pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	OCHEM	1	0	COc1c[nH+]c(C(=O)Nc2ccc(F)c([C@]3(C)COCC(N)=N3)c2)cn1,COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)COCC(N)=[NH+]3)c2)cn1,COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)COCC(N)=N3)c2)c[nH+]1	COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)COCC(N)=N3)c2)cn1	mol19817	COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)COCC(N)=N3)c2)cn1