[
  {
    "molid": "mol37440",
    "smiles": "NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC=O",
        "std_free_energy": -6.47739315032959,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)N[N-]C(=O)[C@H](Cc1ccccc1)NC=O",
        "std_free_energy": 0.837742269039154,
        "relative_population": 0.31127221897841845
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)[N-]NC(=O)[C@H](Cc1ccccc1)NC=O",
        "std_free_energy": 0.10538054257631302,
        "relative_population": 0.6474422225245012
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0299997329712,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]