0  B8R0.28  CC(C)COCC(N)=O BB0290237 [0,0,0,0,0,0|2,0,0]=2
1  B7R0.4  CCCCNC(C)C BB0290025 [1,0,0,0,0,0|2,0,1]=4
2  B9R0.1  COC(=O)CCCC(C)C BB0268262 [0,1,0,0,0,0|0,0,0]=1
3  B9R1.35  N[C@@H]1C=C[C@H](C(=O)O)C1 BB0268334 [0,0,0,1,0,0|1,0,2]=4
4  B9R1.35  O=C1C[C@H](C(=O)O)CN1 BB0216427 [0,0,0,1,0,0|2,0,1]=4
5  B7R0.6  CC(=O)CCN(C)C BB0237343 [0,0,0,0,1,0|2,0,0]=3
6  B6R0.4  CC(C)CCCO BB0268266 [2,0,0,0,0,0|0,0,0]=2
7  B6R0.4  CC(C)CN=C=O BB0259372 [2,0,0,0,0,0|1,0,1]=4
8  B6R0.4  CC(C)OCCN BB0253614 [2,0,0,0,0,0|2,0,0]=4
9  B6R0.4  C[C@H](O)CNC=O BB0258832 [2,0,0,0,0,0|2,0,0]=4
10  B8R0.5  CCOC(=O)CC(=O)O BB0265906 [1,1,0,0,0,0|1,0,1]=4
11  B8R0.6  CCCCCC(=O)NN BB0287140 [1,1,0,0,0,0|1,0,0]=3
12  B8R0.6  CCOCCC(=O)NN BB0288029 [1,1,0,0,0,0|2,0,0]=4
13  B8R0.7  O=C(O)CCCCCBr BB0266279 [1,1,0,0,0,0|0,0,0]=2
14  B8R0.9  COC(=O)CCC(=O)O BB0254379 [1,1,0,0,0,0|1,0,1]=4
15  B8R0.23  CC(C)O[C@@H](C)C(=O)[O-] BB0288238 [0,1,0,0,1,0|1,0,1]=4
16  B8R0.29  CC(C)(C)\C=C\C(=O)O BB0260174 [0,1,0,0,1,0|0,0,2]=4
17  B10R0.55  COC(=O)CCCCC(C)C BB0268263 [0,1,0,0,0,1|0,0,0]=2
18  B10R0.96  CC(C)CC(=O)NCC(=O)O BB0259545 [0,1,0,0,0,1|0,0,1]=3
19  B10R0.43  CC(C)CC[C@](C)(N)C(=O)O BB0268517 [0,2,0,0,0,0|0,0,0]=2
20  B8R1.4  CC1CCCC(N)C1 BB0254488 [1,0,0,1,0,0|1,0,1]=4
21  B8R1.4  CN1CCCC(=O)C1 BB0267156 [1,0,0,1,0,0|1,0,0]=3
22  B8R1.4  CN1CCC[C@H](O)C1 BB0267157 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.4  N[C@H]1CCCC(=O)C1 BB0268433 [1,0,0,1,0,0|1,0,0]=3
24  B8R1.7  O=C(O)[C@H]1CCOC1 BB0269525 [1,0,0,1,0,0|1,0,0]=3
25  B8R1.19  CC1(C)CCCC1=O BB0270587 [1,0,0,1,0,0|0,0,0]=2
26  B8R1.19  CC1(C)CCC[C@@H]1O BB0270612 [1,0,0,1,0,0|0,0,1]=3
27  B8R1.27  CNC[C@H]1CC1(C)C BB0263007 [1,0,0,1,0,0|2,0,0]=4
28  B8R1.31  CN1CC[C@H]1C(=O)O BB0262936 [1,0,0,1,0,0|1,0,0]=3
29  B8R1.34  O=C(O)CC1CCC1 BB0257709 [1,0,0,1,0,0|0,0,0]=2
30  B8R1.23  O=C1CC(C(=O)O)C1 BB0270244 [0,0,0,1,1,0|1,0,1]=4
31  B8R1.77  CC(=O)[C@H]1CC1(C)C BB0262909 [0,0,0,1,1,0|1,0,0]=3
32  B8R1.77  CC1(C)C[C@@H]1C(=O)O BB0261196 [0,0,0,1,1,0|0,0,0]=2
33  B10R1.54  CC1=NN(CC(=O)O)CC1 BB0267533 [0,0,0,1,0,1|1,0,1]=4
34  B10R1.113  CC1CCCC(C(=O)O)N1 BB0293368 [0,0,0,1,0,1|1,0,0]=3
35  B10R1.113  CN1CCC[C@H](C(=O)O)C1 BB0220140 [0,0,0,1,0,1|1,0,0]=3
36  B10R1.361  CC(C)N1CC[C@H]1C(=O)O BB0262935 [0,0,0,1,0,1|0,0,0]=2
37  B10R1.13  CN1CCC(C(=O)O)CC1 BB0220131 [0,1,0,1,0,0|1,0,0]=3
38  B10R1.13  CN1CCC(C(N)=O)CC1 BB0259487 [0,1,0,1,0,0|2,0,0]=4
39  B10R1.13  O=C1CC[C@H](C(=O)O)CN1 BB0269604 [0,1,0,1,0,0|1,0,1]=4
40  B10R1.58  CN1C[C@@H](C(=O)O)CC1=O BB0217899 [0,1,0,1,0,0|1,0,1]=4
41  B10R1.329  CC1(C)CC(=O)CC(=O)C1 BB0268604 [0,1,0,1,0,0|1,0,1]=4
42  B10R1.329  CC1(C)OC(=O)CC(=O)O1 BB0262989 [0,1,0,1,0,0|1,0,1]=4
43  B10R2.178  O=C1NCC2CCC1O2 BB0268421 [0,0,0,2,0,0|2,0,0]=4
44  B6R0.2  CC(C)CB(O)O BB0272390 [0,0,0,0,2,0|1,0,1]=4
45  B6R0.2  CC(C)NC(N)=O BB0266031 [0,0,0,0,2,0|2,0,0]=4
46  B6R0.2  CN(C)CC(N)=O BB0258818 [0,0,0,0,2,0|2,0,0]=4