pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	Baltruschat ChEMBL	1	0	NC1=[NH+]c2c(F)cccc2[C@H]2CCC[C@@]12F	NC1=Nc2c(F)cccc2[C@H]2CCC[C@@]12F	mol20439	NC1=Nc2c(F)cccc2[C@H]2CCC[C@@]12F