0  B8R0.8  C=C(C)C(=O)OCCO CS-W013439 [0,0,0,0,0,0|4,0,0]=4
1  B8R0.8  CCCCC(N)C(=O)O CS-W013425 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.4  C(CCC)=CC(=O)O CS-W011247 [1,0,0,0,0,0|1,0,1]=3
3  B7R0.5  CCOC(=O)C(N)=O CS-0008213 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.5  NC(CCO)C(=O)O CS-W013586 [1,0,0,0,0,0|2,0,1]=4
5  B7R0.5  [C@H](C)(O)C(=O)OCC CS-W013602 [1,0,0,0,0,0|2,0,1]=4
6  B9R0.8  CCCCC(Br)C(=O)OC CS-M2020 [0,1,0,0,0,0|2,0,1]=4
7  B9R1.163  C[C@@]1(C(=O)O)CCCN1 CS-M1378 [0,0,0,1,0,0|1,0,1]=3
8  B6R0.4  CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|1,0,1]=4
9  B6R0.4  CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4
10  B6R0.4  COCCC(=O)O CS-W009112 [2,0,0,0,0,0|1,0,1]=4
11  B8R0.7  C#CCCCCC(=O)O CS-0020150 [1,1,0,0,0,0|1,0,1]=4
12  B8R0.7  O=C(O)CCCCCBr CS-W007559 [1,1,0,0,0,0|1,0,1]=4
13  B8R0.23  CC(C)CC(Br)C(=O)O CS-W021616 [1,1,0,0,0,0|1,0,1]=4
14  B8R0.23  CC(C)C[C@@H](O)C(=O)O CS-0000170 [1,1,0,0,0,0|0,0,2]=4
15  B8R1.3  NC1CCC(=O)CC1 CS-W005034 [1,0,0,1,0,0|1,0,1]=4
16  B8R1.5  NC1CCCNC1=O CS-D0182 [1,0,0,1,0,0|1,0,1]=4
17  B8R1.22  O=C1C=CCCCC1 CS-W007594 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.7  NC(=O)C1CCCN1 CS-W005850 [1,0,0,1,0,0|1,0,1]=4
19  B8R1.7  NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,1,0,0|1,0,1]=4
20  B8R1.7  O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|1,0,1]=4
21  B10R1.15  COC(=O)C1=CCCCC1 CS-W009174 [0,1,0,1,0,0|2,0,0]=4
22  B10R1.15  COC(=O)[C@H]1CCCNC1 CS-M2670 [0,1,0,1,0,0|1,0,1]=4