0  B12R2.2786  CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2 D96054 [0,0,0,0,0,0|0,0,2]=2
1  B12R2.2786  CC1(C)[C@H]2CC[C@]1(C)C(=S)C2 T72581 [0,0,0,0,0,0|0,1,0]=1
2  B13R2.16844  CC1(C)[C@@H]2CC[C@@]1(CS)[C@H](O)C2 T72864 [0,1,0,0,0,0|0,0,2]=3
3  B11R1.491  CC1(C)C(=O)NC(=O)C1(C)C W16795 [0,0,1,0,0,0|2,0,1]=4
4  B10R1.13  CC(C)[C@H]1CC[C@@H](O)CC1 D78896 [1,0,1,0,0,0|1,0,1]=4
5  B10R1.13  CC(C)[C@H]1CC[C@H](O)CC1 T71864 [1,0,1,0,0,0|1,0,1]=4
6  B10R1.176  CN1CC[C@H](CN)CC1=O P14228 [1,0,1,0,0,0|2,0,0]=4
7  B10R1.176  CN1CC[C@H](CO)CC1=O 37254 [1,0,1,0,0,0|2,0,0]=4
8  B10R1.61  CC(C)C1CCCCC1O C77548 [1,0,1,0,0,0|0,0,2]=4
9  B10R1.61  CC(C)N1CCNCC1=O 29960 [1,0,1,0,0,0|2,0,0]=4
10  B10R1.61  CC(C)[C@@H]1CNCCC1=O 20254 [1,0,1,0,0,0|1,0,0]=3
11  B10R1.363  CC(C)C1(O)CCCCC1 D93300 [1,0,1,0,0,0|1,0,1]=4
12  B10R1.128  CC1(C)CCN[C@@H]1C(=O)O 52532 [1,0,1,0,0,0|2,0,0]=4
13  B10R1.128  CC1(C)CNC[C@@H]1C(=O)O F12448 [1,0,1,0,0,0|2,0,0]=4
14  B10R1.128  C[N+]1(C)CCC[C@H]1C(=O)[O-] 42785 [1,0,1,0,0,0|2,0,0]=4
15  B10R1.291  CN1CCC[C@@]1(C)C(=O)O AT11330 [1,0,1,0,0,0|2,0,0]=4
16  B14R2.27846  CC1(C)C2CCC1(C(=O)O)C(=O)C2 74097 [0,2,0,0,0,0|0,0,1]=3
17  B14R2.27846  CC1(C)[C@H]2CC[C@]1(C(=O)O)C(=O)C2 86167 [0,2,0,0,0,0|0,0,1]=3
18  B12R2.2863  B[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C T72825 [0,0,1,1,0,0|1,0,1]=4
19  B12R2.2863  C[C@@H]1[C@@H](O)C[C@H]2C[C@@H]1C2(C)C AC3157 [0,0,1,1,0,0|0,0,2]=4