[
  {
    "molid": "mol14633",
    "smiles": "CC1(C)S[C@H]2[C@@H](NC(=O)Cc3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)S[C@H]2[C@@H](NC(=O)Cc3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O",
        "std_free_energy": -1.9706213474273682,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)S[C@H]2[C@@H](NC(=O)Cc3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)[O-]",
        "std_free_energy": -11.109490394592285,
        "relative_population": 0.9998468029393561
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]