pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.66	IUPAC digitized pKa	1	0	C[NH2+]c1nc(C)nc2scnc12,CNc1nc(C)nc2sc[nH+]c12,CNc1nc(C)[nH+]c2scnc12,CNc1[nH+]c(C)nc2scnc12	CNc1nc(C)nc2scnc12	mol8336	CNc1nc(C)nc2scnc12
3.71	AttenGpKa training set	1	0	C[NH2+]c1nc(C)nc2scnc12,CNc1nc(C)nc2sc[nH+]c12,CNc1nc(C)[nH+]c2scnc12,CNc1[nH+]c(C)nc2scnc12	CNc1nc(C)nc2scnc12	mol8336	CNc1nc(C)nc2scnc12