pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.23	AttenGpKa training set	1	0	CC(C)n1cnc2c(NC(=N)N)nc(N)[nH+]c21,CC(C)n1cnc2c(NC(N)=[NH2+])nc(N)nc21,CC(C)n1cnc2c(NC(=N)N)nc([NH3+])nc21,CC(C)n1cnc2c(NC(=N)N)[nH+]c(N)nc21,CC(C)n1c[nH+]c2c(NC(=N)N)nc(N)nc21	CC(C)n1cnc2c(NC(=N)N)nc(N)nc21	mol29631	CC(C)n1cnc2c(NC(=N)N)nc(N)nc21