0  B7R0.1  COCCOCCN S0639 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.6  C(CCN)CCN S6357 [1,0,0,0,0,0|2,0,0]=3
2  B6R0.6  C(COCCBr)O S1686 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.6  C(COCCN)N S1800 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.6  CCC=CCCO S6059 [1,0,0,0,0,0|0,0,3]=4
5  B6R0.6  CCCC=CC=O S6303 [1,0,0,0,0,0|0,0,2]=3
6  B8R0.7  C(CCC(=O)O)CCN S1671 [0,1,0,0,0,0|1,0,0]=2
7  B8R0.7  C(CCC(=O)O)CCN S1671 [0,1,0,0,0,0|1,0,0]=2
8  B8R0.7  C(CCC(=O)O)CCN S1671 [0,1,0,0,0,0|1,0,0]=2
9  B8R0.7  C(CCN=C(N)N)CN S4962 [0,1,0,0,0,0|3,0,0]=4
10  B8R0.7  C(COCCN)C(=O)O S1872 [0,1,0,0,0,0|2,0,0]=3
11  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,0,0,1,0,0|2,0,1]=4
12  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,0,0,1,0,0|2,0,1]=4
13  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,0,0,1,0,0|2,0,1]=4
14  B8R1.11  C=CN1CCCC1=O S4678 [0,0,0,1,0,0|1,0,2]=4
15  B8R1.11  C=CN1CCCC1=O S4678 [0,0,0,1,0,0|1,0,2]=4
16  B5R0.2  C(CCN)CN S5344 [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  B5R0.2  C(CCN)CN S5825 [2,0,0,0,0,0|2,0,0]=4
19  B7R0.4  CCCCCC(C)N S4520 [1,1,0,0,0,0|0,0,1]=3
20  B7R0.4  CCCCCC(C)N S4520 [1,1,0,0,0,0|0,0,1]=3
21  B9R0.2  CC(=O)NCCCCCN S6187 [0,2,0,0,0,0|1,0,0]=3
22  B9R0.2  CCCCCC=CC(=O)O S6162 [0,2,0,0,0,0|0,0,1]=3
23  B9R0.2  CCCCCCCC(=O)O S6296 [0,2,0,0,0,0|0,0,0]=2
24  B9R0.45  C(CCNCCCN)CN S3653 [0,2,0,0,0,0|1,0,1]=4
25  B9R0.1  COC(=O)CCCC(=O)O S6072 [0,2,0,0,0,0|1,0,1]=4
26  B9R0.47  C(CCN)CC(C(=O)O)N S3953 [0,2,0,0,0,0|1,0,0]=3
27  B9R0.47  C(CCN)CC(C(=O)O)N S5630 [0,2,0,0,0,0|1,0,0]=3
28  B9R0.47  CCCCCC(C)C(=O)O S6099 [0,2,0,0,0,0|0,0,0]=2
29  B7R1.3  C1CCC(=O)CC1 S6236 [1,0,0,1,0,0|0,0,0]=2
30  B7R1.4  CC1C(=O)CCO1 S6274 [1,0,0,1,0,0|1,0,0]=3
31  B7R1.4  CN1CCCC1=O S6282 [1,0,0,1,0,0|1,0,0]=3
32  B9R1.6  C1CCC(CC1)C(=O)O S6279 [0,1,0,1,0,0|0,0,0]=2
33  B9R1.6  C1CCNC(C1)C(=O)O S6302 [0,1,0,1,0,0|1,0,0]=3
34  B9R1.6  C1CCNC(C1)C(=O)O S6322 [0,1,0,1,0,0|1,0,0]=3
35  B9R1.6  C1CNCCC1C(=O)O S5612 [0,1,0,1,0,0|1,0,0]=3