[
  {
    "molid": "mol29420",
    "smiles": "CCC(NC(N)=O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H](NC(N)=O)C(=O)O",
        "std_free_energy": -3.1172096729278564,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC[C@@H](NC(N)=O)C(=O)[O-]",
        "std_free_energy": -10.496232032775879,
        "relative_population": 0.9999999175126284
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8816,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.89,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]