[
  {
    "molid": "mol35839",
    "smiles": "CCOC(=O)/C(C#N)=C/c1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCOC(=O)/C(C#N)=C/c1ccc(O)c(O)c1",
        "std_free_energy": -6.176011085510254,
        "relative_population": 0.9999999786962672
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)/C(C#N)=C/c1ccc([O-])c(O)c1",
        "std_free_energy": -2.1339223384857178,
        "relative_population": 0.6272569006907605
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCOC(=O)/C(C#N)=C/c1ccc(O)c([O-])c1",
        "std_free_energy": -1.6134545803070068,
        "relative_population": 0.37274272207596415
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]