pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Baltruschat ChEMBL	1	0	COc1cc(/C=C2\CCCN3C2=NO[C@@]3(C)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1,COc1cc(/C=C2\CCCN3C2=[NH+]O[C@@]3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1	COc1cc(/C=C2\CCCN3C2=NO[C@@]3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1	mol16391	COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1