0  B9R0.2  CC(=O)NCCCCCN T5222 [0,0,0,0,0,0|2,0,2]=4
1  B9R0.2  CCCCCCCC(=O)O T3946 [0,0,0,0,0,0|1,0,1]=2
2  B9R0.2  CCCCC\C=C\C(=O)O T5261 [0,0,0,0,0,0|1,0,3]=4
3  B8R0.4  CCCCCCCCO T10024 [1,0,0,0,0,0|0,0,0]=1
4  B8R0.4  NCCCCCCCN T7998 [1,0,0,0,0,0|2,0,0]=3
5  B8R0.7  NCCCCCC(=O)O T0881 [1,0,0,0,0,0|2,0,1]=4
6  B10R0.4  CCCCCCCCC(=O)O T3947 [0,1,0,0,0,0|1,0,1]=3
7  B10R0.4  NCCCCCCCC(=O)O T8102 [0,1,0,0,0,0|1,0,1]=3
8  B10R0.75  CCCCCCC(O)C(=O)O T7481 [0,1,0,0,0,0|1,0,1]=3
9  B7R0.4  CCCCCC(C)N T0359 [2,0,0,0,0,0|1,0,0]=3
10  B9R0.45  NCCCCNCCCN T4893 [1,1,0,0,0,0|2,0,0]=4
11  B9R0.45  NCCCCNCCCN T5080 [1,1,0,0,0,0|2,0,0]=4
12  B9R0.45  OCCOCCOCCS T20973 [1,1,0,0,0,0|2,0,0]=4
13  B11R0.6  C[C@@H](O)CCOC(=O)C[C@@H](C)O T10492 [0,2,0,0,0,0|1,0,1]=4
14  B11R0.40  CCCCCCCCC(C)C#N T21189 [0,2,0,0,0,0|1,0,0]=3
15  B11R0.148  CCCCCCCCCC(=O)O T3379 [0,2,0,0,0,0|1,0,1]=4
16  B11R0.148  CCCCCCCCCC(C)=O T8017 [0,2,0,0,0,0|0,0,2]=4
17  B11R0.148  CCCCCCCCOC(C)=O T5667 [0,2,0,0,0,0|0,0,2]=4
18  B11R0.148  CCCCCCC\C=C/C(=O)O TQ0251 [0,2,0,0,0,0|1,0,1]=4
19  B11R0.148  CCCCCCC\C=C\C(=O)O T7332 [0,2,0,0,0,0|1,0,1]=4
20  B11R0.176  O=C(O)CCCCC(S)CCS T21233 [0,2,0,0,0,0|1,0,1]=4
21  B11R0.164  CCCCC(CC)CCC(=O)O T7456 [0,2,0,0,0,0|1,0,1]=4
22  B9R1.6  O=C(O)C1CCCCC1 T5563 [1,0,0,1,0,0|1,0,1]=4
23  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O T8109 [0,1,0,1,0,0|2,0,0]=4
24  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O T1407 [0,1,0,1,0,0|2,0,0]=4
25  B11R1.166  CC(C)[C@H]1CC[C@H](C)C[C@@H]1O TN1544 [0,1,0,1,0,0|2,0,0]=4
26  B11R1.166  CC1CCC(C(C)C)C(O)C1 T2979 [0,1,0,1,0,0|2,0,0]=4
27  B11R1.166  CC1CCC(C(C)C)C(O)C1 T5723 [0,1,0,1,0,0|2,0,0]=4
28  B11R1.166  CC1CCC(C(C)C)C(O)C1 TN1591 [0,1,0,1,0,0|2,0,0]=4
29  B11R2.432  CN1[C@H]2CC[C@@H]1C[C@H](O)C2 T5595 [0,0,0,2,0,0|1,0,0]=3