0  B12R1.34  CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 DB00852 [0,0,0,0,0,0|0,0,0]=0
1  B12R1.34  CN[C@@H](C)[C@H](O)C1=CC=CC=C1 DB01364 [0,0,0,0,0,0|0,0,0]=0
2  B12R1.34  [C@H](C)(C1=CC=CC=C1)N(C)C=O DB04379 [0,0,0,0,0,0|4,0,0]=4
3  B11R1.16  [C@@H](O)(CCCl)C1=CC=CC=C1 DB06934 [1,0,0,0,0,0|2,0,0]=3
4  B11R1.36  C[C@@H](N)[C@@H](O)C1=CC=CC=C1 DB00397 [1,0,0,0,0,0|0,0,0]=1
5  B11R1.36  C[C@H](N)C(=O)C1=CC=CC=C1 DB01560 [1,0,0,0,0,0|0,0,2]=3
6  B11R1.36  C[C@H](N)[C@@H](O)C1=CC=CC=C1 DB01486 [1,0,0,0,0,0|0,0,0]=1
7  B11R1.36  O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [1,0,0,0,0,0|2,0,1]=4
8  B11R1.36  O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [1,0,0,0,0,0|2,0,1]=4
9  B11R1.40  CC(CC1=CC=CC=C1)NN DB09250 [1,0,0,0,0,0|1,0,0]=2
10  B11R1.40  CC[C@H](N)CC1=CC=CC=C1 DB02972 [1,0,0,0,0,0|2,0,0]=3
11  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 DB01577 [1,0,0,0,0,0|0,0,0]=1
12  B11R1.40  CN[C@H](C)CC1=CC=CC=C1 DB09571 [1,0,0,0,0,0|0,0,0]=1
13  B11R1.40  N[C@H](CO)CC1=CC=CC=C1 DB04484 [1,0,0,0,0,0|3,0,0]=4
14  B11R1.40  OC[C@@H](O)CC1=CC=CC=C1 DB02803 [1,0,0,0,0,0|3,0,0]=4
15  B13R1.21  CNC(C)C(=O)C1=CC=C(C)C=C1 DB13108 [0,1,0,0,0,0|0,0,2]=3
16  B13R1.21  [C@@H](C)(NC)[C@H](O)C1=CC=C(O)C=C1 DB11610 [0,1,0,0,0,0|0,0,0]=1
17  B13R1.152  C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C DB11278 [0,1,0,0,0,0|0,0,0]=1
18  B13R2.32  [C@H]1(N)CCC2=CC=CC=C2[C@@H]1O DB08654 [0,0,0,1,0,0|2,0,0]=3
19  B13R2.32  [C@H]1(N)CCC2=CC=CC=C2[C@H]1O DB07597 [0,0,0,1,0,0|2,0,0]=3
20  B13R2.32  [C@H]1(O)C=CC2=C(C=CC=C2)[C@H]1O DB08264 [0,0,0,1,0,0|2,0,1]=4
21  B10R1.15  CC(NN)C1=CC=CC=C1 DB09248 [2,0,0,0,0,0|2,0,0]=4
22  B10R1.15  N#C[C@@H](O)C1=CC=CC=C1 DB04737 [2,0,0,0,0,0|0,0,2]=4
23  B10R1.17  CNCCC1=CC=CC=N1 DB06698 [2,0,0,0,0,0|1,0,0]=3
24  B10R1.17  NCCCC1=CC=CC=C1 DB04410 [2,0,0,0,0,0|2,0,0]=4
25  B10R1.17  NNCCC1=CC=CC=C1 DB00780 [2,0,0,0,0,0|1,0,0]=3
26  B10R1.18  CC(N)CC1=CC=CC=C1 DB00182 [2,0,0,0,0,0|0,0,0]=2
27  B10R1.18  C[C@H](N)CC1=CC=CC=C1 DB01576 [2,0,0,0,0,0|0,0,0]=2
28  B12R1.16  CNCC(O)C1=CC=C(O)C=C1 DB09203 [1,1,0,0,0,0|0,0,0]=2
29  B12R1.17  CNC[C@H](O)C1=CC(O)=CC=C1 DB00388 [1,1,0,0,0,0|0,0,0]=2
30  B12R1.225  C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 DB00610 [1,1,0,0,0,0|0,0,0]=2
31  B12R1.225  [C@H](C)(C1=CC(O)=CC=C1)N(C)C DB04556 [1,1,0,0,0,0|2,0,0]=4
32  B12R1.43  [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [1,1,0,0,0,0|2,0,0]=4
33  B12R1.43  [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [1,1,0,0,0,0|2,0,0]=4
34  B12R1.194  CNC(C)(C)CC1=CC=CC=C1 DB01365 [1,1,0,0,0,0|0,0,0]=2
35  B14R1.85  CCN(C)[C@@H](C)[C@H](O)C1=CC=CC=C1 DB11587 [0,1,0,0,0,1|2,0,0]=4
36  B14R2.24  CC1NCCOC1C2=CC=CC=C2 DB00830 [0,1,0,1,0,0|0,0,0]=2
37  B14R2.598  CC1N=C(N)OC1C2=CC=CC=C2 DB01447 [0,1,0,1,0,0|0,0,2]=4
38  B12R1.27  NNC(C)COC1=CC=CC=C1 DB09251 [1,0,0,0,0,1|1,0,0]=3