pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.42999982833862	QSARToolbox	1	0	CN1C(=[OH+])/C(=N/NC(N)=S)c2cc(S(=O)(=O)O)ccc21,CN1C(=O)/C(=[NH+]/NC(N)=S)c2cc(S(=O)(=O)O)ccc21	CN1C(=O)/C(=N/NC(N)=S)c2cc(S(=O)(=O)O)ccc21	mol36455	CN1C(=O)/C(=N/NC(N)=S)c2cc(S(=O)(=O)O)ccc21