pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.98	Datawarrior	0	-1	COc1ccc(O)c(/N=N/c2nc(C)cs2)c1	COc1ccc([O-])c(/N=N/c2nc(C)cs2)c1	mol15217	COc1ccc(O)c(/N=N/c2nc(C)cs2)c1
0.77	Datawarrior	2	1	COc1ccc([O-])c(/[NH+]=[NH+]/c2[nH+]c(C)cs2)c1,COc1ccc(O)c(/[NH+]=[NH+]/c2nc(C)cs2)c1	COc1ccc(O)c(/[NH+]=N/c2nc(C)cs2)c1,COc1ccc(O)c(/N=[NH+]/c2nc(C)cs2)c1,COc1ccc(O)c(/N=N/c2[nH+]c(C)cs2)c1	mol15217	COc1ccc(O)c(/N=N/c2nc(C)cs2)c1