0  B14R1.818  CC(=O)CC(=O)NCC1=CC=CC=C1 BB54-0159 [0,0,0,0,0,0|1,0,0]=1
1  B13R1.42  N#CCC(=O)NCC1=CC=CC=C1 BB05-2779 [1,0,0,0,0,0|2,0,1]=4
2  B13R1.42  N#CCC(=O)NCC1=CC=CC=C1 BB12-1367 [1,0,0,0,0,0|2,0,1]=4
3  B13R1.42  NCCC(=O)NCC1=CC=CC=C1 BB53-1853 [1,0,0,0,0,0|2,0,1]=4
4  B13R1.337  CC(=O)\C=C\C=C\C1=CC=CC=C1 BB17-2233 [1,0,0,0,0,0|1,0,2]=4
5  B13R1.337  O=C(O)CCSCC1=CC=CC=C1 BB12-2751 [1,0,0,0,0,0|1,1,1]=4
6  B15R2.27  NC1=CC(=O)CC(C2=CC=CC=C2)C1 BB58-3336 [0,0,0,1,0,0|2,0,1]=4
7  B15R2.325  NC1CC(=O)N(CC2=CC=CC=C2)C1 BB58-0012 [0,0,0,1,0,0|2,0,1]=4
8  B15R2.325  O=C1CN(CC2=CC=CC=C2)C(=O)N1 BB54-5324 [0,0,0,1,0,0|2,0,0]=3
9  B13R1.348  CC(=O)CC(=O)NC1=CC=CC=C1 BB12-1362 [0,0,0,0,1,0|1,0,0]=2
10  B13R1.351  CC(=O)\C(C)=N\NC1=CC=CC=C1 BB20-0219 [0,0,0,0,1,0|3,0,0]=4
11  B13R1.351  CC(=O)\C(Cl)=N/NC1=CC=CC=C1 BB58-5107 [0,0,0,0,1,0|3,0,0]=4
12  B13R1.351  O=C(O)C(=O)CCC1=CC=CC=C1 BB12-2929 [0,0,0,0,1,0|2,0,0]=3
13  B15R1.5919  O=C(O)CCC(=O)NCC1=CC=CC=C1 BB26-0061 [0,0,0,0,0,1|2,0,0]=3
14  B12R1.27  CCC(=O)NNC1=CC=CC=C1 BB01-7426 [2,0,0,0,0,0|2,0,0]=4
15  B14R1.716  COC(=O)CCNCC1=CC=CC=C1 BB55-8607 [1,1,0,0,0,0|1,0,1]=4
16  B14R1.6449  O=C(O)[C@@H](O)COCC1=CC=CC=C1 BB31-1799 [1,1,0,0,0,0|1,0,1]=4
17  B14R1.337  CC(=O)CC(=O)NC1=C(F)C=CC=C1 BB10-1201 [0,1,0,0,1,0|1,0,0]=3
18  B14R1.417  CC(=O)CC(=O)N(C)C1=CC=CC=C1 BB57-4610 [0,1,0,0,1,0|1,0,0]=3
19  B14R1.1485  O=C(O)CS(=O)(=O)CC1=CC=CC=C1 BB55-4654 [0,1,0,0,1,0|2,0,0]=4
20  B16R1.4122  C=C(CC(=O)NCC1=CC=CC=C1)C(=O)O BB20-3159 [0,1,0,0,0,1|2,0,0]=4
21  B14R2.2  CC(=O)\C=C1/OCC2=C1C=CC=C2 BB57-2463 [1,0,0,1,0,0|0,0,1]=3
22  B14R2.249  O=C1CC(=O)CC(C2=CC=CS2)C1 BB55-8433 [0,0,0,1,1,0|2,0,0]=4
23  B16R2.5963  O=C(O)C1C(=O)NCC1C2=CC=CC=C2 BB55-4555 [0,0,0,1,0,1|2,0,0]=4
24  B16R2.95959  O=C1CC(=O)CC(C2=CC=CC=C2O)C1 BB12-3869 [0,1,0,1,0,0|1,0,0]=3
25  B16R2.79341  O=C1CC(=O)CC(C2=CC=C(F)C=C2)C1 BB12-3871 [0,1,0,1,0,0|1,0,0]=3
26  B16R2.80704  CC1=CC(C2CC(=O)CC(=O)C2)=CC=C1 BB12-3868 [0,1,0,1,0,0|1,0,0]=3
27  B12R1.252  CC(=O)CCCC1=CC=CC=N1 BB54-3908 [1,0,0,0,1,0|1,0,1]=4
28  B12R1.252  CC(=O)NCCC1=CC=CC=C1 BB01-7779 [1,0,0,0,1,0|1,0,1]=4
29  B12R1.252  O=C(O)COCC1=CC=CC=C1 BB01-5008 [1,0,0,0,1,0|1,0,0]=3
30  B12R1.43  CC(=O)C(N)CC1=CC=CC=C1 BB54-3217 [0,0,0,0,2,0|1,0,1]=4
31  B12R1.43  O=C(O)C(=O)NC1=CC=CC=C1 BB55-4698 [0,0,0,0,2,0|2,0,0]=4
32  B12R1.107  CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,0,0,0,2,0|0,0,0]=2
33  B16R1.608  O=C(O)CCNC(=O)OCC1=CC=CC=C1 BB12-2902 [0,0,0,0,0,2|1,0,0]=3