0  B6R0.1  C[C@@H](CO)CCO 4679 [1,0,0,0,0,0|3,0,0]=4
1  B9R0.5  CCOC(=O)COCCBr 3245 [0,2,0,0,0,0|1,0,1]=4
2  B7R1.3  C[C@@H]1CNCCO1 906 [1,0,0,1,0,0|1,0,0]=3
3  B7R1.3  C[C@H]1CNCCO1 907 [1,0,0,1,0,0|1,0,0]=3
4  B7R1.3  NC1CCCCC1 4172 [1,0,0,1,0,0|2,0,0]=4