0  B8R0.28  CC(=O)CCC=C(C)C CS-W011151 [0,0,0,0,0,0|1,0,2]=3
1  B8R0.28  CN(C)CCCC(=O)O CS-W007989 [0,0,0,0,0,0|3,0,0]=3
2  B8R0.28  CN(C)C\C=C\C(=O)O CS-D1794 [0,0,0,0,0,0|3,0,1]=4
3  B7R0.4  C(CCC)=CC(=O)O CS-W011247 [1,0,0,0,0,0|2,0,1]=4
4  B9R1.66  CC1(C)CC(=O)CCO1 CS-D0378 [0,0,0,1,0,0|2,0,0]=3
5  B7R0.6  CC(=O)CCC(C)=O CS-D1203 [0,0,0,0,1,0|1,0,1]=3
6  B7R0.6  CN(C)CCC(=O)O CS-W007826 [0,0,0,0,1,0|2,0,0]=3
7  B6R0.4  CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|1,0,0]=3
8  B6R0.4  CC(=O)OCCBr CS-W007598 [2,0,0,0,0,0|1,0,0]=3
9  B6R0.4  CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|1,0,0]=3
10  B6R0.4  CNCCC(C)C CS-0039334 [2,0,0,0,0,0|1,0,0]=3
11  B6R0.4  COCCC(=O)O CS-W009112 [2,0,0,0,0,0|2,0,0]=4
12  B8R0.7  CN(C)CCOCCO CS-W011078 [1,1,0,0,0,0|1,0,1]=4
13  B8R0.7  O=C(O)CCCCCBr CS-W007559 [1,1,0,0,0,0|2,0,0]=4
14  B8R0.8  CCCCC(N)C(=O)O CS-W013425 [1,1,0,0,0,0|2,0,0]=4
15  B8R0.23  CC(C)CC(Br)C(=O)O CS-W021616 [0,1,0,0,1,0|1,0,0]=3
16  B8R0.23  CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,1,0,0,1,0|1,0,0]=3
17  B8R1.7  CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|1,0,0]=3
18  B8R1.7  O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|2,0,0]=4
19  B8R1.22  O=C1C=CCCCC1 CS-W007594 [1,0,0,1,0,0|1,0,1]=4
20  B8R1.3  NC1CCC(=O)CC1 CS-W005034 [0,0,0,1,1,0|1,0,0]=3
21  B8R1.3  O=C1CCC(O)CN1 CS-D0057 [0,0,0,1,1,0|2,0,0]=4
22  B10R1.13  CC(=O)N1CCC(O)CC1 CS-0044711 [0,1,0,1,0,0|2,0,0]=4
23  B10R1.13  CC(C)N1CCC(=O)CC1 CS-0028222 [0,1,0,1,0,0|2,0,0]=4
24  B10R1.13  C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,1,0,1,0,0|2,0,0]=4
25  B10R1.329  CC1(C)CC(=O)C=C(Cl)C1 CS-0010862 [0,1,0,1,0,0|1,0,1]=4
26  B10R1.329  CC1(C)CC(=O)CC(=O)C1 CS-W016456 [0,1,0,1,0,0|1,0,1]=4
27  B6R0.2  [C@H](C)(N)CC(=O)O CS-0044025 [0,0,0,0,2,0|2,0,0]=4
28  B6R0.2  [C@H](C)(N)CC(=O)O CS-W005235 [0,0,0,0,2,0|2,0,0]=4