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|0,1,0]=2
2  B4R0.1  C#CC(=O)N MB03070 [0,1,0,0,0,0|1,0,0]=2
3  B4R0.1  C(C(=N)N)Cl AB02229 [0,1,0,0,0,0|1,0,1]=3
4  B4R0.1  C(C(=N)N)O AB12726 [0,1,0,0,0,0|0,0,2]=3
5  B4R0.1  C(C(=N)N)O AB21804 [0,1,0,0,0,0|0,0,2]=3
6  B4R0.1  C=C(CBr)I MB13667 [0,1,0,0,0,0|3,0,0]=4
7  B4R0.1  C=C[N+](=O)[O-] CB10433 [0,1,0,0,0,0|3,0,0]=4
8  B4R0.1  CC(=N)NN AB09895 [0,1,0,0,0,0|1,0,1]=3
9  B4R0.1  CC(=O)C=O AB00820 [0,1,0,0,0,0|2,0,0]=3
10  B4R0.1  CC(=O)NN AB00888 [0,1,0,0,0,0|1,0,0]=2
11  B4R0.1  CC(=O)NO AB01014 [0,1,0,0,0,0|1,0,0]=2
12  B4R0.1  CCC(=N)N AB07703 [0,1,0,0,0,0|1,0,1]=3
13  B4R0.1  C\C(=N\O)\N AB06530 [0,1,0,0,0,0|1,0,1]=3
14  B4R0.1  C\C=C(/C)\Br AB00105 [0,1,0,0,0,0|3,0,0]=4
15  B3R0.1  C(=O)NN AB00881 [1,1,0,0,0,0|0,0,0]=2
16  B3R0.1  C(CCl)N AB03778 [1,1,0,0,0,0|1,0,1]=4
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  C#CCC(=O)O AB11673 [0,2,0,0,0,0|2,0,0]=4
20  B5R0.1  C(CCl)C(=N)N AB30465 [0,2,0,0,0,0|1,0,1]=4
21  B5R0.1  C(CO)C(=N)N AB48909 [0,2,0,0,0,0|0,0,2]=4
22  B5R0.1  CC(=O)\C=N\O AB00206 [0,2,0,0,0,0|1,0,1]=4
23  B5R0.3  CCC(=N)NN AB56212 [0,2,0,0,0,0|1,0,1]=4
24  B5R0.3  CCC(=O)C=O AB21438 [0,2,0,0,0,0|2,0,0]=4
25  B5R0.3  CCC(=O)NN PB26058 [0,2,0,0,0,0|1,0,0]=3
26  B5R0.3  COC(=O)CN AB01112 [0,2,0,0,0,0|1,0,0]=3
27  B5R0.3  CSC(=N)NN AB01522 [0,2,0,0,0,0|0,1,1]=4
28  B5R0.3  CS\C(=N/N)\N AB06574 [0,2,0,0,0,0|0,1,0]=3
29  B5R0.5  CC(C(=O)N)N AB43014 [0,2,0,0,0,0|0,0,0]=2
30  B5R0.5  CC(C)C(=N)N AB07702 [0,2,0,0,0,0|1,0,1]=4
31  B5R0.5  CC(C)C(=S)N AB32169 [0,2,0,0,0,0|1,1,0]=4
32  B5R0.5  C[C@@H](C(=O)O)Br AB03774 [0,2,0,0,0,0|2,0,0]=4
33  B5R0.5  C[C@@H](C(=O)O)N AB02601 [0,2,0,0,0,0|1,0,0]=3
34  B5R1.2  C1C(=O)CN1 PB32275 [0,1,0,1,0,0|1,0,0]=3
35  B5R1.2  C1C(=O)CO1 PB20352 [0,1,0,1,0,0|2,0,0]=4
36  B5R1.2  C1C(=O)CS1 PB29880 [0,1,0,1,0,0|2,0,0]=4
37  B5R1.2  C1C(CN1)N PB22346 [0,1,0,1,0,0|1,0,1]=4