pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.88000011444092	QSARToolbox	1	0	CN1C([NH3+])=CC=N[C@H]1S,CN1C(N)=CC=[NH+][C@H]1S	CN1C(N)=CC=N[C@H]1S	mol38021	CN1C(N)=CC=NC1S