[
  {
    "molid": "mol33220",
    "smiles": "CN=C(N)NC(=N)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN=C(N)NC(=N)N",
        "std_free_energy": 0.07032264769077301,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]=C(N)NC(=N)N",
        "std_free_energy": -10.240673065185547,
        "relative_population": 0.36393780315631186
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN=C(N)NC(N)=[NH2+]",
        "std_free_energy": -10.798986434936523,
        "relative_population": 0.6360621968436881
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+]=C(N)NC(N)=[NH2+]",
        "std_free_energy": -0.7240097522735596,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN=C(N)NC(=[N-])N",
        "std_free_energy": 8.960087776184082,
        "relative_population": 0.6715414785393836
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CN=C(N)[N-]C(=N)N",
        "std_free_energy": 9.849020957946777,
        "relative_population": 0.27606672735338644
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.42,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.99000000953674,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]