HMDB0253700 RDKit 3D ISOTHIOCYANIC ACID 4 3 0 0 0 0 0 0 0 0999 V2000 -0.8303 0.3966 -0.0958 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 0.1568 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9591 -0.1643 -0.0732 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5172 -0.3890 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 1 4 1 0 M END