0  B5R0.1  C=COC(=O)Cl 101273 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  CCCS(=O)[O-] 035598 [0,0,0,0,0,0|1,0,3]=4
2  B5R0.1  C\C=N\N(C)C 101274 [0,0,0,0,0,0|4,0,0]=4
3  B5R0.1  NC(=O)NCO 101312 [0,0,0,0,0,0|3,0,1]=4
4  B5R0.1  NC(=O)\C=C\Cl 180013 [0,0,0,0,0,0|2,0,0]=2
5  B5R0.1  O=C(O)\C=C\Cl 180014 [0,0,0,0,0,0|1,0,0]=1
6  B4R0.1  [2H]OC([2H])=O 102711 [1,0,0,0,0,0|3,0,0]=4
7  B4R0.2  C=CCC=C 102032 [1,0,0,0,0,0|1,0,2]=4
8  B6R0.3  C=CC(C)C(=O)O 103612 [0,1,0,0,0,0|0,0,2]=3
9  B6R0.3  O=C(O)C(=O)CF 104062 [0,1,0,0,0,0|1,0,1]=3
10  B6R0.4  COCNC(N)=O 101307 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.4  NCCCC(N)=O 373559 [0,1,0,0,0,0|1,0,2]=4
12  B6R1.2  O=C1OCCO1 075946 [0,0,0,1,0,0|1,0,1]=3
13  B6R1.2  OC1=NN=CS1 313117 [0,0,0,1,0,0|3,0,0]=4
14  B3R0.1  C=CC=O 103755 [2,0,0,0,0,0|0,0,0]=2
15  B3R0.1  O=CCBr 105198 [2,0,0,0,0,0|1,0,1]=4
16  B3R0.2  O=[N+]([O-])O 102497 [2,0,0,0,0,0|2,0,0]=4
17  B5R0.5  C[C@H](N)C(N)=O 094668 [1,1,0,0,0,0|1,0,1]=4
18  B5R0.2  CC\C=C\CBr 104983 [1,1,0,0,0,0|1,0,1]=4
19  B7R0.10  COC(=O)C(Cl)C=O 070635 [0,2,0,0,0,0|1,0,1]=4
20  B7R0.16  CC(C)[C@@H](Br)C(=O)O 209858 [0,2,0,0,0,0|0,0,2]=4
21  B7R0.13  CC[C@@](C)(N)C(=O)O 048166 [0,2,0,0,0,0|0,0,2]=4
22  B7R0.4  COCCCC(=O)O 234024 [0,2,0,0,0,0|0,0,2]=4
23  B5R1.1  C1=CN[NH+]=C1 180087 [1,0,0,1,0,0|2,0,0]=4
24  B7R1.2  CC1=CC=C([Mg+])S1 399696 [0,1,0,1,0,0|1,1,0]=4
25  B7R1.2  CC1COC(=O)O1 102084 [0,1,0,1,0,0|0,0,2]=4
26  B7R1.12  O=C(O)[C@H]1C[C@@H]1F 037362 [0,1,0,1,0,0|0,0,2]=4