[
  {
    "molid": "mol27356",
    "smiles": "Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)C2C(N)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)[C@H]2C(N)=O)cc1",
        "std_free_energy": -5.516108512878418,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(C2(c3ccc(C)cc3)C(=O)[N-]C(=O)[C@H]2C(N)=O)cc1",
        "std_free_energy": -1.3760409355163574,
        "relative_population": 0.48243049569328944
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)[C-]2C(N)=O)cc1",
        "std_free_energy": -1.2594172954559326,
        "relative_population": 0.42932457586825423
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)[C@H]2C([NH-])=O)cc1",
        "std_free_energy": 0.32267969846725464,
        "relative_population": 0.08824492843845623
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.51,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]