pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89	AttenGpKa training set	1	0	N=C(N)Nc1ccc(O)c2[nH+]cccc12,NC(=[NH2+])Nc1ccc(O)c2ncccc12	N=C(N)Nc1ccc(O)c2ncccc12,NC(=[NH2+])Nc1ccc([O-])c2ncccc12,N=C(N)Nc1ccc([O-])c2[nH+]cccc12	mol26084	N=C(N)Nc1ccc(O)c2ncccc12
3.97	AttenGpKa training set	2	1	NC(=[NH2+])Nc1ccc(O)c2[nH+]cccc12	N=C(N)Nc1ccc(O)c2[nH+]cccc12,NC(=[NH2+])Nc1ccc(O)c2ncccc12	mol26084	N=C(N)Nc1ccc(O)c2ncccc12
11.8	AttenGpKa training set	-1	-2	[N-]=C(N)Nc1ccc(O)c2ncccc12,N=C([NH-])Nc1ccc(O)c2ncccc12,N=C(N)Nc1ccc([O-])c2ncccc12	[N-]=C(N)[N-]c1ccc(O)c2ncccc12,[N-]=C(N)Nc1ccc([O-])c2ncccc12,[N-]=C([NH-])Nc1ccc(O)c2ncccc12	mol26084	N=C(N)Nc1ccc(O)c2ncccc12