[
  {
    "molid": "mol2967",
    "smiles": "Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O",
        "std_free_energy": -7.019627094268799,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]c1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O",
        "std_free_energy": 4.308261871337891,
        "relative_population": 0.21329390995066172
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1cccc2c1C(=O)N([C@H]1CCC(=O)[N-]C1=O)C2=O",
        "std_free_energy": 3.0030782222747803,
        "relative_population": 0.7867060900493383
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]