0  B5R0.2  CSCCC#N 371092 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.2  N#CCCC=O 101160 [0,0,0,0,0,0|1,0,1]=2
2  B4R0.2  CCN=C=O 386377 [1,0,0,0,0,0|1,0,2]=4
3  B4R0.2  COCC=O 105128 [1,0,0,0,0,0|1,0,1]=3
4  B4R0.2  CSCCBr 472152 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.4  CCCCC(C)=O 098350 [0,1,0,0,0,0|0,0,2]=3
6  B6R0.4  O=CNCC(=O)O 242940 [0,1,0,0,0,0|2,0,0]=3
7  B6R1.1  C1=CC=NC=C1 105575 [0,0,0,1,0,0|1,0,2]=4
8  B3R0.1  N[13CH2][13CH2]O 105350 [2,0,0,0,0,0|1,0,1]=4
9  B3R0.1  [C-]#[N+]CC 433365 [2,0,0,0,0,0|1,0,1]=4
10  B5R0.1  [2H]C(=O)OCC 105259 [1,1,0,0,0,0|1,0,1]=4
11  B7R0.2  C=CC(C)CC(=O)O 229282 [0,2,0,0,0,0|0,0,0]=2
12  B7R0.3  C=CCOC(=O)CBr 246134 [0,2,0,0,0,0|1,0,0]=3
13  B7R0.5  C=CCC(F)C(C)=O 049763 [0,2,0,0,0,0|0,0,0]=2
14  B7R0.5  NC(=O)C(Br)CCBr 105247 [0,2,0,0,0,0|1,0,1]=4
15  B7R0.11  C=CC(C)(C)CCBr 105163 [0,2,0,0,0,0|1,0,1]=4
16  B7R0.4  CNCCCC(=O)O 242011 [0,2,0,0,0,0|0,0,2]=4
17  B7R0.6  CN(C)CCC(N)=O 043225 [0,2,0,0,0,0|1,0,1]=4