0  B8R0.8  CC(=O)C(C)CCC#N BB01-5869 [0,0,0,0,0,0|4,0,0]=4
1  B8R0.8  CCCCC(C)C(=O)O BB58-4619 [0,0,0,0,0,0|2,0,0]=2
2  B8R0.8  CCCNC(=O)C(=O)O BB55-4706 [0,0,0,0,0,0|3,0,1]=4
3  B8R0.8  NCCCC(N)C(=O)O BB57-0193 [0,0,0,0,0,0|2,0,0]=2
4  B7R0.3  CSCCC(N)CO BB01-7854 [1,0,0,0,0,0|0,0,1]=2
5  B7R0.4  C=C(C)CCCCC BB58-4377 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.4  CC(=O)CCCCCl BB57-6752 [1,0,0,0,0,0|3,0,0]=4
7  B7R0.4  CCOCCC(=O)O BB57-3742 [1,0,0,0,0,0|2,0,0]=3
8  B7R0.4  CNCCCC(=O)O BB58-0143 [1,0,0,0,0,0|1,0,0]=2
9  B7R0.5  CCNC(C)C(N)=O BB58-3590 [1,0,0,0,0,0|3,0,0]=4
10  B7R0.5  NCCC(N)C(=O)O BB57-6108 [1,0,0,0,0,0|1,0,0]=2
11  B7R0.5  O=C(Cl)C(Br)CCBr BB58-1369 [1,0,0,0,0,0|3,0,0]=4
12  B9R0.7  C[S+](C)CC[C@H](N)C(=O)O BB55-8164 [0,1,0,0,0,0|0,0,1]=2
13  B9R0.7  NC(=O)SC[C@H](N)C(=O)O BB58-4371 [0,1,0,0,0,0|3,0,0]=4
14  B9R1.5  NC1CCCCNC1=O BB57-3738 [0,0,0,1,0,0|2,0,0]=3
15  B9R1.5  O=C1NCCCCC1Br BB58-3108 [0,0,0,1,0,0|3,0,0]=4
16  B9R1.6  NC(=O)C1CCNCC1 BB57-6677 [0,0,0,1,0,0|3,0,0]=4
17  B9R1.6  O=C(O)C1CCCCC1 BB01-5902 [0,0,0,1,0,0|2,0,0]=3
18  B9R1.6  O=C(O)C1CCOCC1 BB01-8327 [0,0,0,1,0,0|1,1,0]=3
19  B9R1.6  O=C(O)C1CNCCN1 BB01-8283 [0,0,0,1,0,0|2,0,0]=3
20  B9R1.6  O=C(O)C1SCCCS1 BB58-0269 [0,0,0,1,0,0|3,0,0]=4
21  B9R1.35  O=C1CCC(C(=O)O)C1 BB01-6440 [0,0,0,1,0,0|3,0,0]=4
22  B9R0.4  CCCCC(N)CC(=O)O BB57-0288 [0,0,0,0,0,1|1,0,0]=2
23  B6R0.4  CCNCC(=O)O BB20-0183 [2,0,0,0,0,0|1,0,0]=3
24  B6R0.3  CC(CN)C(=O)O BB58-0275 [2,0,0,0,0,0|2,0,0]=4
25  B6R0.3  CCC(N)C(=O)O BB55-8838 [2,0,0,0,0,0|0,0,0]=2
26  B6R0.3  NCC(O)C(=O)O BB58-4543 [2,0,0,0,0,0|2,0,0]=4
27  B8R0.7  COCCOCC(=O)O BB57-6814 [1,1,0,0,0,0|0,1,0]=3
28  B8R0.7  NCCCCCC(=O)O BB57-3834 [1,1,0,0,0,0|1,0,0]=3
29  B8R0.2  CCN(C)C(C)C(=O)O BB58-2807 [1,1,0,0,0,0|2,0,0]=4
30  B8R0.12  CCCC(C)(C)C(=O)O BB57-6787 [1,1,0,0,0,0|1,0,0]=3
31  B10R0.82  CNC(=O)CCC(N)C(=O)O BB58-4683 [0,2,0,0,0,0|1,0,0]=3
32  B10R0.82  COC(=O)CCC(N)C(=O)O BB17-2988 [0,2,0,0,0,0|0,1,0]=3
33  B10R0.98  NC(CCCC(=O)O)C(=O)O BB57-6646 [0,2,0,0,0,0|1,0,1]=4
34  B8R1.2  O=CC1CCCCC1 BB01-6149 [1,0,0,1,0,0|2,0,0]=4
35  B8R1.5  NC1CCCNC1=O BB01-4609 [1,0,0,1,0,0|2,0,0]=4
36  B8R1.7  O=C(O)C1CC=CC1 BB01-7889 [1,0,0,1,0,0|1,0,1]=4
37  B8R1.7  O=C(O)C1CCOC1 BB58-1384 [1,0,0,1,0,0|0,1,0]=3
38  B8R1.7  O=C(O)C1CSCN1 BB57-0213 [1,0,0,1,0,0|1,0,0]=3
39  B10R1.61  CC1CCCCC1C(=O)O BB58-4370 [0,0,0,1,0,1|2,0,0]=4
40  B10R1.13  CC1CCC(C(=O)O)CC1 BB58-4355 [0,1,0,1,0,0|2,0,0]=4
41  B10R1.15  COC(=O)C1CCOCC1 BB58-1132 [0,1,0,1,0,0|1,1,0]=4
42  B10R1.31  CCC1NC(C(=O)O)CS1 BB57-4293 [0,1,0,1,0,0|1,0,0]=3
43  B10R1.348  O=C(O)C1CCCCCC1 BB58-4365 [0,1,0,1,0,0|2,0,0]=4
44  B10R1.477  NCC1(C(=O)O)CCCC1 BB57-0992 [0,1,0,1,0,0|1,0,0]=3
45  B10R1.113  CC1CCCC(C(=O)O)C1 BB58-4369 [0,1,0,1,0,0|2,0,0]=4