0  B7R1.3  NC1CCCOC1 B049073 [0,0,0,0,0,0|3,0,0]=3
1  B7R1.3  NC1CCOCC1 B050801 [0,0,0,0,0,0|3,0,0]=3
2  B8R1.2  C#CC1=CCCCC1 B050145 [0,1,0,0,0,0|1,0,2]=4
3  B8R1.2  CCC1CCNCC1 B039287 [0,1,0,0,0,0|2,0,0]=3
4  B8R1.2  ClCC1COCCO1 B039648 [0,1,0,0,0,0|2,0,0]=3
5  B8R1.2  NCC1CCCOC1 B049869 [0,1,0,0,0,0|2,0,0]=3
6  B8R1.3  CN1CCC(N)CC1 B016064 [0,1,0,0,0,0|2,0,0]=3
7  B8R1.3  CN1CCC(N)CC1 B036196 [0,1,0,0,0,0|2,0,0]=3
8  B8R1.4  CC1CCNC(C)C1 B016012 [0,1,0,0,0,0|0,0,0]=1
9  B8R1.5  CC1=NCCCN1C B048583 [0,1,0,0,0,0|1,0,1]=3
10  B8R1.5  CC1CCCNC1C B052585 [0,1,0,0,0,0|0,0,0]=1
11  B8R1.5  NC1CCCNC1=O B039480 [0,1,0,0,0,0|1,0,1]=3
12  B6R0.1  CCC(C)N=C=S B016332 [0,0,1,0,0,0|1,0,2]=4
13  B6R0.1  CCNC(C)CO B039551 [0,0,1,0,0,0|1,0,0]=2
14  B6R0.1  CNC(C)CCO B039563 [0,0,1,0,0,0|1,0,0]=2
15  B5R0.1  CC(N)CCO B039558 [1,0,1,0,0,0|1,0,0]=3
16  B5R0.2  CCSCCO B049702 [1,0,1,0,0,0|2,0,0]=4
17  B7R0.3  CCN(C)CCCO B039576 [0,1,1,0,0,0|2,0,0]=4
18  B7R0.3  CNCCC(=O)NC B039605 [0,1,1,0,0,0|1,0,1]=4
19  B7R0.5  CC(CCN)N(C)C B039557 [0,1,1,0,0,0|1,0,0]=3
20  B7R0.5  CC(CCO)N(C)C B039575 [0,1,1,0,0,0|1,0,0]=3
21  B7R0.7  CCNC(C)CCO B039584 [0,1,1,0,0,0|0,0,0]=2
22  B7R0.11  C#CC(C)(O)CCC B049584 [0,1,1,0,0,0|1,0,1]=4
23  B7R0.6  CC(C)CNC(C)C B039560 [0,1,1,0,0,0|0,0,0]=2
24  B7R0.1  CCCCSCCO B049703 [0,1,1,0,0,0|1,0,0]=3
25  B7R1.4  N[C@@H]1CSC[C@H]1O B050646 [0,1,0,0,1,0|2,0,0]=4
26  B7R1.14  CC1(C)CCCN1 B039503 [0,1,0,0,1,0|0,0,0]=2
27  B9R1.1  CCC1CCC(C)NC1 B052525 [0,2,0,0,0,0|0,0,0]=2
28  B9R1.1  CCN1CCC(N)CC1 B016062 [0,2,0,0,0,0|2,0,0]=4
29  B9R1.1  CN1CCC(CN)CC1 B025002 [0,2,0,0,0,0|2,0,0]=4
30  B9R1.1  CN1CCC(CO)CC1 B037955 [0,2,0,0,0,0|2,0,0]=4
31  B9R1.1  CNC1CCN(C)CC1 B029864 [0,2,0,0,0,0|2,0,0]=4
32  B9R1.2  CCN1CCCC(N)C1 B048622 [0,2,0,0,0,0|2,0,0]=4
33  B9R1.2  CN1CCOC(CN)C1 B050181 [0,2,0,0,0,0|2,0,0]=4
34  B9R1.6  O=C(O)C1CCSCN1 B050771 [0,2,0,0,0,0|1,0,1]=4
35  B9R1.8  CNCC1COCCO1 B050146 [0,2,0,0,0,0|2,0,0]=4
36  B9R1.118  C#CC1(Cl)CCCCC1 B048743 [0,2,0,0,0,0|1,0,1]=4
37  B9R1.118  C#CC1(N)CCCCC1 B049569 [0,2,0,0,0,0|1,0,1]=4
38  B9R1.69  CC1CN(C)CCC1=O B048625 [0,2,0,0,0,0|2,0,0]=4