[
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    "molid": "mol36770",
    "smiles": "O=P(O)(O)C(O)c1cccc(C(O)P(=O)(O)O)n1",
    "microspecies": [
      {
        "id": "-3_19",
        "charge": -3,
        "smiles": "O=P([O-])([O-])[C@@H](O)c1cccc([C@H](O)P(=O)([O-])[O-])[nH+]1",
        "std_free_energy": -13.688018798828125,
        "relative_population": 0.5204356754157513
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        "id": "-3_20",
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        "smiles": "O=P([O-])([O-])[C@@H](O)c1cccc([C@H](O)P(=O)([O-])O)n1",
        "std_free_energy": -13.606228828430176,
        "relative_population": 0.4795635060214379
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        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])[C@@H](O)c1cccc([C@H](O)P(=O)(O)O)n1",
        "std_free_energy": -12.917769432067871,
        "relative_population": 0.24914440012456618
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        "id": "-2_11",
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        "smiles": "O=P([O-])([O-])[C@@H](O)c1cccc([C@H](O)P(=O)([O-])O)[nH+]1",
        "std_free_energy": -12.329611778259277,
        "relative_population": 0.13836221525505912
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        "id": "-2_15",
        "charge": -2,
        "smiles": "O=P([O-])(O)[C@@H](O)c1cccc([C@H](O)P(=O)([O-])O)n1",
        "std_free_energy": -13.81727409362793,
        "relative_population": 0.6124928752553245
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.57000017166138,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.57999992370606,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]