[
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    "molid": "mol2481",
    "smiles": "Nc1ccc2nccnc2n1",
    "microspecies": [
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        "smiles": "Nc1ccc2[nH+]cc[nH+]c2n1",
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        "smiles": "Nc1ccc2[nH+]ccnc2[nH+]1",
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    "macro_pka_values": [
      {
        "pka_value": 4.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": -2.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Hunt"
      }
    ]
  }
]