Since ML and quantum chemical methods predict shielding tensors or shifts respectively for each atom, it is necessary to combine proton and carbon results to reconstruct the HSQC result. This process must recognize molecule symmetry and chirality to perform pea k splitting or peak consolidation. In an HSQC NMR experiment, the number of peaks appearing in the spectrum corresponds to the unique carbonhydrogen bond pairs present in the molecule being measured. In symmetric molecules, peaks of distinct H -C couplings can be coincided in the same position. However, in chiral compounds, these symmetric peaks experience different chemical environments and, as a re sult, do not merge into a single peak. We developed an approach for this mapping that depends on the distance between symmetric ato ms and the chiral center, with some additional logic implemented to make the chirality split reliant on the difference in proximity to s urrounding functional groups and the chiral center. A comprehensive explanation of the HSQC generation logic implemented here is provided in the Supplementary Text 3.