0  B12R1.43  N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,0,0,0,0,0|1,0,1]=2
1  B12R1.43  N[C@H](Cc1ccccc1)C(=O)O T0689 [0,0,0,0,0,0|1,0,1]=2
2  B11R1.91  CC(=O)CCC1=CC=CC=C1 TCS1709 [1,0,0,0,0,0|1,0,1]=3
3  B11R1.91  CC(=O)\C=C\c1ccccc1 TCS1554 [1,0,0,0,0,0|1,0,1]=3
4  B11R1.91  NC(=O)\C=C\C1=CC=CC=C1 BBP01257 [1,0,0,0,0,0|1,0,1]=3
5  B11R1.91  O=C(O)CCC1=CC=CC=C1 BBP02940 [1,0,0,0,0,0|0,0,1]=2
6  B11R1.91  O=C(O)\C=C\C1=CC=CC=C1 BBP00136 [1,0,0,0,0,0|0,0,1]=2
7  B11R1.91  O=C(O)\C=C\c1ccccc1 T2740 [1,0,0,0,0,0|0,0,1]=2
8  B13R1.133  N[C@@H](Cc1ccc(O)cc1)C(=O)O T0493 [0,1,0,0,0,0|1,0,1]=3
9  B13R1.133  O=C(O)C(=O)Cc1ccc(O)cc1 T4858 [0,1,0,0,0,0|0,0,0]=1
10  B13R1.202  NC(Cc1ccccc1O)C(=O)O T1695 [0,1,0,0,0,0|1,0,1]=3
11  B11R1.36  O=C(O)C(O)c1ccccc1 T4848 [0,0,0,0,1,0|0,0,2]=3
12  B11R1.36  O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,0,0,0,1,0|0,0,2]=3
13  B10R1.17  O=C\C=C\C1=CC=CC=C1 BBP01535 [2,0,0,0,0,0|0,0,1]=3
14  B10R1.17  O=C\C=C\c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,1]=3
15  B10R1.17  O=C\C=C\c1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,1]=3
16  B10R1.17  OC\C=C\C1=CC=CC=C1 BBP01097 [2,0,0,0,0,0|0,0,2]=4
17  B10R1.17  OC\C=C\C1=CC=CC=C1 T5S1550 [2,0,0,0,0,0|0,0,2]=4
18  B10R1.18  CC(=O)Oc1ccccc1 T0650 [2,0,0,0,0,0|1,0,1]=4
19  B10R1.18  O=C(O)Cc1ccccc1 T4935 [2,0,0,0,0,0|0,0,0]=2
20  B12R1.49  COC(=O)CC1=CC=C(O)C=C1 BBP04425 [1,1,0,0,0,0|2,0,0]=4
21  B12R1.21  CC(=O)CCC1=CC=C(O)C=C1 BBP04146 [1,1,0,0,0,0|1,0,1]=4
22  B12R1.21  CC(=O)CCc1ccc(O)cc1 T2S0633 [1,1,0,0,0,0|1,0,1]=4
23  B12R1.21  NC(=O)\C=C\C1=CC=C(O)C=C1 BBP01524 [1,1,0,0,0,0|1,0,1]=4
24  B12R1.21  O=C(O)CCc1ccc(O)cc1 T2862 [1,1,0,0,0,0|0,0,1]=3
25  B12R1.21  O=C(O)\C=C\C1=CC=C(O)C=C1 BBP00382 [1,1,0,0,0,0|0,0,1]=3
26  B12R1.21  O=C(O)\C=C\c1ccc(O)cc1 T2863 [1,1,0,0,0,0|0,0,1]=3
27  B12R1.21  O=C(O)\C=C\c1ccc(O)cc1 T7053 [1,1,0,0,0,0|0,0,1]=3
28  B12R1.125  O=C(O)CCc1ccccc1O T4892 [1,1,0,0,0,0|0,0,1]=3
29  B14R1.132  O=C(O)C(O)C(O)C1=CC=C(O)C=C1 BBP00184 [0,2,0,0,0,0|0,0,2]=4
30  B14R1.134  COC(=O)C(O)CC1=CC=C(O)C=C1 BBP03339 [0,2,0,0,0,0|0,0,2]=4
31  B14R1.686  N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O T0848 [0,2,0,0,0,0|1,0,1]=4
32  B14R1.686  O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 T3227 [0,2,0,0,0,0|0,0,2]=4
33  B12R2.18  O=C1Nc2ccccc2C1=O T6862 [1,0,0,1,0,0|1,0,0]=3
34  B12R2.24  O=C1C=CC2=C(C=CC=C2)O1 BBP03981 [1,0,0,1,0,0|2,0,0]=4
35  B12R2.24  O=c1ccc2ccccc2o1 T0775 [1,0,0,1,0,0|2,0,0]=4
36  B14R2.781  O=C(O)c1ccc2ccccc2n1 T4780 [0,0,0,1,0,1|1,0,1]=4