[
  {
    "molid": "mol29319",
    "smiles": "CC(C)(NC(N)=O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(NC(N)=O)C(=O)O",
        "std_free_energy": -3.143160581588745,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(NC(N)=O)C(=O)[O-]",
        "std_free_energy": -10.314034461975098,
        "relative_population": 0.999999947716282
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.4615,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.46999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]