pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.87	IUPAC digitized pKa	1	0	CNc1nc(C)[nH+]c(SC)c1NC=O,CNc1[nH+]c(C)nc(SC)c1NC=O,C[NH2+]c1nc(C)nc(SC)c1NC=O	CNc1nc(C)nc(SC)c1NC=O	mol7457	CNc1nc(C)nc(SC)c1NC=O
3.92	AttenGpKa training set	1	0	CNc1nc(C)[nH+]c(SC)c1NC=O,CNc1[nH+]c(C)nc(SC)c1NC=O,C[NH2+]c1nc(C)nc(SC)c1NC=O	CNc1nc(C)nc(SC)c1NC=O	mol7457	CNc1nc(C)nc(SC)c1NC=O