pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.6	AttenGpKa training set	1	0	CC(C)Nc1nc(Cl)[nH+]c(NC2CC2)n1,CC(C)Nc1nc(NC2CC2)nc(Cl)[nH+]1,CC(C)Nc1nc(Cl)nc(NC2CC2)[nH+]1,CC(C)Nc1nc(Cl)nc([NH2+]C2CC2)n1,CC(C)[NH2+]c1nc(Cl)nc(NC2CC2)n1	CC(C)Nc1nc(Cl)nc(NC2CC2)n1	mol25823	CC(C)Nc1nc(Cl)nc(NC2CC2)n1