HMDB0252092 RDKit 3D Ethynyl 3 2 0 0 0 0 0 0 0 0999 V2000 1.1548 0.1908 0.0000 C 0 0 0 0 0 3 0 0 0 0 0 0 -0.0493 0.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1054 0.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 M RAD 1 1 2 M END