0  B6R0.1  CCC(C)CNC F8889-4114 [1,0,0,0,0,0|2,0,0]=3
1  B6R0.2  CC(=O)CC(C)N F1791-1136 [1,0,0,0,0,0|2,0,0]=3
2  B6R0.2  CC(=O)CC(C)N F1997-0017 [1,0,0,0,0,0|2,0,0]=3
3  B6R0.4  C=C(C)CCCBr F1913-0542 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.4  C=C(C)CCCO F1913-0541 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.5  CCC\C(C)=C\C(=O)O F8880-7277 [0,1,0,0,0,0|0,0,2]=3
6  B8R0.16  CCC(CC)CC(=O)O F8880-1844 [0,1,0,0,0,0|0,0,0]=1
7  B8R0.23  CC(=O)CC(=O)C(C)C F8887-7353 [0,1,0,0,0,0|2,0,1]=4
8  B8R1.1  O=C1NC(CO)CO1 F2147-2878 [0,0,0,1,0,0|2,0,0]=3
9  B8R1.34  CC(=O)OC1CNC1 F2147-1188 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.34  O=C(O)C=C1CNC1 F2167-8173 [0,0,0,1,0,0|1,0,2]=4
11  B8R1.34  O=C(O)CC1CNC1 F8887-4133 [0,0,0,1,0,0|1,0,0]=2
12  B8R0.9  CCC(C)CNC(C)C F1911-1806 [0,0,0,0,0,1|2,0,1]=4
13  B5R0.1  CNCC(N)=O F8880-4275 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.1  COCC(N)=O F1913-0020 [2,0,0,0,0,0|2,0,0]=4
15  B5R0.2  C=CCCNC F1911-1847 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.3  COC(C)CN F3377-0028 [2,0,0,0,0,0|2,0,0]=4
17  B7R0.11  C=CCC(C)(C)CO F2147-6070 [1,1,0,0,0,0|2,0,0]=4
18  B7R0.11  CC(C)(CO)CCO F2147-6492 [1,1,0,0,0,0|1,0,1]=4
19  B7R0.11  CCC(C)(C)CNC F8886-6876 [1,1,0,0,0,0|2,0,0]=4
20  B7R0.12  CCC(CC)CNC F1911-1751 [1,1,0,0,0,0|2,0,0]=4
21  B7R0.12  CCC(CC)N=C=O F2190-0554 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.4  C#CCSCC(=O)O F2147-0623 [1,1,0,0,0,0|0,0,2]=4
23  B7R0.4  CC(=O)NCCCN F8888-5285 [1,1,0,0,0,0|2,0,0]=4
24  B7R0.13  C#CC(C)(C)C(=O)O F1913-5068 [0,1,0,0,1,0|0,0,2]=4
25  B7R0.13  CC(C)(CF)C(=O)O F2147-2729 [0,1,0,0,1,0|1,0,0]=3
26  B7R1.1  CCC1CCNC1 F8881-7172 [1,0,0,1,0,0|1,0,1]=4
27  B7R1.1  CCC1CCNC1 F8887-6136 [1,0,0,1,0,0|1,0,1]=4
28  B7R1.1  CNC1CCOC1 F1906-0103 [1,0,0,1,0,0|1,0,1]=4
29  B7R1.2  NC1CNC(=O)C1 F2158-1004 [1,0,0,1,0,0|2,0,0]=4
30  B7R1.6  NNCC1CCC1 F1904-0041 [1,0,0,1,0,0|2,0,0]=4
31  B7R1.6  OCCN1CCC1 F1904-0065 [1,0,0,1,0,0|1,0,1]=4
32  B7R1.10  C=C1CC(CN)C1 F2147-8211 [1,0,0,1,0,0|2,0,0]=4
33  B7R1.10  NCC1CC(O)C1 F2147-4238 [1,0,0,1,0,0|1,0,1]=4
34  B9R1.110  C[C@@H](C(=O)O)N1CCC1 F2147-2564 [0,1,0,1,0,0|1,0,0]=3
35  B9R1.13  O=C(O)CC1CCCO1 F8881-1071 [0,1,0,1,0,0|0,0,0]=2
36  B9R1.13  O=C(O)\C=C1/CCOC1 F2147-4122 [0,1,0,1,0,0|0,0,2]=4
37  B9R1.38  CC1NC(=O)CC1(C)C F2147-7984 [0,1,0,1,0,0|1,0,0]=3
38  B9R1.53  CC(=O)CN1CC(N)C1 F1907-2880 [0,1,0,1,0,0|2,0,0]=4
39  B9R1.161  O=C(O)C1CC1C(=O)O F0797-0090 [0,1,0,1,0,0|1,0,1]=4
40  B9R1.146  CC1(N)CCS(=O)(=O)C1 F1294-0082 [0,1,0,1,0,0|1,0,1]=4
41  B9R2.138  O=C1CC2(CCC2)C1 F8889-0829 [0,0,0,2,0,0|1,0,0]=3