pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.522	Novartis	1	0	COc1cccc2[nH]cc(-c3ccnc(N)[nH+]3)c12,COc1cccc2[nH]cc(-c3cc[nH+]c(N)n3)c12,COc1cccc2[nH]cc(-c3ccnc([NH3+])n3)c12	COc1cccc2[nH]cc(-c3ccnc(N)n3)c12	mol2874	COc1cccc2[nH]cc(-c3ccnc(N)n3)c12