0  B9R0.45  NCCCCNCCCN AC-33945 [0,0,0,0,0,0|3,0,0]=3
1  B9R0.45  OCCCCCCCCO AC-662 [0,0,0,0,0,0|0,2,0]=2
2  B8R0.4  OCCCNCCCO AC-515 [1,0,0,0,0,0|1,2,0]=4
3  B10R0.4  O=C(O)CCCCCCCBr AC-16341 [0,1,0,0,0,0|1,1,1]=4
4  B10R0.71  CCCCCCCC#CCO AC-1421 [0,1,0,0,0,0|1,1,1]=4
5  B10R0.71  NCCCOCCOCCO AC-30815 [0,1,0,0,0,0|2,1,0]=4
6  B10R0.71  OCCCCCCCCCBr AC-6708 [0,1,0,0,0,0|1,1,0]=3
7  B10R1.4  CN1CCCCC1CCCl AC-15352 [0,0,0,1,0,0|3,0,0]=4
8  B10R1.17  BrCCCN1CCCCC1 AC-29853 [0,0,0,1,0,0|3,0,0]=4
9  B10R1.17  BrCCOC1CCCCO1 AC-25469 [0,0,0,1,0,0|2,1,0]=4
10  B10R1.17  C1CCCCN1CCCC AC-2098 [0,0,0,1,0,0|3,0,0]=4
11  B10R1.17  OCCCN1CCCCC1 AC-17215 [0,0,0,1,0,0|2,1,0]=4
12  B10R1.20  OC[C@@H]1CCCC[C@H]1CO AC-22678 [0,0,0,1,0,0|0,2,0]=3
13  B10R1.20  OC[C@H]1CCCC[C@@H]1CO AC-25527 [0,0,0,1,0,0|0,2,0]=3
14  B7R0.1  CNCCCCNC AC-7475 [2,0,0,0,0,0|2,0,0]=4
15  B9R0.2  CCCCCCCC(=O)[O-] AC-1296 [1,1,0,0,0,0|0,1,1]=4
16  B9R1.8  ClCCN1CCCCC1 AC-2403 [1,0,0,1,0,0|2,0,0]=4
17  B9R1.12  BrCCCN1CCCC1 AC-17195 [1,0,0,1,0,0|2,0,0]=4
18  B9R1.12  BrCCCN1CCCC1 AC-946 [1,0,0,1,0,0|2,0,0]=4
19  B9R1.12  CCCCN1CCCC1 AC-18281 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.12  ClCCCN1CCCC1 AC-1384 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.12  ClCCCN1CCCC1 AC-17193 [1,0,0,1,0,0|2,0,0]=4
22  B9R1.12  OCCCN1CCCC1 AC-17216 [1,0,0,1,0,0|1,1,0]=4
23  B9R1.14  CCN1CCCC1CN AC-6117 [1,0,0,1,0,0|2,0,0]=4
24  B9R1.15  CN1CCCCC1CO AC-7239 [1,0,0,1,0,0|1,1,0]=4
25  B9R1.33  CN1CCCC1CCN AC-6690 [1,0,0,1,0,0|2,0,0]=4
26  B9R1.33  CN1CCCC1CCO AC-15702 [1,0,0,1,0,0|1,1,0]=4
27  B9R1.89  N#CC1CCCCCC1 AC-26546 [1,0,0,1,0,0|1,0,1]=4
28  B9R1.89  NCC1CCCCNC1 AC-6420 [1,0,0,1,0,0|2,0,0]=4
29  B11R2.20  C1CCC2NCCCC2C1 AC-16185 [0,0,0,2,0,0|2,0,0]=4