pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-4.34	AttenGpKa training set	2	1	COc1ccc(C(=[OH+])NC(N)=[SH+])cc1	COc1ccc(C(=O)NC(N)=[SH+])cc1,COc1ccc(C(=[OH+])NC(N)=S)cc1	mol27549	COc1ccc(C(=O)NC(N)=S)cc1
-4.37	AttenGpKa training set	2	1	COc1ccc(C(=[OH+])NC(N)=[SH+])cc1	COc1ccc(C(=O)NC(N)=[SH+])cc1,COc1ccc(C(=[OH+])NC(N)=S)cc1	mol27549	COc1ccc(C(=O)NC(N)=S)cc1