[
  {
    "molid": "mol29769",
    "smiles": "C/C=C1/C(=O)Nc2cccc(CCN(CCC)CCC)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C=C1/C(=O)Nc2cccc(CCN(CCC)CCC)c21",
        "std_free_energy": -3.6171698570251465,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C/C=C1/C(=O)Nc2cccc(CC[NH+](CCC)CCC)c21",
        "std_free_energy": -8.7894287109375,
        "relative_population": 0.9955839661106631
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.36,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]