pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.96	AttenGpKa training set	0	-1	CNNC(=O)c1ccncc1	CN[N-]C(=O)c1ccncc1	mol24755	CNNC(=O)c1ccncc1
4.04	AttenGpKa training set	1	0	C[NH2+]NC(=O)c1ccncc1,CNNC(=O)c1cc[nH+]cc1	CNNC(=O)c1ccncc1	mol24755	CNNC(=O)c1ccncc1
2.46	AttenGpKa training set	2	1	C[NH2+]NC(=O)c1cc[nH+]cc1	C[NH2+]NC(=O)c1ccncc1,CNNC(=O)c1cc[nH+]cc1	mol24755	CNNC(=O)c1ccncc1