0  B7R0.4  COCCNC(N)=S B039010 [0,0,0,0,0,0|3,1,0]=4
1  B8R0.6  CCCCCC(=O)NN B014970 [0,1,0,0,0,0|1,0,0]=2
2  B8R0.6  CCNCCC(=O)NN B039571 [0,1,0,0,0,0|2,0,0]=3
3  B8R0.7  CC(=O)CCCOC=O B048519 [0,1,0,0,0,0|1,0,1]=3
4  B8R0.8  CCCCC(N)C(C)=O B050536 [0,1,0,0,0,0|0,0,0]=1
5  B8R0.9  CCN(C)CCC(=O)O B039614 [0,1,0,0,0,0|2,0,0]=3
6  B8R1.4  CC1CCNC(C)C1 B016012 [0,0,0,1,0,0|2,0,1]=4
7  B8R1.7  CC(N)C1CCCO1 B006178 [0,0,0,1,0,0|2,0,1]=4
8  B8R1.72  O=S1(=O)CCNCC1 B050855 [0,0,0,1,0,0|3,0,0]=4
9  B5R0.2  CCSCCO B049702 [2,0,0,0,0,0|1,0,1]=4
10  B7R0.3  CNCCC(=O)NC B039605 [1,1,0,0,0,0|1,0,0]=3
11  B7R0.1  CCCCSCCO B049703 [1,1,0,0,0,0|0,0,2]=4
12  B9R0.4  COCCN(C)CC(=O)O B039628 [0,2,0,0,0,0|2,0,0]=4
13  B9R0.1  COC(=O)CCC[N+](=O)[O-] B049390 [0,2,0,0,0,0|2,0,0]=4
14  B9R0.46  CCCCCCC(=O)NN B014971 [0,2,0,0,0,0|1,0,0]=3
15  B9R0.55  CC(=O)CCCOC(C)=O B048518 [0,2,0,0,0,0|0,0,1]=3
16  B9R0.7  CC(C)N(C)CCC(=O)O B039615 [0,2,0,0,0,0|2,0,0]=4
17  B9R0.42  CCN(C)CC(C)C(=O)O B039610 [0,2,0,0,0,0|2,0,0]=4
18  B9R0.56  O=C(O)CCCC(F)(F)F B051965 [0,2,0,0,0,0|2,0,0]=4
19  B9R1.13  CC(N)CN1CCCC1 B050640 [0,1,0,1,0,0|1,0,1]=4
20  B9R1.13  O=C(O)CC1CCCO1 B050170 [0,1,0,1,0,0|1,0,0]=3
21  B9R1.13  O=C(O)CN1CCCC1 B039449 [0,1,0,1,0,0|1,0,0]=3
22  B9R1.1  CCC1CCC(C)NC1 B052525 [0,1,0,1,0,0|1,0,1]=4
23  B9R1.2  CCN1CCCC(N)C1 B048622 [0,1,0,1,0,0|1,0,1]=4
24  B9R1.11  COC(=O)C1CCCN1 B022514 [0,1,0,1,0,0|1,0,0]=3
25  B9R1.6  O=C(O)C1CCSCN1 B050771 [0,1,0,1,0,0|2,0,0]=4