[
  {
    "molid": "mol15499",
    "smiles": "Cc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(/N=N/c2ccc([NH+](C)C)cc2)cc1C",
        "std_free_energy": 1.4421818256378174,
        "relative_population": 0.8599974460943292
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(/N=[NH+]/c2ccc(N(C)C)cc2)cc1C",
        "std_free_energy": 3.257450580596924,
        "relative_population": 0.14000255390567085
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "Cc1ccc(/[NH+]=[NH+]/c2ccc(N(C)C)cc2)cc1C",
        "std_free_energy": 8.068081855773926,
        "relative_population": 0.9836335967414495
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.37,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]