pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.65	AttenGpKa training set	1	0	CCNc1nc(Cl)nc([NH2+]CC)n1,CCNc1nc(Cl)[nH+]c(NCC)n1,CCNc1nc(Cl)nc(NCC)[nH+]1	CCNc1nc(Cl)nc(NCC)n1	mol25807	CCNc1nc(Cl)nc(NCC)n1