[
  {
    "molid": "mol29601",
    "smiles": "CC1(Cc2ccccc2)NNC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@]1(Cc2ccccc2)NNC(=O)NC1=O",
        "std_free_energy": -6.548980236053467,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@]1(Cc2ccccc2)N[N-]C(=O)NC1=O",
        "std_free_energy": -1.7323052883148193,
        "relative_population": 0.30298962129428486
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@]1(Cc2ccccc2)NNC(=O)[N-]C1=O",
        "std_free_energy": -2.5654070377349854,
        "relative_population": 0.6970103787057153
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.43,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]