0  B3R0.2  C[S+](C)C AB01061 [0,0,0,0,0,0|4,0,0]=4
1  B2R0.1  C(=S)N AB42997 [1,0,0,0,0,0|1,1,0]=3
2  B4R0.1  B(CC)(O)O AB08033 [0,1,0,0,0,0|2,0,0]=3
3  B4R0.1  C#CC(=O)N MB03070 [0,1,0,0,0,0|2,0,0]=3
4  B4R0.1  C(C(=N)N)Cl AB02229 [0,1,0,0,0,0|3,0,0]=4
5  B4R0.1  C(C(=N)N)O AB12726 [0,1,0,0,0,0|2,0,0]=3
6  B4R0.1  C(C(=N)N)O AB21804 [0,1,0,0,0,0|2,0,0]=3
7  B4R0.1  C=C(CBr)I MB13667 [0,1,0,0,0,0|3,0,0]=4
8  B4R0.1  C=C[N+](=O)[O-] CB10433 [0,1,0,0,0,0|2,0,1]=4
9  B4R0.1  CC(=N)NN AB09895 [0,1,0,0,0,0|3,0,0]=4
10  B4R0.1  CC(=O)C=O AB00820 [0,1,0,0,0,0|1,0,1]=3
11  B4R0.1  CC(=O)NN AB00888 [0,1,0,0,0,0|2,0,0]=3
12  B4R0.1  CC(=O)NO AB01014 [0,1,0,0,0,0|1,0,0]=2
13  B4R0.1  CCC(=N)N AB07703 [0,1,0,0,0,0|3,0,0]=4
14  B4R0.1  C\C(=N\O)\N AB06530 [0,1,0,0,0,0|2,0,0]=3
15  B4R0.1  C\C=C(/C)\Br AB00105 [0,1,0,0,0,0|3,0,0]=4
16  B3R0.1  C(=O)NN AB00881 [1,1,0,0,0,0|1,0,0]=3
17  B3R0.1  C\C=C/I AB73504 [1,1,0,0,0,0|2,0,0]=4
18  B3R0.1  C\C=C\Br AB00109 [1,1,0,0,0,0|2,0,0]=4
19  B5R0.1  B(CCC)(O)O AB08045 [0,2,0,0,0,0|2,0,0]=4
20  B5R0.1  B(\C=C\C)(O)O AB11274 [0,2,0,0,0,0|2,0,0]=4
21  B5R0.1  C#CCC(=O)O AB11673 [0,2,0,0,0,0|1,0,0]=3
22  B5R0.1  C(CO)C(=N)N AB48909 [0,2,0,0,0,0|2,0,0]=4
23  B5R0.1  C(CO)[N+](=O)[O-] AB00877 [0,2,0,0,0,0|1,0,1]=4
24  B5R0.1  CC(=O)\C=N\O AB00206 [0,2,0,0,0,0|1,0,0]=3
25  B5R0.3  C=C(CO)CO PB20901 [0,2,0,0,0,0|1,0,0]=3
26  B5R0.3  CCC(=O)C=O AB21438 [0,2,0,0,0,0|1,0,1]=4
27  B5R0.3  CCC(=O)NN PB26058 [0,2,0,0,0,0|2,0,0]=4
28  B5R0.3  COC(=O)CN AB01112 [0,2,0,0,0,0|1,0,0]=3
29  B5R0.5  B(C(C)C)(O)O AB08847 [0,2,0,0,0,0|2,0,0]=4
30  B5R0.5  CC(C(=O)N)N AB43014 [0,2,0,0,0,0|2,0,0]=4
31  B5R0.5  C[C@@H](C(=O)O)Br AB03774 [0,2,0,0,0,0|1,0,0]=3
32  B5R0.5  C[C@@H](C(=O)O)N AB02601 [0,2,0,0,0,0|1,0,0]=3
33  B5R1.2  C1C(=O)CN1 PB32275 [0,1,0,1,0,0|2,0,0]=4
34  B5R1.2  C1C(=O)CO1 PB20352 [0,1,0,1,0,0|1,0,0]=3
35  B5R1.2  C1C(=O)CS1 PB29880 [0,1,0,1,0,0|1,1,0]=4
36  B5R1.2  C1C(CO1)O PB25111 [0,1,0,1,0,0|1,0,1]=4