0  B7R0.6  CC(=O)CCN(C)C BB55-6125 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.6  CC(=O)NCC(=O)O BB01-2573 [0,0,0,0,0,0|1,0,0]=1
2  B7R0.6  CC(C)OCC(=O)O BB55-5141 [0,0,0,0,0,0|2,0,1]=3
3  B6R0.4  CC(=O)NCCN BB20-2208 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.4  CC(C)CCC=O BB58-4980 [1,0,0,0,0,0|1,0,1]=3
5  B6R0.4  CCNCC(=O)O BB20-0183 [1,0,0,0,0,0|1,0,1]=3
6  B6R0.4  O=CNCC(=O)O BB01-7318 [1,0,0,0,0,0|1,0,0]=2
7  B8R0.9  CC(=O)NNC(=O)CCl BB57-2252 [0,1,0,0,0,0|3,0,0]=4
8  B8R0.9  CCC(=O)COC(C)=O BB58-4502 [0,1,0,0,0,0|2,0,0]=3
9  B8R0.9  COC(=O)CCC(=O)Cl BB57-0253 [0,1,0,0,0,0|1,0,0]=2
10  B8R0.23  CC(C)C(N)CC(=O)O BB01-4066 [0,1,0,0,0,0|1,0,1]=3
11  B8R0.29  O=C(O)CCC(F)(F)F BB55-6264 [0,1,0,0,0,0|2,0,1]=4
12  B8R1.3  CC1=NNC(=O)CC1 BB55-6123 [0,0,0,1,0,0|2,0,0]=3
13  B6R0.2  CC(C)=CC(=O)Cl BB20-1413 [0,0,0,0,1,0|2,0,1]=4
14  B8R0.28  NC(=O)N\N=C\C(=O)O BB01-6284 [0,0,0,0,0,1|2,0,1]=4
15  B8R0.28  O=C(O)CSCC(=O)O BB01-8012 [0,0,0,0,0,1|1,0,0]=2
16  B5R0.1  CCCC(=N)N BB01-7895 [2,0,0,0,0,0|2,0,0]=4
17  B7R0.2  NCC(O)CC(=O)O BB57-4937 [1,1,0,0,0,0|1,0,1]=4
18  B7R0.3  CNC(=O)CCCCl BB58-5055 [1,1,0,0,0,0|1,0,1]=4
19  B7R0.3  CNC(=O)CCCN BB32-0805 [1,1,0,0,0,0|1,0,1]=4
20  B7R0.3  COC(=O)CCCN BB55-8835 [1,1,0,0,0,0|1,0,1]=4
21  B7R0.3  COC(=O)CCSC BB01-5905 [1,1,0,0,0,0|1,0,0]=3
22  B7R0.4  CC(=O)CCCCCl BB57-6752 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.4  CC(=O)NCCCBr BB58-5163 [1,1,0,0,0,0|1,0,1]=4
24  B7R0.4  CC(=O)NCCCCl BB58-5165 [1,1,0,0,0,0|1,0,1]=4
25  B7R0.4  CCOCCC(=O)O BB57-3742 [1,1,0,0,0,0|0,0,1]=3
26  B7R0.4  CNCCCC(=O)O BB58-0143 [1,1,0,0,0,0|0,0,1]=3
27  B7R0.5  NCCC(N)C(=O)O BB57-6108 [1,1,0,0,0,0|1,0,1]=4
28  B9R0.1  COC(=O)CCCC(C)=O BB58-1963 [0,1,0,0,0,1|0,0,0]=2
29  B9R0.7  CC(=O)N(C)CCC(=O)O BB32-3040 [0,1,0,0,0,1|0,0,0]=2
30  B9R0.7  C[S+](C)CC[C@H](N)C(=O)O BB55-8164 [0,1,0,0,0,1|2,0,0]=4
31  B9R0.7  NC(=O)SC[C@H](N)C(=O)O BB58-4371 [0,1,0,0,0,1|1,0,0]=3
32  B9R0.53  CC(C)CC(N)CC(=O)O BB57-0289 [0,1,0,0,0,1|1,0,1]=4
33  B9R0.23  COC(=O)C(=O)CC(C)=O BB17-2983 [0,2,0,0,0,0|0,0,1]=3
34  B9R0.23  COC(=O)C(N)CC(C)C BB58-4604 [0,2,0,0,0,0|1,0,1]=4
35  B9R0.42  CC(NC(=O)CN)C(=O)O BB58-4661 [0,2,0,0,0,0|1,0,0]=3
36  B9R0.43  CCN(CC)CCC(=O)O BB58-0846 [0,2,0,0,0,0|2,0,0]=4
37  B9R0.39  CCC(NC(C)=O)C(=O)O BB57-4742 [0,2,0,0,0,0|1,0,0]=3
38  B9R0.57  CC(NS(C)(=O)=O)C(=O)O BB55-6919 [0,2,0,0,0,0|2,0,0]=4
39  B7R1.3  O=C1CCOCC1 BB53-1277 [1,0,0,1,0,0|2,0,0]=4
40  B7R1.3  O=C1CCSCC1 BB53-1260 [1,0,0,1,0,0|2,0,0]=4
41  B7R1.20  O=C(O)CC1CC1 BB57-3745 [1,0,0,1,0,0|0,0,1]=3
42  B9R1.35  O=C(O)C1CC(O)CN1 BB57-0232 [0,0,0,1,0,1|0,0,2]=4
43  B9R1.35  O=C1CCC(C(=O)O)C1 BB01-6440 [0,0,0,1,0,1|0,0,0]=2