pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Manchester	1	0	Cc1cn(C[C@H]2CN(c3ccc(-n4cnc(Br)c4)c(F)c3)C(=O)O2)n[nH+]1,Cc1cn(C[C@H]2CN(c3ccc(-n4cnc(Br)c4)c(F)c3)C(=O)O2)[nH+]n1,Cc1cn(C[C@H]2CN(c3ccc(-n4c[nH+]c(Br)c4)c(F)c3)C(=O)O2)nn1	Cc1cn(C[C@H]2CN(c3ccc(-n4cnc(Br)c4)c(F)c3)C(=O)O2)nn1	mol2609	Cc1cn(C[C@H]2CN(c3ccc(-n4cnc(Br)c4)c(F)c3)C(=O)O2)nn1