0  B6R0.2  CC(C)CC(=N)N 4012906 [1,0,0,0,0,0|3,0,0]=4
1  B6R0.5  CC(C)(C)CNN 4043230 [1,0,0,0,0,0|3,0,0]=4
2  B6R0.5  CNCC(C)(C)C 4017477 [1,0,0,0,0,0|3,0,0]=4
3  B8R0.24  CC(C)(C)NC(=O)CCl 4028666 [0,1,0,0,0,0|3,0,0]=4
4  B8R0.24  CC(C)(C)NC(=O)CN 4028896 [0,1,0,0,0,0|3,0,0]=4
5  B8R0.24  CC(C)(C)NC(=O)CN 4088560 [0,1,0,0,0,0|3,0,0]=4
6  B8R0.34  C=CC(C)(C)CC(=O)O 4032003 [0,1,0,0,0,0|1,0,2]=4
7  B8R0.34  CC(C)(CO)CC(=O)[O-] 4066008 [0,1,0,0,0,0|1,0,0]=2
8  B8R1.42  CC(=O)CC1(C)CC1 4002837 [0,0,0,1,0,0|2,0,0]=3
9  B8R1.51  CC1(C)CCC(=O)C1 4042132 [0,0,0,1,0,0|2,0,0]=3
10  B8R1.51  CC1(C)CNC(=O)C1 4026748 [0,0,0,1,0,0|2,0,0]=3
11  B8R1.51  CC1(C)COC(=O)C1 4108200 [0,0,0,1,0,0|1,0,1]=3
12  B8R1.51  CC1(C)COC(=O)N1 4044911 [0,0,0,1,0,0|2,0,1]=4
13  B8R1.77  CC1(C)CC1C(=O)O 4031328 [0,0,0,1,0,0|1,0,1]=3
14  B6R0.7  CC(C)(C)C(=N)N 4034719 [0,0,0,0,1,0|3,0,0]=4
15  B6R0.7  CC(C)(N)C(N)=O 4029572 [0,0,0,0,1,0|3,0,0]=4
16  B8R0.29  CC(C)(C)CCC(=O)O 4027662 [0,0,0,0,0,1|1,0,1]=3
17  B8R0.29  CC(C)(N)CCC(=O)O 4020441 [0,0,0,0,0,1|2,0,1]=4
18  B7R0.2  CC(C)CC(=O)NN 3014977 [1,1,0,0,0,0|2,0,0]=4
19  B7R0.2  CC(C)CC(=O)NN 4032888 [1,1,0,0,0,0|2,0,0]=4
20  B7R0.2  CCC(C)CC(C)=O 4031282 [1,1,0,0,0,0|2,0,0]=4
21  B7R0.2  CCN(C)CC(=O)O 4026801 [1,1,0,0,0,0|0,0,2]=4
22  B7R0.2  CCN(C)CC(C)=O 4028374 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.2  CCN(C)CC(C)=O 4088950 [1,1,0,0,0,0|1,0,1]=4
24  B7R0.2  CNC(C)CC(=O)O 4035495 [1,1,0,0,0,0|1,0,1]=4
25  B7R0.2  CNC(C)CC(N)=O 4043924 [1,1,0,0,0,0|2,0,0]=4
26  B7R0.16  CC(C(=O)O)N(C)C 4028231 [1,1,0,0,0,0|0,0,2]=4
27  B7R0.13  CC(C)(CN)C(=O)O 4020272 [0,1,0,0,1,0|1,0,1]=4
28  B7R0.13  COC(C)(C)C(=O)O 4021500 [0,1,0,0,1,0|1,0,1]=4
29  B7R1.2  CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|2,0,0]=4
30  B7R1.20  CC(=O)CC1CC1 4002838 [1,0,0,1,0,0|2,0,0]=4
31  B9R1.10  CC1(C)CCC(=O)NC1 4036246 [0,0,0,1,0,1|2,0,0]=4
32  B9R1.185  CC1(C)CC1C(=O)NN 4033496 [0,1,0,1,0,0|2,0,0]=4
33  B9R1.185  CCC(=O)C1CC1(C)C 4032891 [0,1,0,1,0,0|2,0,0]=4
34  B9R1.128  NCC1(CC(=O)O)CC1 4039681 [0,1,0,1,0,0|1,0,1]=4
35  B9R2.143  O=C(O)C1CC12CC2 4012322 [0,0,0,2,0,0|1,0,1]=4
36  B7R0.6  CC(=O)CCN(C)C 4090669 [1,0,0,0,0,1|1,0,1]=4
37  B7R0.6  CC(=O)CCN(C)C 5108147 [1,0,0,0,0,1|1,0,1]=4
38  B7R0.6  CC(C)NCC(=O)O 4028411 [1,0,0,0,0,1|1,0,1]=4
39  B7R0.6  CC(C)OCC(=O)O 4020858 [1,0,0,0,0,1|1,0,1]=4
40  B7R0.6  CC(C)SCC(=O)O 4028613 [1,0,0,0,0,1|1,0,1]=4