[
  {
    "molid": "mol15382",
    "smiles": "O=C(CC(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CC(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-]",
        "std_free_energy": -6.281334400177002,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CC(=O)c1ccccc1)[N-]c1ccccc1[N+](=O)[O-]",
        "std_free_energy": 2.9673030376434326,
        "relative_population": 0.10207366297444816
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([CH-]C(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-]",
        "std_free_energy": 0.7929097414016724,
        "relative_population": 0.8979263370255518
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]