[
  {
    "molid": "mol29476",
    "smiles": "CON(C)c1ccnc(C(=O)N2CCCC2C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CON(C)c1cc[nH+]c(C(=O)N2CCC[C@H]2C(=O)[O-])c1",
        "std_free_energy": -8.814963340759277,
        "relative_population": 0.9732254909335194
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CON(C)c1ccnc(C(=O)N2CCC[C@H]2C(=O)[O-])c1",
        "std_free_energy": -9.372488975524902,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.66,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]