[
  {
    "molid": "mol33013",
    "smiles": "CCC(N)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H]([NH3+])CC(=O)[O-]",
        "std_free_energy": -12.07752513885498,
        "relative_population": 0.999984542338243
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@H]([NH3+])CC(=O)O",
        "std_free_energy": -4.586747646331787,
        "relative_population": 0.9989900985049709
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@H](N)CC(=O)[O-]",
        "std_free_energy": -4.004669666290283,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.02,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]