pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.5	AttenGpKa training set	0	-1	N=C(N)NCCCCN	N=C([NH-])NCCCCN,N=C(N)[N-]CCCCN,[N-]=C(N)NCCCCN	mol28016	N=C(N)NCCCCN
9.0	AttenGpKa training set	2	1	NC(=[NH2+])NCCCC[NH3+]	N=C(N)NCCCC[NH3+],NCCCCNC(N)=[NH2+]	mol28016	N=C(N)NCCCCN