pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.61	Hunt	0	-1	O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1	O=C([N-]c1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1,O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc([N-]c2ccccc2F)o1	mol546	O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1
6.17	Hunt	0	-1	O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1	O=C([N-]c1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1,O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc([N-]c2ccccc2F)o1	mol546	O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1