0  B6R0.1  C=CC(C)CCO 102710 [1,0,0,0,0,0|0,0,3]=4
1  B6R0.4  CCCN[N+](=O)[O-] 22283 [1,0,0,0,0,0|2,0,1]=4
2  B8R0.2  CCC(=O)C(C)C(C)=O 16753 [0,1,0,0,0,0|2,0,1]=4
3  B8R0.19  CN\C(C)=C/C(=O)OC 13305 [0,1,0,0,0,0|1,0,2]=4
4  B8R0.23  CC(=O)CC(=O)C(C)C 16776 [0,1,0,0,0,0|2,0,1]=4
5  B8R0.23  CC(=O)\C=C(/C)C(C)C 16787 [0,1,0,0,0,0|1,0,2]=4
6  B8R1.1  O=C1CC[C@H](CBr)N1 22002 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.1  O=C1CC[C@H](CBr)O1 21988 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.1  O=S1OCC(CF)O1 9970 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.1  [NH3+]C[C@H]1CCC(=O)O1 21998 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.4  CC1=CC(=O)CCC1 19984 [0,0,0,1,0,0|1,0,2]=4
11  B5R0.1  CC(F)CCO 9969 [2,0,0,0,0,0|1,0,1]=4
12  B5R0.3  OCC(Cl)CF 9968 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.12  CCC(\C=C\Cl)CC 103088 [1,1,0,0,0,0|1,0,1]=4
14  B7R0.12  CCC(\C=C\I)CC 103082 [1,1,0,0,0,0|1,0,1]=4
15  B7R0.9  CC(=O)CC(C)(F)F 9978 [1,1,0,0,0,0|2,0,0]=4
16  B7R0.16  CC(=O)C(Br)C(C)C 20064 [1,1,0,0,0,0|1,0,0]=3
17  B7R0.16  CC(Br)C(Br)C(=O)O 16612 [1,1,0,0,0,0|1,0,0]=3
18  B7R0.4  C=C(F)CCCCO 102348 [1,1,0,0,0,0|2,0,0]=4
19  B7R0.4  C=CCCCC(=O)O 102353 [1,1,0,0,0,0|0,0,1]=3
20  B7R0.4  CCO\C=C\C(=O)O 103160 [1,1,0,0,0,0|0,0,2]=4
21  B7R0.6  CC(C)=CCC(=O)O 16792 [1,1,0,0,0,0|0,0,2]=4
22  B7R0.6  CC(C)\C=C\C(=O)O 16790 [1,1,0,0,0,0|0,0,2]=4
23  B7R0.15  O=C(O)C(CI)CI 845 [0,1,0,0,1,0|1,0,0]=3
24  B9R0.48  CCCC(O)CCC(=O)[O-] 12807 [0,1,0,0,0,1|1,0,1]=4
25  B9R0.48  CCCC(O)CCC(=O)[O-] 12810 [0,1,0,0,0,1|1,0,1]=4
26  B9R0.26  COC(=O)CC(OC)OC 100820 [0,2,0,0,0,0|1,0,0]=3
27  B9R1.1  COC1CCC(=O)CC1 11320 [0,0,0,1,0,1|2,0,0]=4
28  B9R1.35  O=C1CC[C@H](C(=O)O)O1 22012 [0,0,0,1,0,1|1,0,1]=4
29  B9R1.7  [NH2+](C)C[C@H]1CCC(=O)O1 21997 [0,1,0,1,0,0|2,0,0]=4