[
  {
    "molid": "mol32574",
    "smiles": "O=C(NN=Cc1ccccc1O)c1ccncc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(NN=Cc1ccccc1O)c1ccncc1",
        "std_free_energy": -6.766697883605957,
        "relative_population": 0.9997946486652829
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      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(NN=Cc1ccccc1O)c1cc[nH+]cc1",
        "std_free_energy": 0.8008353114128113,
        "relative_population": 0.6695261392220252
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(N[NH+]=Cc1ccccc1O)c1ccncc1",
        "std_free_energy": 1.6325160264968872,
        "relative_population": 0.29145612858589426
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]N=Cc1ccccc1O)c1ccncc1",
        "std_free_energy": -1.816022515296936,
        "relative_population": 0.3454626390120524
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      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(NN=Cc1ccccc1[O-])c1ccncc1",
        "std_free_energy": -2.455066680908203,
        "relative_population": 0.6545373609879476
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3100004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.3299999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.38999998569489,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]