0  B5R0.2  CCOCC#N 104806 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.2  CSCCC#N 371092 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.2  N#CCCC=O 101160 [0,0,0,0,0,0|2,0,1]=3
3  B4R0.2  CCN=C=O 386377 [1,0,0,0,0,0|1,0,1]=3
4  B4R0.2  COCC=O 105128 [1,0,0,0,0,0|1,0,0]=2
5  B4R0.2  CSCCBr 472152 [1,0,0,0,0,0|1,1,1]=4
6  B6R0.4  CC(C)CCCBr 113000 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.4  CCCCC(C)=O 098350 [0,1,0,0,0,0|1,0,0]=2
8  B6R0.4  O=CNCC(=O)O 242940 [0,1,0,0,0,0|2,0,1]=4
9  B6R1.6  ON=C1CCC1 069003 [0,0,0,1,0,0|2,0,1]=4
10  B3R0.1  N[13CH2][13CH2]O 105350 [2,0,0,0,0,0|1,0,0]=3
11  B3R0.1  [C-]#[N+]CC 433365 [2,0,0,0,0,0|1,0,1]=4
12  B5R0.1  CCOC(=S)Cl 470560 [1,1,0,0,0,0|0,1,0]=3
13  B5R0.1  CCOC(N)=S 105176 [1,1,0,0,0,0|0,1,0]=3
14  B5R0.1  [2H]C(=O)OCC 105259 [1,1,0,0,0,0|0,0,0]=2
15  B5R0.3  CCC(S)CC 105148 [1,1,0,0,0,0|1,0,1]=4
16  B7R0.3  C=CCOC(=O)CBr 246134 [0,2,0,0,0,0|0,0,2]=4
17  B7R0.3  CCC(C)CN=C=O 097761 [0,2,0,0,0,0|1,0,1]=4
18  B7R0.5  NC(=O)C(Br)CCBr 105247 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.4  CNCCCC(=O)O 242011 [0,2,0,0,0,0|1,0,0]=3
20  B7R0.4  O=[N+]([O-])OCCCBr 105835 [0,2,0,0,0,0|1,0,0]=3
21  B7R0.6  CN(C)CCC(N)=O 043225 [0,2,0,0,0,0|2,0,0]=4
22  B7R0.8  CC(C)(C)CN=C=O 105136 [0,2,0,0,0,0|1,0,1]=4
23  B7R0.8  CCCCS(=O)(=O)F 070503 [0,2,0,0,0,0|2,0,0]=4
24  B7R0.8  CCCNS([NH-])(=O)=O 095840 [0,2,0,0,0,0|2,0,0]=4
25  B7R0.1  CCCCCN=C=O 050959 [0,2,0,0,0,0|1,0,1]=4
26  B7R0.1  CCOCCOCC 106089 [0,2,0,0,0,0|1,0,1]=4
27  B7R0.1  COCCOCCN 222494 [0,2,0,0,0,0|1,0,1]=4
28  B5R1.1  C1CCOC1 046883 [1,0,0,1,0,0|0,0,1]=3
29  B5R1.1  C1CCOC1 046883 [1,0,0,1,0,0|0,0,1]=3
30  B5R1.1  C1CCOC1 106169 [1,0,0,1,0,0|0,0,1]=3
31  B7R1.20  NC(=S)NC1CC1 208666 [0,1,0,1,0,0|1,1,0]=4