[
  {
    "molid": "mol29435",
    "smiles": "NCCC(=O)N[C@@H](CO)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CCC(=O)N[C@@H](CO)C(=O)[O-]",
        "std_free_energy": -12.012561798095703,
        "relative_population": 0.9999924387649876
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "NCCC(=O)N[C@@H](CO)C(=O)[O-]",
        "std_free_energy": -5.143970489501953,
        "relative_population": 0.9993933296104771
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]