0  B6R1.2  O=C1C=CCC1 16113 [0,0,0,0,0,0|1,0,1]=2
1  B6R1.2  OC1=NNCC1 20904 [0,0,0,0,0,0|2,0,1]=3
2  B6R1.2  S=C1C=CSS1 14968 [0,0,0,0,0,0|1,1,2]=4
3  B7R1.2  O=C1CNC(=O)N1 15424 [0,1,0,0,0,0|2,0,1]=4
4  B7R1.4  CC1=CCCC1=O 16116 [0,1,0,0,0,0|1,0,1]=3
5  B7R1.4  CC1CC=CC1=O 16115 [0,1,0,0,0,0|1,0,1]=3
6  B7R1.4  OC1OCCC1F 102621 [0,1,0,0,0,0|1,1,1]=4
7  B5R0.1  CC(F)CCO 9969 [0,0,1,0,0,0|1,1,1]=4
8  B5R0.1  C\C(Br)=C/CO 103149 [0,0,1,0,0,0|1,1,1]=4
9  B5R0.1  C\C(I)=C\CO 103135 [0,0,1,0,0,0|1,1,1]=4
10  B5R0.1  N#CCC(N)=O 462 [0,0,1,0,0,0|2,0,1]=4
11  B5R0.3  COC(=O)NN 16671 [0,0,1,0,0,0|3,0,0]=4
12  B5R0.3  C\C=C(/F)CBr 100835 [0,0,1,0,0,0|2,0,1]=4
13  B5R0.3  C\C=C(/F)CO 100834 [0,0,1,0,0,0|1,1,1]=4
14  B5R0.3  NCC(=O)NO 456 [0,0,1,0,0,0|2,1,0]=4
15  B7R1.3  FC1CCCCC1 102292 [0,0,0,0,0,1|2,0,1]=4
16  B7R1.3  O=C1C=CCCC1 19980 [0,0,0,0,0,1|1,0,1]=3
17  B7R1.3  O=C1CSC=CN1 13338 [0,0,0,0,0,1|0,0,2]=3
18  B4R0.1  NCC(=O)O 21671 [1,0,1,0,0,0|1,1,0]=4
19  B4R0.2  C\C=C/CO 102650 [1,0,1,0,0,0|0,1,1]=4
20  B8R1.2  ON=C1CCCCC1 19847 [0,1,0,0,0,1|1,0,1]=4
21  B8R1.3  CC1=CCC(=O)CC1 102607 [0,1,0,0,0,1|1,0,0]=3
22  B8R1.4  CC1=CC(=O)CCC1 19984 [0,1,0,0,0,1|1,0,1]=4
23  B8R1.4  CC1=CSCC(=O)N1 13339 [0,1,0,0,0,1|0,0,2]=4
24  B8R1.4  O=C1C=C(O)CCC1 19981 [0,1,0,0,0,1|1,0,1]=4
25  B8R1.4  O=C1CSCC(=O)N1 22433 [0,1,0,0,0,1|0,0,1]=3
26  B8R1.1  O=C1CC[C@H](CBr)N1 22002 [0,2,0,0,0,0|2,0,0]=4
27  B8R1.1  O=C1CC[C@H](CBr)O1 21988 [0,2,0,0,0,0|2,0,0]=4
28  B8R1.1  [NH3+]C[C@H]1CCC(=O)O1 21998 [0,2,0,0,0,0|2,0,0]=4
29  B8R1.11  CCC1=CCCC1=O 16118 [0,2,0,0,0,0|1,0,1]=4
30  B8R1.11  CCC1CC=CC1=O 16117 [0,2,0,0,0,0|1,0,1]=4
31  B8R1.50  CC1=CCC(C)C1=O 16114 [0,2,0,0,0,0|1,0,1]=4
32  B8R1.50  CC1C(=O)CCC1=O 13753 [0,2,0,0,0,0|1,0,0]=3