0  B7R0.1  C=CCNCCC#N CS-0239842 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.1  C=CCSSCCC CS-W013303 [0,0,0,0,0,0|0,0,2]=2
2  B7R0.1  CCCSSCCC CS-0259501 [0,0,0,0,0,0|0,0,4]=4
3  B7R0.1  NCCSSCCN CS-W012638 [0,0,0,0,0,0|2,0,2]=4
4  B6R0.6  C=CCCCC#N CS-0327133 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.6  C=CCCCCCl CS-0267298 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.6  C=CCCCCN CS-0769784 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.6  C=CCNCC=C CS-W011074 [1,0,0,0,0,0|1,0,0]=2
8  B6R0.6  C=CCSCCN CS-0252157 [1,0,0,0,0,0|1,0,1]=3
9  B8R0.7  C=CCCOCC(=O)O CS-0251653 [0,1,0,0,0,0|2,1,0]=4
10  B8R0.7  C=CCOCCC(=O)O CS-0120005 [0,1,0,0,0,0|2,1,0]=4
11  B8R1.8  C=CCN1C=CC=N1 CS-0308131 [0,0,0,1,0,0|2,0,1]=4
12  B5R0.2  C=CCCCN CS-0072974 [2,0,0,0,0,0|1,0,1]=4
13  B5R0.2  C=CCCON CS-0215003 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.2  C=CCNC=O CS-0239380 [2,0,0,0,0,0|2,0,0]=4
15  B5R0.2  C=CCNCC CS-0251036 [2,0,0,0,0,0|1,0,1]=4
16  B5R0.2  C=CCSSC CS-0204953 [2,0,0,0,0,0|0,0,0]=2
17  B7R0.3  C=CCOC(=O)C=C CS-0167369 [1,1,0,0,0,0|0,1,1]=4
18  B7R0.4  C=CCNCC(=C)Br CS-0232430 [1,1,0,0,0,0|1,0,0]=3
19  B7R0.4  C=CCNCC(=O)O CS-0170873 [1,1,0,0,0,0|2,0,0]=4
20  B7R0.4  C=CCSCC(=O)O CS-0216467 [1,1,0,0,0,0|1,0,0]=3
21  B9R0.18  C=CCCC(=O)CCC=C CS-0541068 [0,2,0,0,0,0|2,0,0]=4
22  B9R0.18  C=CCNC(=O)NCC=C CS-0167985 [0,2,0,0,0,0|2,0,0]=4
23  B9R0.18  C=CCOC(=O)OCC=C CS-0204418 [0,2,0,0,0,0|0,2,0]=4
24  B9R0.45  C=CCC\C=C\CCC=C CS-0503654 [0,2,0,0,0,0|2,0,0]=4
25  B7R1.3  BrC1=CCSCC1 CS-0693505 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.3  O=C1C=CCOC1 CS-0051593 [1,0,0,1,0,0|1,1,0]=4