0  B8R0.8  C(CC(C(=O)O)N)CN S4653 [0,0,0,0,0,0|3,0,1]=4
1  B8R0.8  C(CC(C(=O)O)N)CN S4653 [0,0,0,0,0,0|3,0,1]=4
2  B8R0.8  CCCCC(C)C(=O)O S6079 [0,0,0,0,0,0|2,0,1]=3
3  B8R0.8  CSCCC(C(=O)O)N S5633 [0,0,0,0,0,0|3,0,1]=4
4  B8R0.8  CSCCC(C(=O)O)N S9344 [0,0,0,0,0,0|3,0,1]=4
5  B8R0.8  C[Se]CCC(C(=O)O)N S3973 [0,0,0,0,0,0|3,0,1]=4
6  B7R0.3  COC(=O)CCCN S6066 [1,0,0,0,0,0|2,0,0]=3
7  B7R0.4  CCCCCC(C)N S4520 [1,0,0,0,0,0|1,0,2]=4
8  B7R0.4  CCCCCC(C)N S4520 [1,0,0,0,0,0|1,0,2]=4
9  B7R0.5  CCC=C(C)C(=O)O S6327 [1,0,0,0,0,0|2,0,1]=4
10  B7R0.5  CCCC(C(=O)O)N S6334 [1,0,0,0,0,0|2,0,1]=4
11  B7R0.5  CCOC(=O)C(=O)C S6243 [1,0,0,0,0,0|1,0,0]=2
12  B9R0.7  C(CC(=O)O)C(=O)C(=O)O S6237 [0,1,0,0,0,0|2,0,1]=4
13  B9R0.7  C(CC(=O)O)C(=O)C(=O)O S6237 [0,1,0,0,0,0|2,0,1]=4
14  B9R0.47  C(CCN)CC(C(=O)O)N S3953 [0,1,0,0,0,0|2,0,1]=4
15  B9R0.47  C(CCN)CC(C(=O)O)N S5630 [0,1,0,0,0,0|2,0,1]=4
16  B9R0.47  CCCCCC(C)C(=O)O S6099 [0,1,0,0,0,0|2,0,1]=4
17  B9R1.6  C1CCC(CC1)C(=O)O S6279 [0,0,0,1,0,0|2,0,1]=4
18  B9R1.6  C1CCNC(C1)C(=O)O S6302 [0,0,0,1,0,0|2,0,1]=4
19  B9R1.6  C1CCNC(C1)C(=O)O S6322 [0,0,0,1,0,0|2,0,1]=4
20  B6R0.1  COC(=O)CCN S6219 [2,0,0,0,0,0|2,0,0]=4
21  B6R0.4  C(CC(=O)O)CN S4700 [2,0,0,0,0,0|1,0,1]=4
22  B6R0.4  C(CC(=O)O)CN S4700 [2,0,0,0,0,0|1,0,1]=4
23  B6R0.4  CSCCC(=O)O S6341 [2,0,0,0,0,0|1,0,1]=4
24  B6R0.6  CCCC=CC=O S6303 [2,0,0,0,0,0|0,0,1]=3
25  B6R0.3  C(C(=O)C(=O)O)Br S5426 [2,0,0,0,0,0|2,0,0]=4
26  B6R0.3  CCC(=O)C(=O)O S6329 [2,0,0,0,0,0|1,0,0]=3
27  B8R0.7  C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|1,0,1]=4
28  B8R0.7  C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|1,0,1]=4
29  B8R0.7  C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|1,0,1]=4
30  B8R1.1  CCC1CCC(=O)O1 S6265 [1,0,0,1,0,0|1,0,1]=4
31  B10R1.15  COC(=O)C1CCCCC1 S6299 [0,1,0,1,0,0|1,0,1]=4