[
  {
    "molid": "mol29475",
    "smiles": "CC(C)CC(N)C(=O)NC(Cc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -10.98068904876709,
        "relative_population": 0.9998507334686557
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -8.407322883605957,
        "relative_population": 0.9999600628517462
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.41,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]