[
  {
    "molid": "mol27346",
    "smiles": "Cc1ccc(C2(c3ccccc3)C(=O)NC(=O)C2C(N)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc([C@]2(c3ccccc3)C(=O)NC(=O)[C@@H]2C(N)=O)cc1",
        "std_free_energy": -5.4081573486328125,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc([C@]2(c3ccccc3)C(=O)NC(=O)[C-]2C(N)=O)cc1",
        "std_free_energy": -1.3701127767562866,
        "relative_population": 0.37170081374508507
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc([C@]2(c3ccccc3)C(=O)[N-]C(=O)[C@@H]2C(N)=O)cc1",
        "std_free_energy": -1.6796234846115112,
        "relative_population": 0.5065383185388769
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1ccc([C@]2(c3ccccc3)C(=O)NC(=O)[C@@H]2C([NH-])=O)cc1",
        "std_free_energy": -0.2540825307369232,
        "relative_population": 0.1217608677160379
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]