0  B7R0.1  C(CSSCCN)N S3695 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.1  C(CSSCCO)N S0683 [0,0,0,0,0,0|3,0,0]=3
2  B7R0.1  COCCOCCN S0639 [0,0,0,0,0,0|3,0,0]=3
3  B6R0.6  C#CCOCCO S1780 [1,0,0,0,0,0|1,0,2]=4
4  B6R0.6  C(CCN)CCN S6357 [1,0,0,0,0,0|2,0,0]=3
5  B6R0.6  C(COCCBr)O S1686 [1,0,0,0,0,0|2,0,0]=3
6  B6R0.6  C(COCCN)N S1800 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.6  CCC=CCCO S6059 [1,0,0,0,0,0|0,0,2]=3
8  B8R0.7  C(CCC(=O)O)CCN S1671 [0,1,0,0,0,0|1,0,1]=3
9  B8R0.7  C(CCC(=O)O)CCN S1671 [0,1,0,0,0,0|1,0,1]=3
10  B8R0.7  C(CCC(=O)O)CCN S1671 [0,1,0,0,0,0|1,0,1]=3
11  B8R0.7  C(COCCN)C(=O)O S1872 [0,1,0,0,0,0|2,0,1]=4
12  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,0,0,1,0,0|2,0,0]=3
13  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,0,0,1,0,0|2,0,0]=3
14  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,0,0,1,0,0|2,0,0]=3
15  B5R0.2  C(CCN)CN S5344 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.2  C(CCN)CN S5825 [2,0,0,0,0,0|2,0,0]=4
17  B5R0.2  C(CCN)CN S5825 [2,0,0,0,0,0|2,0,0]=4
18  B7R0.4  CCCCCC(C)N S4520 [1,1,0,0,0,0|0,0,0]=2
19  B7R0.4  CCCCCC(C)N S4520 [1,1,0,0,0,0|0,0,0]=2
20  B9R0.2  CC(=O)NCCCCCN S6187 [0,2,0,0,0,0|1,0,1]=4
21  B9R0.2  CCCCCC=CC(=O)O S6162 [0,2,0,0,0,0|0,0,2]=4
22  B9R0.2  CCCCCCCC(=O)O S6296 [0,2,0,0,0,0|0,0,0]=2
23  B9R0.45  C#CCOCCOCCO S1581 [0,2,0,0,0,0|0,0,2]=4
24  B9R0.45  C(CCNCCCN)CN S3653 [0,2,0,0,0,0|1,0,0]=3
25  B9R0.45  C(CNCCNCCN)N S6585 [0,2,0,0,0,0|2,0,0]=4
26  B9R0.45  C(CNCCNCCN)N S6585 [0,2,0,0,0,0|2,0,0]=4
27  B9R0.45  C(COCCI)OCCI S1783 [0,2,0,0,0,0|2,0,0]=4
28  B9R0.45  C(COCCOCCBr)O S1684 [0,2,0,0,0,0|1,0,0]=3
29  B9R0.45  C(COCCOCCN)N S1347 [0,2,0,0,0,0|2,0,0]=4
30  B9R0.45  C(COCCOCCO)N S1650 [0,2,0,0,0,0|1,0,0]=3
31  B9R0.45  C(COCCOCCO)O S1954 [0,2,0,0,0,0|1,0,0]=3
32  B9R0.47  C(CCN)CC(C(=O)O)N S3953 [0,2,0,0,0,0|1,0,1]=4
33  B9R0.47  C(CCN)CC(C(=O)O)N S5630 [0,2,0,0,0,0|1,0,1]=4
34  B9R0.47  CCCCCC(C)C(=O)O S6099 [0,2,0,0,0,0|0,0,1]=3
35  B7R1.3  C1CCC(=O)CC1 S6236 [1,0,0,1,0,0|0,0,2]=4
36  B9R1.6  C1CCC(CC1)C(=O)O S6279 [0,1,0,1,0,0|0,0,1]=3
37  B9R1.6  C1CCNC(C1)C(=O)O S6302 [0,1,0,1,0,0|1,0,1]=4
38  B9R1.6  C1CCNC(C1)C(=O)O S6322 [0,1,0,1,0,0|1,0,1]=4
39  B9R1.6  C1CNCCC1C(=O)O S5612 [0,1,0,1,0,0|1,0,1]=4