0  B3R0.1  C(=O)NN AB00881 [0,0,0,0,0,0|3,0,1]=4
1  B3R0.1  C(CCl)N AB03778 [0,0,0,0,0,0|1,0,0]=1
2  B3R0.1  C\C=C/I AB73504 [0,0,0,0,0,0|1,1,2]=4
3  B3R0.1  C\C=C\Br AB00109 [0,0,0,0,0,0|1,1,2]=4
4  B2R0.1  C(=S)N AB42997 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  B(CC)(O)O AB08033 [0,1,0,0,0,0|3,0,0]=4
6  B4R0.1  C(C(=N)N)Cl AB02229 [0,1,0,0,0,0|1,0,1]=3
7  B4R0.1  C(C(=N)N)O AB12726 [0,1,0,0,0,0|2,0,1]=4
8  B4R0.1  C(C(=N)N)O AB21804 [0,1,0,0,0,0|2,0,1]=4
9  B4R0.1  C=C(CBr)I MB13667 [0,1,0,0,0,0|0,2,1]=4
10  B4R0.1  CCC(=N)N AB07703 [0,1,0,0,0,0|2,0,1]=4
11  B4R0.2  C#CCCN AB55798 [0,1,0,0,0,0|2,0,0]=3
12  B4R0.2  C(CN)CCl AB06220 [0,1,0,0,0,0|1,0,0]=2
13  B4R0.2  C=CCCBr AB00123 [0,1,0,0,0,0|1,1,0]=3
14  B4R0.2  C=CCCN AB14698 [0,1,0,0,0,0|2,0,0]=3
15  B4R0.2  C=CCCO AB00288 [0,1,0,0,0,0|2,0,0]=3
16  B4R1.1  C1CNC1 PB33850 [0,0,0,1,0,0|2,0,0]=3
17  B3R0.2  C[S+](C)C AB01061 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.1  B(CCC)(O)O AB08045 [0,2,0,0,0,0|2,0,0]=4
19  B5R0.1  C(CCl)C(=N)N AB30465 [0,2,0,0,0,0|1,0,0]=3
20  B5R0.1  C(CN)C(F)F AB65227 [0,2,0,0,0,0|1,1,0]=4
21  B5R0.1  C(CO)C(=N)N AB48909 [0,2,0,0,0,0|2,0,0]=4
22  B5R0.1  C(CO)C(F)F AB76811 [0,2,0,0,0,0|1,1,0]=4
23  B5R0.1  C(CO)[N+](=O)[O-] AB00877 [0,2,0,0,0,0|2,0,0]=4
24  B5R0.1  C=C(CCCl)I MB13669 [0,2,0,0,0,0|0,1,0]=3
25  B5R0.3  C=C(CO)CO PB20901 [0,2,0,0,0,0|2,0,0]=4
26  B5R0.3  C[C@@H](CO)NC AB31545 [0,2,0,0,0,0|2,0,0]=4
27  B5R0.2  C(CBr)N=C=O AB04619 [0,2,0,0,0,0|1,1,0]=4
28  B5R0.2  C(CC#N)CN AB52761 [0,2,0,0,0,0|2,0,0]=4
29  B5R0.2  C(CCl)N=C=O AB00198 [0,2,0,0,0,0|1,0,0]=3
30  B5R0.2  C(\C=C\Cl)ON AB44940 [0,2,0,0,0,0|1,0,1]=4
31  B5R0.2  COCCON MB08235 [0,2,0,0,0,0|2,0,0]=4
32  B5R1.2  C1C(CN1)N PB22346 [0,1,0,1,0,0|2,0,0]=4
33  B5R1.2  C1C(CN1)O PB18565 [0,1,0,1,0,0|2,0,0]=4
34  B5R1.2  C1C(CN1)S PB18372 [0,1,0,1,0,0|2,0,0]=4
35  B5R1.2  C1C(CO1)Br PB32639 [0,1,0,1,0,0|1,1,0]=4
36  B5R1.2  C1C(CO1)Cl PB33445 [0,1,0,1,0,0|1,0,0]=3
37  B5R1.2  C1C(CO1)F AB71732 [0,1,0,1,0,0|1,1,0]=4
38  B5R1.2  C1C(CO1)I PB20276 [0,1,0,1,0,0|1,1,0]=4
39  B5R1.2  C1C(CO1)N MB07029 [0,1,0,1,0,0|2,0,0]=4
40  B5R1.2  C1C(CO1)N PB31297 [0,1,0,1,0,0|2,0,0]=4
41  B5R1.2  C1C(CO1)O PB25111 [0,1,0,1,0,0|2,0,0]=4
42  B5R1.2  C1C(CO1)S PB31940 [0,1,0,1,0,0|2,0,0]=4
43  B5R1.2  C1C(CS1)N PB11400 [0,1,0,1,0,0|2,0,0]=4
44  B5R1.2  CC1CNC1 PB16157 [0,1,0,1,0,0|2,0,0]=4
45  B5R1.3  CNC1CC1 PB16260 [0,1,0,1,0,0|2,0,0]=4