[
  {
    "molid": "mol32490",
    "smiles": "NC(=O)CCC(N)C(=O)NC(CCC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](CCC(=O)[O-])C(=O)O",
        "std_free_energy": -6.297481536865234,
        "relative_population": 0.1513950662018283
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "NC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](CCC(=O)O)C(=O)[O-]",
        "std_free_energy": -8.020833969116211,
        "relative_population": 0.8483091939888054
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](CCC(=O)O)C(=O)O",
        "std_free_energy": 0.28709304332733154,
        "relative_population": 0.9802557587670697
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.1400001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]