pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	AttenGpKa training set	1	0	CCNc1nc(Cl)nc([NH2+]C(C)(C)C)n1,CCNc1nc(Cl)nc(NC(C)(C)C)[nH+]1,CC[NH2+]c1nc(Cl)nc(NC(C)(C)C)n1,CCNc1nc(NC(C)(C)C)nc(Cl)[nH+]1,CCNc1nc(Cl)[nH+]c(NC(C)(C)C)n1	CCNc1nc(Cl)nc(NC(C)(C)C)n1	mol25827	CCNc1nc(Cl)nc(NC(C)(C)C)n1