pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.39	AttenGpKa training set	0	-1	CCNc1nc(O)nc(NC(C)C)n1	CCNc1nc([O-])nc(NC(C)C)n1,CC[N-]c1nc(O)nc(NC(C)C)n1,CCNc1nc(O)nc([N-]C(C)C)n1	mol25799	CCNc1nc(O)nc(NC(C)C)n1
4.95	AttenGpKa training set	1	0	CCNc1nc(O)nc(NC(C)C)[nH+]1,CC[NH2+]c1nc(O)nc(NC(C)C)n1,CCNc1nc(O)[nH+]c(NC(C)C)n1,CCNc1nc(NC(C)C)nc(O)[nH+]1,CCNc1nc(O)nc([NH2+]C(C)C)n1	CCNc1nc(O)nc(NC(C)C)n1	mol25799	CCNc1nc(O)nc(NC(C)C)n1