0  B9R0.7  CC(O)CNC(=O)C(C)=C T12137 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.8  CCCOC(=O)C(C)=C T20387 [1,0,0,0,0,0|0,0,2]=3
2  B8R0.28  CC(C)CCCC(C)N T22389 [1,0,0,0,0,0|2,0,1]=4
3  B10R1.205  CC(=C)C(=O)OCC1CO1 T20009 [0,0,0,1,0,0|1,0,2]=4
4  B8R0.23  CC(C)CC(=O)C(O)=O T5071 [0,0,0,0,1,0|2,0,1]=4
5  B10R0.98  CN(C)CCOC(=O)C(C)=C T31739 [0,0,0,0,0,1|1,0,2]=4
6  B7R0.5  CCOC(=O)C(C)=O T8030 [2,0,0,0,0,0|1,0,1]=4
7  B7R0.6  CC(C)CCC(O)=O T19138 [2,0,0,0,0,0|2,0,0]=4
8  B9R0.47  CCCCOC(=O)C(Cl)Cl T30633 [1,1,0,0,0,0|2,0,0]=4
9  B9R0.23  COC(=O)C(O)CC(C)C T9509 [1,1,0,0,0,0|2,0,0]=4
10  B9R0.1  CN[C@H](C)CCC=C(C)C T27155 [1,1,0,0,0,0|1,0,1]=4
11  B9R0.53  CC(C)CC(O)CC(C)C T20384 [1,1,0,0,0,0|1,0,1]=4
12  B11R0.84  CN(C)CCNC(=O)C(C)(C)N T8753 [0,1,0,0,0,1|2,0,0]=4
13  B9R1.106  C[C@@]1(O)[C@H](O)COC1=O TN2750 [1,0,0,1,0,0|2,0,0]=4
14  B9R1.138  CC1(C)COC(=O)C1=O T20466 [1,0,0,1,0,0|1,0,1]=4
15  B9R1.138  CC1(C)COC(=O)[C@@H]1O T4828 [1,0,0,1,0,0|1,0,0]=3
16  B11R1.166  CC(C)C1CCC(C)CC1=O T5660 [0,1,0,1,0,0|1,0,1]=4
17  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)CC1=O TN1157 [0,1,0,1,0,0|1,0,1]=4
18  B11R1.166  CC(C)[C@H]1CC[C@@H](C)CC1=O T13738 [0,1,0,1,0,0|1,0,1]=4
19  B11R1.166  CC(C)[C@H]1CC[C@H](C)CC1=O TMA0087 [0,1,0,1,0,0|1,0,1]=4
20  B11R1.166  C[C@@H]1CCC(=C(C)C)C(=O)C1 TCS0102 [0,1,0,1,0,0|1,0,1]=4
21  B11R0.6  C[C@@H](O)CCOC(=O)C[C@@H](C)O T10492 [0,0,0,0,0,2|2,0,0]=4