0 B10R1.13 CC1CCC(C(C)C)CC1 HMDB0031455 [1,0,1,0,0,0|0,0,1]=3 1 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] HMDB0004827 [1,0,1,0,0,0|2,0,0]=4