[
  {
    "molid": "mol32534",
    "smiles": "C=CC(C)=CC(C)C(=O)CC(O)CC1CC(=O)NC(=O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=CC(C)=C[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1",
        "std_free_energy": -6.7874650955200195,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C=CC(C)=C[C@@H](C)C(=O)[CH-][C@H](O)CC1CC(=O)NC(=O)C1",
        "std_free_energy": 5.26378059387207,
        "relative_population": 0.23916281861772062
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C=CC(C)=C[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)[N-]C(=O)C1",
        "std_free_energy": 4.4286112785339355,
        "relative_population": 0.5513191630664802
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "C=CC(C)=C[C-](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1",
        "std_free_energy": 5.512650489807129,
        "relative_population": 0.18647080280391673
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]