[
  {
    "molid": "mol37735",
    "smiles": "COCC(C)OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COC[C@H](C)OC(=O)[C@@H]([NH3+])Cc1ccc([O-])c(O)c1",
        "std_free_energy": -1.8920142650604248,
        "relative_population": 0.050197253623172546
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "COC[C@H](C)OC(=O)[C@@H](N)Cc1ccc(O)c(O)c1",
        "std_free_energy": -4.779718399047852,
        "relative_population": 0.9011434442008323
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      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC[C@H](C)OC(=O)[C@@H](N)Cc1ccc([O-])c(O)c1",
        "std_free_energy": 1.3939930200576782,
        "relative_population": 0.5954192998079361
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      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC[C@H](C)OC(=O)[C@@H](N)Cc1ccc(O)c([O-])c1",
        "std_free_energy": 1.7807364463806152,
        "relative_population": 0.4044477015697261
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    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0600004196167,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]