pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	AttenGpKa training set	1	0	NCCNC[NH3+],NCNCC[NH3+],NCC[NH2+]CN	NCCNCN	mol24466	NCCNCN
7.9	AttenGpKa training set	2	1	[NH3+]CCNC[NH3+]	NCCNC[NH3+],NCNCC[NH3+],NCC[NH2+]CN	mol24466	NCCNCN
3.6	AttenGpKa training set	3	2	[NH3+]CC[NH2+]C[NH3+]	[NH3+]CCNC[NH3+]	mol24466	NCCNCN