pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.65	Baltruschat ChEMBL	1	0	COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH2+]CCCC(N)=O)c3ccccc3)c2=O)c1F	COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(N)=O)c3ccccc3)c2=O)c1F	mol16332	COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(N)=O)c3ccccc3)c2=O)c1F