pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.22	AttenGpKa training set	0	-1	CC1(C)OC[C@H]([C@H]2OC(=O)C(O)=C2OP(=O)(N2CCOCC2)N2CCOCC2)O1	CC1(C)OC[C@H]([C@H]2OC(=O)C([O-])=C2OP(=O)(N2CCOCC2)N2CCOCC2)O1	mol31313	CC1(C)OCC(C2OC(=O)C(O)=C2OP(=O)(N2CCOCC2)N2CCOCC2)O1