319397827
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        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S1(=O)OC(c2ccc([O-])c(O)c2)(c2ccc(O)c(O)c2)c2ccccc21",
        "std_free_energy": -2.474243640899658,
        "relative_population": 0.5904796168060218
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        "id": "-2_1",
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        "smiles": "O=S1(=O)OC(c2ccc(O)c([O-])c2)(c2ccc(O)c([O-])c2)c2ccccc21",
        "std_free_energy": 5.803772449493408,
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      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=S1(=O)OC(c2ccc(O)c([O-])c2)(c2ccc([O-])c(O)c2)c2ccccc21",
        "std_free_energy": 5.466917991638184,
        "relative_population": 0.32616049527951085
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      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=S1(=O)OC(c2ccc([O-])c(O)c2)(c2ccc([O-])c(O)c2)c2ccccc21",
        "std_free_energy": 5.414787292480469,
        "relative_population": 0.34361446107949367
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      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=S1(=O)OC(c2ccc([O-])c([O-])c2)(c2ccc(O)c(O)c2)c2ccccc21",
        "std_free_energy": 6.676074028015137,
        "relative_population": 0.0973422910450108
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.82000017166138,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]