pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.5500001907349	QSARToolbox	-2	-3	Cc1ncc(C[O-])c(/C=N/NC(=S)Nc2ccccc2)c1[O-],Cc1ncc(C[O-])c(/C=N/[N-]C(=S)Nc2ccccc2)c1O,Cc1ncc(CO)c(/C=N/NC(=S)[N-]c2ccccc2)c1[O-],Cc1ncc(CO)c(/C=N/[N-]C(=S)Nc2ccccc2)c1[O-],Cc1ncc(C[O-])c(/C=N/NC(=S)[N-]c2ccccc2)c1O,Cc1ncc(CO)c(/C=N/[N-]C(=S)[N-]c2ccccc2)c1O	Cc1ncc(CO)c(/C=N/[N-]C(=S)[N-]c2ccccc2)c1[O-],Cc1ncc(C[O-])c(/C=N/[N-]C(=S)Nc2ccccc2)c1[O-],Cc1ncc(C[O-])c(/C=N/NC(=S)[N-]c2ccccc2)c1[O-],Cc1ncc(C[O-])c(/C=N/[N-]C(=S)[N-]c2ccccc2)c1O	mol36016	Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccccc2)c1O