0  B7R0.7  CCOC(=O)\C=C\I BB32-1414 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.1  C#CCC(=O)OC BB32-1580 [1,0,0,0,0,0|0,0,3]=4
2  B6R0.1  CCCC(=O)CCl BB31-4027 [1,0,0,0,0,0|1,0,2]=4
3  B8R0.3  CCOC(=O)[C@@H](C)OC BB31-7778 [0,1,0,0,0,0|1,0,1]=3
4  B8R0.5  CCC\C(C)=C\C(=O)O BB31-5804 [0,1,0,0,0,0|3,0,0]=4
5  B8R1.4  CC1CCNC(=O)C1 BB31-5195 [0,0,0,1,0,0|1,0,2]=4
6  B8R1.4  CC1CCOC(=O)O1 BB31-3403 [0,0,0,1,0,0|1,0,1]=3
7  B8R1.4  CN1CCCC(=O)C1 BB31-5533 [0,0,0,1,0,0|2,0,1]=4
8  B8R1.4  C[C@@H]1COCC(=O)N1 BB31-1397 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.8  CCCC1=NNC=C1 BB31-7142 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.11  CCN1N=CC=C1O BB31-7938 [0,0,0,1,0,0|2,0,1]=4
11  B8R1.18  CC1=CC(=O)NN1C BB32-2100 [0,0,0,1,0,0|2,0,0]=3
12  B8R1.18  CC1=CC(Cl)=NN1C BB32-2909 [0,0,0,1,0,0|3,0,0]=4
13  B8R1.18  CN1NC(=O)C=C1N BB32-2826 [0,0,0,1,0,0|3,0,0]=4
14  B8R1.22  O=C1CCCCNC1 BB32-3316 [0,0,0,1,0,0|2,0,1]=4
15  B8R1.22  O=C1CNCCCN1 BB31-5486 [0,0,0,1,0,0|2,0,1]=4
16  B8R1.22  O=C1CNCCCN1 BB31-6324 [0,0,0,1,0,0|2,0,1]=4
17  B5R0.1  CC(=O)CCBr BB31-4479 [2,0,0,0,0,0|2,0,0]=4
18  B5R0.1  O=C(O)\C=C\Br BB31-5400 [2,0,0,0,0,0|1,0,0]=3
19  B5R0.3  CCC(=O)CN BB31-8248 [2,0,0,0,0,0|1,0,1]=4
20  B7R0.10  C\C=C(/Br)C(=O)OC BB31-3618 [1,1,0,0,0,0|0,0,0]=2
21  B9R0.34  CCOC(=O)CC(=N)NO BB31-6339 [0,2,0,0,0,0|1,0,1]=4
22  B9R0.48  CCOC(=O)OCC(C)C BB31-5205 [0,2,0,0,0,0|0,0,2]=4
23  B9R0.48  CCOC(=O)\C=C\C(C)=O BB31-0204 [0,2,0,0,0,0|0,0,0]=2
24  B9R0.23  COC(=O)C(=O)CC(C)C BB31-6224 [0,2,0,0,0,0|2,0,0]=4
25  B9R0.53  CC(Cl)OC(=O)OC(C)Cl BB31-6097 [0,2,0,0,0,0|1,0,1]=4
26  B7R1.2  C[C@@H]1CCC(=O)N1 BB31-7724 [1,0,0,1,0,0|1,0,1]=4
27  B7R1.2  C[C@H]1CCC(=O)N1 BB31-2966 [1,0,0,1,0,0|1,0,1]=4
28  B7R1.2  NC1=CC(=O)CC1 BB31-4485 [1,0,0,1,0,0|1,0,0]=3
29  B7R1.2  O=C1C=CC(O)O1 BB31-2490 [1,0,0,1,0,0|1,0,0]=3
30  B7R1.3  O=C1C=CCCN1 BB32-3139 [1,0,0,1,0,0|1,0,0]=3
31  B7R1.3  O=C1CNCCO1 BB32-2655 [1,0,0,1,0,0|1,0,1]=4
32  B7R1.4  NC1CCOC1=O BB52-6516 [1,0,0,1,0,0|1,0,1]=4
33  B9R1.2  COC1=CC(=O)CCC1 BB31-3355 [0,1,0,1,0,0|1,0,0]=3
34  B9R1.15  COC1=CCCCC1=O BB32-1133 [0,1,0,1,0,0|2,0,0]=4
35  B9R1.27  CCC1C(=O)NN=C1C BB52-6957 [0,1,0,1,0,0|2,0,0]=4
36  B9R1.27  CCN1C(C)=CN=C1Cl BB52-6888 [0,1,0,1,0,0|2,0,0]=4
37  B9R1.48  O=C1CCCNC(=O)C1 BB31-4559 [0,1,0,1,0,0|1,0,1]=4
38  B9R1.75  CCOC(=O)C=C1CC1 BB31-6895 [0,1,0,1,0,0|0,0,0]=2
39  B9R1.3  O=C1CCCC(O)=C1Cl BB31-6366 [0,1,0,1,0,0|2,0,0]=4
40  B9R1.34  CC1=CC(Br)=CC(=O)O1 BB31-1943 [0,1,0,1,0,0|0,0,2]=4
41  B9R1.34  CC1=CC(N)=CC(=O)O1 BB32-0469 [0,1,0,1,0,0|0,0,2]=4