0  B6R0.4  CC(C)CCCO CS-W007511 [1,0,0,0,0,0|0,0,2]=3
1  B6R0.4  CNCCC(C)C CS-W018343 [1,0,0,0,0,0|1,0,1]=3
2  B6R0.4  CNCCN(C)C CS-W022914 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.6  C=CCCCCO CS-W013711 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.7  CC(C)NCCCCO CS-M3069 [0,1,0,0,0,0|1,0,2]=4
5  B8R0.28  CN(C)C\C=C\C(=O)O CS-M0298 [0,1,0,0,0,0|2,0,1]=4
6  B8R1.72  CC1(C)CCNCC1 CS-W005691 [0,0,0,1,0,0|2,0,1]=4
7  B5R0.1  CN(C)NC=O CS-M2144 [2,0,0,0,0,0|2,0,0]=4
8  B5R0.1  COC[C@H](C)O CS-0031378 [2,0,0,0,0,0|1,0,1]=4
9  B5R0.1  C[C@@H](N)CCO CS-W013746 [2,0,0,0,0,0|1,0,0]=3
10  B5R0.2  C=CCCCBr CS-W018483 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.2  COCCCBr CS-W010945 [2,0,0,0,0,0|1,0,1]=4
12  B5R0.2  COCCCO CS-W020636 [2,0,0,0,0,0|1,0,1]=4
13  B7R0.2  [C@@H](N)(CO)CC(C)C CS-W016592 [1,1,0,0,0,0|0,0,2]=4
14  B7R0.6  CC(=O)NNC(C)C CS-M2559 [1,1,0,0,0,0|2,0,0]=4
15  B7R0.1  C=CCCCCCBr CS-W009270 [1,1,0,0,0,0|2,0,0]=4
16  B9R0.53  CC(C)CC(N)CC(=O)O CS-W021839 [0,2,0,0,0,0|1,0,0]=3
17  B7R1.2  C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|1,0,0]=3
18  B7R1.2  N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|1,0,0]=3
19  B7R1.2  O=C1CC(O)CN1 CS-W018808 [1,0,0,1,0,0|2,0,0]=4
20  B7R1.2  O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|1,0,1]=4
21  B7R1.2  O=C1C[C@@H](O)CN1 CS-W013709 [1,0,0,1,0,0|2,0,0]=4
22  B7R1.3  ClC1CCOCC1 CS-W016579 [1,0,0,1,0,0|1,0,1]=4
23  B7R1.3  NC1CCOCC1 CS-B0654 [1,0,0,1,0,0|1,0,1]=4
24  B7R1.3  NC1CCOCC1 CS-W002372 [1,0,0,1,0,0|1,0,1]=4
25  B7R1.3  [C@H]1(C)CCCNC1 CS-W006435 [1,0,0,1,0,0|1,0,1]=4
26  B7R1.4  N[C@H]1CCOC1=O CS-0022019 [1,0,0,1,0,0|1,0,0]=3
27  B7R1.4  O=C1NCCC1O CS-W005201 [1,0,0,1,0,0|2,0,0]=4
28  B7R1.4  O=C1OCCC1O CS-W013699 [1,0,0,1,0,0|1,0,0]=3
29  B9R1.38  CC1(C)CC(=O)OC1=O CS-W007998 [0,1,0,1,0,0|0,0,1]=3
30  B9R1.40  CC1(C)CCCOC1=O CS-0097007 [0,1,0,1,0,0|0,0,0]=2
31  B9R1.40  CC1(C)NCCNC1=O CS-W021790 [0,1,0,1,0,0|1,0,0]=3