pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	AttenGpKa training set	0	-1	C/[NH+]=C\c1c(COP(=O)([O-])O)cnc(C)c1O,C/N=C\c1c(COP(=O)([O-])O)c[nH+]c(C)c1O,C/[NH+]=C\c1c(COP(=O)([O-])O)c[nH+]c(C)c1[O-]	C/N=C\c1c(COP(=O)([O-])[O-])c[nH+]c(C)c1O,C/[NH+]=C\c1c(COP(=O)([O-])[O-])cnc(C)c1O,C/N=C\c1c(COP(=O)([O-])O)cnc(C)c1O	mol29030	C/N=C\c1c(COP(=O)(O)O)cnc(C)c1O
11.4	AttenGpKa training set	-2	-3	C/[NH+]=C\c1c(COP(=O)([O-])[O-])cnc(C)c1[O-],C/N=C\c1c(COP(=O)([O-])[O-])cnc(C)c1O	C/N=C\c1c(COP(=O)([O-])[O-])cnc(C)c1[O-]	mol29030	C/N=C\c1c(COP(=O)(O)O)cnc(C)c1O