[
  {
    "molid": "mol37442",
    "smiles": "O=CNNC(=O)[C@H](Cc1ccccc1)NC=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=CNNC(=O)[C@H](Cc1ccccc1)NC=O",
        "std_free_energy": -6.475161075592041,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=CN[N-]C(=O)[C@H](Cc1ccccc1)NC=O",
        "std_free_energy": 0.11952681094408035,
        "relative_population": 0.43709165875594796
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C[N-]NC(=O)[C@H](Cc1ccccc1)NC=O",
        "std_free_energy": -0.07236924022436142,
        "relative_population": 0.5295560265345417
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.81999969482422,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]