pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.23000001907349	QSARToolbox	1	0	COc1[nH+]cnc2c1N=C(N)C(C)(C)S2,COc1ncnc2c1[NH+]=C(N)C(C)(C)S2,COc1nc[nH+]c2c1N=C(N)C(C)(C)S2	COc1ncnc2c1N=C(N)C(C)(C)S2	mol34879	COc1ncnc2c1N=C(N)C(C)(C)S2