0  B13R1.351  O=C(O)C(=O)OCC1=CC=CC=C1 D76053 [0,0,0,0,0,0|2,0,1]=3
1  B12R1.27  C[C@@H](CN)OCC1=CC=CC=C1 AT22581 [1,0,0,0,0,0|2,0,1]=4
2  B12R1.27  C[C@@H](CO)OCC1=CC=CC=C1 F31051 [1,0,0,0,0,0|2,0,1]=4
3  B12R1.252  C[C@H](N)COCC1=CC=CC=C1 75113 [1,0,0,0,0,0|1,0,1]=3
4  B14R1.756  N#C[C@@H](N)C(=O)OCC1=CC=CC=C1 AC7057 [0,1,0,0,0,0|1,0,1]=3
5  B14R2.31  OC1CCC1OCC2=CC=CC=C2 AT22842 [0,0,0,1,0,0|2,0,1]=4
6  B14R2.741  N[C@H]1CC2=C(C=CC=C2)CNC1=O AT22337 [0,0,0,1,0,0|2,0,0]=3
7  B14R2.741  N[C@H]1CC2=C(C=CC=C2)CNC1=O AT22338 [0,0,0,1,0,0|2,0,0]=3
8  B13R1.42  [C-]#[N+]CC(=O)OCC1=CC=CC=C1 AC8601 [1,1,0,0,0,0|0,0,1]=3
9  B13R1.3523  CC(C)(O)COCC1=CC=CC=C1 AT19586 [1,1,0,0,0,0|0,0,1]=3
10  B13R1.148  CC(C)C(=O)CC1=CC(N)=CC=C1 D75586 [0,1,0,0,1,0|0,0,0]=2
11  B15R1.3678  CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 D75504 [0,1,0,0,0,1|0,0,0]=2
12  B13R2.10  O=C1CC[C@@H](C2=CC=NC=C2)N1 AT26736 [1,0,0,1,0,0|2,0,0]=4
13  B13R2.10  O=C1CC[C@H](C2=CC=CC=C2)C1 94454 [1,0,0,1,0,0|1,0,0]=3
14  B13R2.3122  CC1(C)NCCC2=C1C=CC=C2 D86211 [1,0,0,1,0,0|2,0,0]=4
15  B13R2.435  CC(C)C1=CC2=C(C=CC=C2)N1 78635 [0,0,0,1,1,0|1,0,1]=4
16  B15R2.4083  O=C1[C@@H](O)CCN1CC2=CC=CC=C2 AT23557 [0,1,0,1,0,0|2,0,0]=4
17  B15R2.24490  C[C@H](OCC1=CC=CC=C1)C2COC2 D97146 [0,1,0,1,0,0|1,0,1]=4
18  B11R1.40  CNC(=O)NC1=CC=CC=C1 D77088 [1,0,0,0,1,0|2,0,0]=4
19  B11R1.40  COC(=N)CC1=CC=CC=C1 C10559 [1,0,0,0,1,0|2,0,0]=4
20  B11R1.36  CC(C)[C@H](C)C1=CC=CC=C1 T70930 [0,0,0,0,2,0|1,0,1]=4