[
  {
    "molid": "mol33218",
    "smiles": "CCCCCCN=C(N)NC(=N)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCN=C(N)NC(=N)N",
        "std_free_energy": 0.9166034460067749,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCN=C(N)NC(N)=[NH2+]",
        "std_free_energy": -10.700345039367676,
        "relative_population": 0.7053596721733059
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCC[NH+]=C(N)NC(=N)N",
        "std_free_energy": -9.827392578125,
        "relative_population": 0.29464032782669414
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCCCCC[NH+]=C(N)NC(N)=[NH2+]",
        "std_free_energy": -9.933687210083008,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCN=C(N)NC(=[N-])N",
        "std_free_energy": 7.495697021484375,
        "relative_population": 0.7148213857793023
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCN=C(N)[N-]C(=N)N",
        "std_free_energy": 8.469233512878418,
        "relative_population": 0.27002004851294426
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.3,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]