[
  {
    "molid": "mol15419",
    "smiles": "C=C/C(C)=C/[C@@H](C)C(=O)C[C@@H](O)CC1CC(=O)NC(=O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C/C(C)=C/[C@@H](C)C(=O)C[C@@H](O)CC1CC(=O)NC(=O)C1",
        "std_free_energy": -6.828592300415039,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C/C(C)=C/[C@@H](C)C(=O)[CH-][C@@H](O)CC1CC(=O)NC(=O)C1",
        "std_free_energy": 5.404306888580322,
        "relative_population": 0.23887999309345764
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C=C/C(C)=C/[C@@H](C)C(=O)C[C@@H](O)CC1CC(=O)[N-]C(=O)C1",
        "std_free_energy": 4.526176452636719,
        "relative_population": 0.5748399997794074
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C=C/C(C)=C/[C-](C)C(=O)C[C@@H](O)CC1CC(=O)NC(=O)C1",
        "std_free_energy": 5.84344482421875,
        "relative_population": 0.1539800993772405
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]