pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.22	Datawarrior	1	0	CCCCCC/[NH+]=C/c1c(C)cnc(C)c1O,CCCCCC/N=C/c1c(C)c[nH+]c(C)c1O	CCCCCC/N=C/c1c(C)cnc(C)c1O,CCCCCC/N=C/c1c(C)c[nH+]c(C)c1[O-],CCCCCC/[NH+]=C/c1c(C)cnc(C)c1[O-]	mol15244	CCCCCC/N=C/c1c(C)cnc(C)c1O
3.39	Datawarrior	2	1	CCCCCC/[NH+]=C/c1c(C)c[nH+]c(C)c1O	CCCCCC/[NH+]=C/c1c(C)cnc(C)c1O,CCCCCC/N=C/c1c(C)c[nH+]c(C)c1O	mol15244	CCCCCC/N=C/c1c(C)cnc(C)c1O