0  B6R0.9  CCN(CC)C=O T20367 [1,0,0,0,0,0|0,0,2]=3
1  B6R0.9  CCN(CC)N=O T35455 [1,0,0,0,0,0|1,0,1]=3
2  B8R0.11  CCN(CC)CCCO T40709 [0,1,0,0,0,0|0,0,0]=1
3  B8R1.1  OC[C@H]1CC[C@H](O)C1 TN2950 [0,0,0,1,0,0|2,0,0]=3
4  B8R1.2  O=NN1CCOCC1 T40684 [0,0,0,1,0,0|2,0,0]=3
5  B5R0.1  CC(C)=CCO T4747 [2,0,0,0,0,0|1,0,1]=4
6  B5R0.1  CN(C)CC=O T19099 [2,0,0,0,0,0|0,0,2]=4
7  B5R0.1  CN(C)CC=O T19100 [2,0,0,0,0,0|0,0,2]=4
8  B5R0.1  C[C@@H](CCO)O T9257 [2,0,0,0,0,0|2,0,0]=4
9  B5R0.1  C[C@@H](O)CCO T19538 [2,0,0,0,0,0|2,0,0]=4
10  B7R0.2  CCC(C)CC(O)=O T19122 [1,1,0,0,0,0|1,0,1]=4
11  B7R0.15  CCC(CC)C(O)=O T8027 [1,1,0,0,0,0|1,0,1]=4
12  B7R0.15  CCN(CC)C([S-])=S T5965 [1,1,0,0,0,0|0,1,1]=4
13  B7R0.15  CCN(CC)C([S-])=S T8422 [1,1,0,0,0,0|0,1,1]=4
14  B9R0.50  CCN(CC)CC#CCO T0555 [0,2,0,0,0,0|0,0,0]=2
15  B9R0.17  ClCCN(CCCl)CCCl T19747 [0,2,0,0,0,0|1,0,0]=3
16  B7R1.3  CC1CCOCO1 T21291 [1,0,0,1,0,0|2,0,0]=4
17  B7R1.3  NN1CCCCC1 T0533 [1,0,0,1,0,0|2,0,0]=4
18  B7R1.4  CC1OCCC1=O T8050 [1,0,0,1,0,0|2,0,0]=4
19  B9R1.33  OCCN1CCNC1=S T0545 [0,1,0,1,0,0|1,0,1]=4
20  B9R1.8  CCCC1NCCCC1 TN3695 [0,1,0,1,0,0|2,0,0]=4
21  B9R1.8  OCCN1CCCCC1 T33732 [0,1,0,1,0,0|0,0,0]=2