[
  {
    "molid": "mol25309",
    "smiles": "CN=c1n(C)nnn1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN=c1n(C)nnn1C",
        "std_free_energy": -6.992481231689453,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]=c1n(C)nnn1C",
        "std_free_energy": 2.884322166442871,
        "relative_population": 0.6162171838923651
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN=c1n(C)n[nH+]n1C",
        "std_free_energy": 3.357844829559326,
        "relative_population": 0.38378281610763476
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]