0  B7R0.3  COC(=O)CCCN S6066 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.1  COC(=O)CCN S6219 [1,0,0,0,0,0|1,0,0]=2
2  B6R0.4  C(CC(=O)O)CN S4700 [1,0,0,0,0,0|1,0,0]=2
3  B6R0.4  C(CC(=O)O)CN S4700 [1,0,0,0,0,0|1,0,0]=2
4  B6R0.4  C=CCCC(=O)O S6268 [1,0,0,0,0,0|0,0,2]=3
5  B6R0.4  CSCCC(=O)O S6341 [1,0,0,0,0,0|1,0,0]=2
6  B6R0.6  CCC=CCCO S6059 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.6  CCCC=CC=O S6303 [1,0,0,0,0,0|2,0,1]=4
8  B8R1.1  CCC1CCC(=O)O1 S6265 [0,0,0,1,0,0|2,0,0]=3
9  B5R0.1  C(C(=O)O)ON S4989 [2,0,0,0,0,0|2,0,0]=4
10  B5R0.1  C(CN)C(=O)O S5526 [2,0,0,0,0,0|1,0,0]=3
11  B5R0.1  CCCC(=O)[O-] S1999 [2,0,0,0,0,0|0,0,1]=3
12  B5R0.1  CCCC(=O)[O-] S1999 [2,0,0,0,0,0|0,0,1]=3
13  B5R0.1  CCOC(=O)N S4544 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.1  CCOC(=O)N S4544 [2,0,0,0,0,0|2,0,0]=4
15  B5R0.1  CNCC(=O)O S4702 [2,0,0,0,0,0|1,0,0]=3
16  B5R0.1  CNCC(=O)O S4702 [2,0,0,0,0,0|1,0,0]=3
17  B7R0.5  CCOC(=O)C(=O)C S6243 [1,1,0,0,0,0|2,0,0]=4
18  B7R0.4  CCCCCC(C)N S4520 [1,1,0,0,0,0|1,0,1]=4
19  B7R0.4  CCCCCC(C)N S4520 [1,1,0,0,0,0|1,0,1]=4
20  B7R0.6  C(CC(=O)O)C(=O)O S3791 [1,1,0,0,0,0|1,0,1]=4
21  B7R0.6  C(C[N+](=O)[O-])C(=O)O S3652 [1,1,0,0,0,0|2,0,0]=4
22  B7R0.6  CC(=O)CCC(=O)O S6207 [1,1,0,0,0,0|0,0,1]=3
23  B7R0.6  CC(C)CCC(=O)O S6278 [1,1,0,0,0,0|0,0,0]=2
24  B7R0.8  C(CN)CS(=O)(=O)O S5131 [1,1,0,0,0,0|2,0,0]=4
25  B7R0.1  COCCOCCN S0639 [1,1,0,0,0,0|1,0,1]=4
26  B9R0.1  COC(=O)CCCC(=O)O S6072 [0,2,0,0,0,0|0,0,1]=3
27  B9R0.24  COC(=O)CCC(=O)CN S5372 [0,2,0,0,0,0|0,0,1]=3
28  B7R1.3  C1CCC(=O)CC1 S6236 [1,0,0,1,0,0|1,0,0]=3
29  B7R1.4  CC1C(=O)CCO1 S6274 [1,0,0,1,0,0|2,0,0]=4
30  B7R1.4  CN1CCCC1=O S6282 [1,0,0,1,0,0|1,0,0]=3
31  B7R1.18  C1CNC1C(=O)O S5572 [1,0,0,1,0,0|1,0,0]=3