#rdkit symbol shift mult coup 14 C 49.3394594594595 s NA 11 C 167.689926289926 s NA 10 C 112.858083538084 s NA 15 C 154.809926289926 s NA 7 C 90.9885995085995 s NA 4 C 164.552137592138 s NA 3 C 130.1257002457 s NA 2 C 150.781425061425 s NA 1 C 11.6911056511057 s NA 9 C 24.8891400491401 s NA 8 C 25.3922358722359 s NA