#rdkit symbol shift mult coup 1 C 12.2979852579853 s NA 2 C 20.9503685503686 s NA 3 C 38.5366093366093 s NA 4 C 73.9466339066339 s NA 15 C 61.4202457002457 s NA 14 C 109.217592137592 s NA 6 C 159.536412776413 s NA 8 C 162.735626535627 s NA 10 C 87.9679606879607 s NA 11 C 169.516265356265 s NA 13 C 52.1639312039312 s NA 5 C 33.74457002457 s NA