pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Datawarrior	1	0	Cn1c2c(sc1=N[NH3+])CCCC2,Cn1c2c(sc1=[NH+]N)CCCC2	Cn1c2c(sc1=NN)CCCC2	mol12852	Cn1c2c(sc1=NN)CCCC2
8.1999998	OCHEM	1	0	Cn1c2c(sc1=N[NH3+])CCCC2,Cn1c2c(sc1=[NH+]N)CCCC2	Cn1c2c(sc1=NN)CCCC2	mol12852	Cn1c2c(sc1=NN)CCCC2