0  B7R1.3  BrC1=CC=NC=C1 BB58-4129 [0,0,0,0,0,0|2,0,2]=4
1  B7R1.3  ClC1=NC=CC=C1 BB01-6197 [0,0,0,0,0,0|2,0,2]=4
2  B7R1.3  FC1CCCNC1 BB31-0459 [0,0,0,0,0,0|2,0,2]=4
3  B7R1.3  NC1=CC=CN=C1 BB01-6276 [0,0,0,0,0,0|2,0,2]=4
4  B7R1.3  O=C1CCOCC1 BB53-1277 [0,0,0,0,0,0|1,0,2]=3
5  B7R1.3  O=C1CCSCC1 BB53-1260 [0,0,0,0,0,0|1,0,2]=3
6  B7R1.3  OC1=CC=CN=C1 BB17-1816 [0,0,0,0,0,0|1,0,3]=4
7  B7R1.3  OC1CCCNC1 BB01-6209 [0,0,0,0,0,0|1,0,3]=4
8  B8R1.2  O=CC1CCCCC1 BB01-6149 [0,1,0,0,0,0|0,0,3]=4
9  B8R1.3  CC1=NNC(=O)CC1 BB55-6123 [0,1,0,0,0,0|2,0,1]=4
10  B8R1.3  O=C1C=CC(=O)NN1 BB01-4412 [0,1,0,0,0,0|2,0,1]=4
11  B8R1.4  NC1=CC(=O)CCC1 BB17-0155 [0,1,0,0,0,0|0,0,0]=1
12  B8R1.5  CC1SCCNC1=O BB57-3772 [0,1,0,0,0,0|2,0,1]=4
13  B8R1.5  CN1CCCNC1=O BB58-3630 [0,1,0,0,0,0|2,0,1]=4
14  B8R1.5  NC1CCCNC1=O BB01-4609 [0,1,0,0,0,0|1,0,1]=3
15  B6R0.1  CCCC(=O)NN BB01-6388 [0,0,1,0,0,0|2,0,0]=3
16  B6R0.1  CCNC(=O)CCl BB20-1611 [0,0,1,0,0,0|2,0,1]=4
17  B6R0.1  CCOC(=O)NN BB17-2384 [0,0,1,0,0,0|3,0,0]=4
18  B6R0.1  CNC(=O)CCN BB32-2825 [0,0,1,0,0,0|2,0,1]=4
19  B6R0.4  CC(=O)NCCN BB20-2208 [0,0,1,0,0,0|2,0,1]=4
20  B6R0.4  CCNCC(=O)O BB20-0183 [0,0,1,0,0,0|2,0,1]=4
21  B6R1.2  CC1=CC=NN1 BB01-4929 [0,0,0,0,1,0|3,0,0]=4
22  B6R1.2  CC1=NNCC1 BB57-2058 [0,0,0,0,1,0|3,0,0]=4
23  B6R1.2  NC1=CC=NN1 BB01-3578 [0,0,0,0,1,0|3,0,0]=4
24  B6R1.2  NC1=NCCS1 BB01-6189 [0,0,0,0,1,0|3,0,0]=4
25  B6R1.2  NC1=NNC=C1 BB05-4058 [0,0,0,0,1,0|3,0,0]=4
26  B6R1.2  NC1=NOC=C1 BB01-1073 [0,0,0,0,1,0|3,0,0]=4
27  B6R1.2  NN1CCCC1 BB58-5312 [0,0,0,0,1,0|2,0,1]=4
28  B6R1.2  O=C1CCSC1 BB01-8335 [0,0,0,0,1,0|1,0,1]=3
29  B6R1.2  OC1=NNCC1 BB53-1267 [0,0,0,0,1,0|2,0,1]=4
30  B5R0.1  CCCC(=N)N BB01-7895 [1,0,1,0,0,0|2,0,0]=4
31  B5R0.2  CCCN=C=O BB58-3576 [1,0,1,0,0,0|1,0,1]=4
32  B5R0.3  CCC(=O)NN BB55-2154 [1,0,1,0,0,0|2,0,0]=4
33  B5R0.3  CNC(=O)CCl BB20-1612 [1,0,1,0,0,0|2,0,0]=4
34  B5R0.3  CNC(=O)CN BB58-0122 [1,0,1,0,0,0|2,0,0]=4
35  B5R0.3  COC(=O)CN BB17-0807 [1,0,1,0,0,0|2,0,0]=4
36  B7R0.2  CC(O)CC(=O)NN BB55-2167 [0,1,1,0,0,0|2,0,0]=4
37  B7R0.3  CCCNC(=O)CCl BB01-5506 [0,1,1,0,0,0|1,0,1]=4
38  B7R0.3  CNC(=O)CCCCl BB58-5055 [0,1,1,0,0,0|1,0,1]=4
39  B7R0.3  CNC(=O)CCCN BB32-0805 [0,1,1,0,0,0|1,0,1]=4
40  B7R0.3  COC(=O)CCCN BB55-8835 [0,1,1,0,0,0|1,0,1]=4
41  B7R0.3  COC(=O)CCSC BB01-5905 [0,1,1,0,0,0|1,0,1]=4
42  B7R0.5  C=C(C)C(=O)NCO BB57-4784 [0,1,1,0,0,0|2,0,0]=4
43  B7R0.5  CCNC(=O)C(C)Br BB58-4929 [0,1,1,0,0,0|1,0,1]=4
44  B7R0.5  CCOC(=O)C(=O)[O-] BB58-2852 [0,1,1,0,0,0|2,0,0]=4
45  B7R0.5  CCOC(=O)C(N)=S BB01-2471 [0,1,1,0,0,0|2,0,0]=4
46  B7R0.7  CCNC(=O)CCCl BB57-1144 [0,1,1,0,0,0|1,0,1]=4
47  B7R0.4  C=C(C)CCCCC BB58-4377 [0,1,1,0,0,0|1,0,1]=4
48  B7R0.4  CC(=O)CCCCCl BB57-6752 [0,1,1,0,0,0|0,0,2]=4
49  B7R0.4  CC(=O)NCCCBr BB58-5163 [0,1,1,0,0,0|1,0,1]=4
50  B7R0.4  CC(=O)NCCCCl BB58-5165 [0,1,1,0,0,0|1,0,1]=4
51  B7R0.4  CCOCCC(=O)O BB57-3742 [0,1,1,0,0,0|1,0,1]=4
52  B7R0.4  CNCCCC(=O)O BB58-0143 [0,1,1,0,0,0|1,0,1]=4
53  B7R1.1  COC1=NCCC1 BB57-3196 [0,1,0,0,1,0|1,0,1]=4
54  B7R1.1  O=CC1=CSC=C1 BB01-6172 [0,1,0,0,1,0|1,0,1]=4
55  B9R1.5  NC1CCCCNC1=O BB57-3738 [0,1,0,0,0,1|0,0,2]=4
56  B9R1.5  O=C1NCCCCC1Br BB58-3108 [0,1,0,0,0,1|0,0,2]=4
57  B9R1.40  O=C1NCCCC1(Br)Br BB58-2907 [0,2,0,0,0,0|1,0,1]=4
58  B7R1.22  NNC(=O)C1CC1 BB55-1910 [0,0,1,1,0,0|2,0,0]=4
59  B7R1.20  O=C(O)CC1CC1 BB57-3745 [0,0,1,1,0,0|1,0,1]=4