pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.64	AttenGpKa training set	1	0	CC(C)n1c[nH+]c2c(N)nc(NC(=N)N)nc21,CC(C)n1cnc2c(N)nc(NC(N)=[NH2+])nc21,CC(C)n1cnc2c([NH3+])nc(NC(=N)N)nc21,CC(C)n1cnc2c(N)nc(NC(=N)N)[nH+]c21,CC(C)n1cnc2c(N)[nH+]c(NC(=N)N)nc21	CC(C)n1cnc2c(N)nc(NC(=N)N)nc21	mol29630	CC(C)n1cnc2c(N)nc(NC(=N)N)nc21