pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.78	IUPAC digitized pKa	1	0	CSc1[nH+]c2cnc(C)nc2n1C,CSc1nc2cnc(C)[nH+]c2n1C,CSc1nc2c[nH+]c(C)nc2n1C	CSc1nc2cnc(C)nc2n1C	mol8292	CSc1nc2cnc(C)nc2n1C
3.83	AttenGpKa training set	1	0	CSc1[nH+]c2cnc(C)nc2n1C,CSc1nc2cnc(C)[nH+]c2n1C,CSc1nc2c[nH+]c(C)nc2n1C	CSc1nc2cnc(C)nc2n1C	mol8292	CSc1nc2cnc(C)nc2n1C