pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	OCHEM	0	-1	CSc1nc2c(O)c3cc(C)ccc3nc2s1	CSc1nc2c([O-])c3cc(C)ccc3nc2s1	mol17940	CSc1nc2c(O)c3cc(C)ccc3nc2s1
9.9	AttenGpKa training set	0	-1	CSc1nc2c(O)c3cc(C)ccc3nc2s1	CSc1nc2c([O-])c3cc(C)ccc3nc2s1	mol17940	CSc1nc2c(O)c3cc(C)ccc3nc2s1
0.8	AttenGpKa training set	1	0	CSc1nc2c(O)c3cc(C)ccc3[nH+]c2s1,CSc1[nH+]c2c(O)c3cc(C)ccc3nc2s1	CSc1nc2c(O)c3cc(C)ccc3nc2s1	mol17940	CSc1nc2c(O)c3cc(C)ccc3nc2s1