#rdkit symbol shift mult coup 1 C 15.605601965602 s NA 2 C 142.968452088452 s NA 4 C 118.848845208845 s NA 5 C 46.1365110565111 s NA 25 C 131.852186732187 s NA 20 C 135.48058968059 s NA 18 C 146.098083538084 s NA 17 C 128.372972972973 s NA 16 C 125.131695331695 s NA 15 C 130.801179361179 s NA 13 C 144.052972972973 s NA 12 C 125.188697788698 s NA 11 C 132.173955773956 s NA 9 C 179.310663390663 s NA 8 C 100.529926289926 s NA 7 C 138.559508599509 s NA 14 C 20.244914004914 s NA 21 C 131.159705159705 s NA 22 C 122.610024570025 s NA 23 C 130.980343980344 s NA 24 C 113.161474201474 s NA 3 C 25.0485503685504 s NA