pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89000010490417	QSARToolbox	2	1	CC(C)(C)[C@@H]1CSC(Nc2ccc[nH+]c2)=[NH+]1	CC(C)(C)[C@@H]1CSC(Nc2ccc[nH+]c2)=N1,CC(C)(C)[C@@H]1CSC(Nc2cccnc2)=[NH+]1	mol35011	CC(C)(C)C1CSC(Nc2cccnc2)=N1