HMDB0061872 RDKit 3D Isothiocyanatocyclopropane 11 11 0 0 0 0 0 0 0 0999 V2000 3.3323 0.3911 0.8069 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0389 0.0062 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 -0.0048 -0.9857 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1462 -0.3756 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -0.5835 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9744 0.7418 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6335 -0.9354 -1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1005 -0.5992 1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -1.2116 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4497 1.6379 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 0.9330 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 4 1 0 4 7 1 0 5 8 1 0 5 9 1 0 6 10 1 0 6 11 1 0 M END