0  B7R0.3  CCN(C)CCCO B039576 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.3  CNCCC(=O)NC B039605 [0,0,0,0,0,0|2,0,0]=2
2  B6R0.1  C#CC(=O)OCC B051748 [1,0,0,0,0,0|1,0,2]=4
3  B6R0.1  COCC(=O)NN B015437 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.3  CCN(C)C(C)CCN B039548 [0,1,0,0,0,0|3,0,0]=4
5  B8R0.6  CCCCCC(=O)NN B014970 [0,1,0,0,0,0|2,0,0]=3
6  B8R0.6  CCNCCC(=O)NN B039571 [0,1,0,0,0,0|2,0,0]=3
7  B8R0.8  CCCCC(N)C(C)=O B050536 [0,1,0,0,0,0|1,0,2]=4
8  B8R0.19  CCN(C)CC(C)CN B039547 [0,1,0,0,0,0|3,0,0]=4
9  B8R1.2  C#CC1=CCCCC1 B050145 [0,0,0,1,0,0|1,0,2]=4
10  B8R1.2  CCC1CCNCC1 B039287 [0,0,0,1,0,0|2,0,1]=4
11  B8R1.3  CN1CCC(N)CC1 B016064 [0,0,0,1,0,0|2,0,1]=4
12  B8R1.3  CN1CCC(N)CC1 B036196 [0,0,0,1,0,0|2,0,1]=4
13  B8R1.5  CC1=NCCCN1C B048583 [0,0,0,1,0,0|3,0,0]=4
14  B8R1.5  CC1CCCNC1C B052585 [0,0,0,1,0,0|2,0,1]=4
15  B8R1.5  NC1CCCNC1=O B039480 [0,0,0,1,0,0|2,0,0]=3
16  B8R1.38  NNC(=O)C1CCC1 B039657 [0,0,0,1,0,0|2,0,0]=3
17  B5R0.2  CCSCCO B049702 [2,0,0,0,0,0|2,0,0]=4
18  B5R0.3  CCC(=O)NN B015434 [2,0,0,0,0,0|2,0,0]=4
19  B7R0.5  CCOC(=O)C(F)F B020251 [1,1,0,0,0,0|2,0,0]=4
20  B7R0.7  CCOC(=O)CNN B020270 [1,1,0,0,0,0|2,0,0]=4
21  B7R0.7  O=S(CCO)CCO B048617 [1,1,0,0,0,0|2,0,0]=4
22  B7R0.1  CCCCSCCO B049703 [1,1,0,0,0,0|1,0,0]=3
23  B9R0.34  CCOC(=O)CC(C)NC B039572 [0,2,0,0,0,0|1,0,0]=3
24  B9R0.1  COC(=O)CCC[N+](=O)[O-] B049390 [0,2,0,0,0,0|2,0,0]=4
25  B9R0.46  CCCCCCC(=O)NN B014971 [0,2,0,0,0,0|2,0,0]=4
26  B9R0.21  CCC(=O)CNC(C)(C)C B050196 [0,2,0,0,0,0|1,0,0]=3
27  B7R1.22  NNC(=O)C1CC1 B014982 [1,0,0,1,0,0|2,0,0]=4
28  B9R1.2  CCN1CCCC(N)C1 B048622 [0,1,0,1,0,0|2,0,0]=4
29  B9R1.69  CC1CN(C)CCC1=O B048625 [0,1,0,1,0,0|1,0,0]=3
30  B9R1.11  COC(=O)C1CCCN1 B022514 [0,1,0,1,0,0|1,0,0]=3
31  B9R1.1  CCC1CCC(C)NC1 B052525 [0,1,0,1,0,0|1,0,1]=4
32  B9R1.1  CCN1CCC(N)CC1 B016062 [0,1,0,1,0,0|1,0,1]=4
33  B9R1.1  CN1CCC(=NO)CC1 B015961 [0,1,0,1,0,0|1,0,1]=4
34  B9R1.1  CN1CCC(CN)CC1 B025002 [0,1,0,1,0,0|2,0,0]=4
35  B9R1.1  CN1CCC(CO)CC1 B037955 [0,1,0,1,0,0|2,0,0]=4
36  B9R1.1  CNC1CCN(C)CC1 B029864 [0,1,0,1,0,0|2,0,0]=4
37  B9R1.21  CCC1=NOC(CN)C1 B039171 [0,1,0,1,0,0|1,0,1]=4
38  B9R1.21  CCN1CCC(CN)C1 B038178 [0,1,0,1,0,0|2,0,0]=4