pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Baltruschat ChEMBL	1	0	COc1c(C)cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)[nH+]c1C,COc1c(C)cc([C@]2(c3cccc(-c4cncnc4)c3)[NH+]=C(N)c3c(F)cccc32)nc1C	COc1c(C)cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)nc1C	mol19677	COc1c(C)cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)nc1C