[
  {
    "molid": "mol4783",
    "smiles": "Cn1cnc2nccnc2c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnc2nccnc2c1=O",
        "std_free_energy": -7.713891983032227,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cnc2ncc[nH+]c2c1=O",
        "std_free_energy": 5.988417625427246,
        "relative_population": 0.10929475029493664
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c[nH+]c2nccnc2c1=O",
        "std_free_energy": 4.134019374847412,
        "relative_population": 0.6981588211685344
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1cnc2[nH+]ccnc2c1=O",
        "std_free_energy": 5.422128677368164,
        "relative_population": 0.1925464285365289
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.47,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]