pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5699999332428	QSARToolbox	2	1	CC(C)(C)c1csc([NH2+]c2cccnc2)[nH+]1,CC(C)(C)c1csc([NH2+]c2ccc[nH+]c2)n1	CC(C)(C)c1csc(Nc2ccc[nH+]c2)n1,CC(C)(C)c1csc(Nc2cccnc2)[nH+]1,CC(C)(C)c1csc([NH2+]c2cccnc2)n1	mol35041	CC(C)(C)c1csc(Nc2cccnc2)n1