pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	OCHEM	1	0	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CC[NH+](C)CC1,COc1cc2ncnc([NH2+]c3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1,COc1cc2nc[nH+]c(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1,COc1cc2[nH+]cnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1	mol19668	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1