0  B11R1.40  CNC(C)CC1=CN=CC=N1 B037035 [0,0,0,0,0,0|2,0,0]=2
1  B10R1.17  BrCCCC1=CN=CC=C1 B050854 [1,0,0,0,0,0|3,0,0]=4
2  B10R1.17  NCCCC1=CC=CC=N1 B048973 [1,0,0,0,0,0|3,0,0]=4
3  B10R1.18  CC(N)CC1=CC=CC=N1 B037029 [1,0,0,0,0,0|1,0,0]=2
4  B10R1.18  NC(=S)CC1=CC=CC=C1 B039022 [1,0,0,0,0,0|1,0,1]=3
5  B12R1.34  COC(=O)C(N)C1=CC=CC=C1 B030337 [0,1,0,0,0,0|2,0,1]=4
6  B12R1.43  CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,1,0,0,0,0|2,0,0]=3
7  B12R1.49  NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [0,1,0,0,0,0|2,0,1]=4
8  B12R1.50  CNC(C)CC1=CC(C)=CC=N1 B037033 [0,1,0,0,0,0|1,0,0]=2
9  B12R1.194  C#CC(C)(O)CC1=CC=CC=C1 B049576 [0,1,0,0,0,0|1,0,1]=3
10  B12R2.18  CN1C(N)=NC2=C1C=CC=C2 B000495 [0,0,0,1,0,0|2,0,1]=4
11  B12R2.32  NCC1CC2=CC=CC=C2O1 B049791 [0,0,0,1,0,0|3,0,0]=4
12  B10R1.15  CCC(N)C1=CC=CC=C1 B006605 [0,0,0,0,1,0|2,0,0]=3
13  B12R1.27  NNC(=O)CNC1=CC=CC=C1 B003339 [0,0,0,0,0,1|2,0,1]=4
14  B9R1.8  BrCCC1=NC=CC=C1 B050856 [2,0,0,0,0,0|2,0,0]=4
15  B9R1.8  CNCC1=CC=CC=N1 B059678 [2,0,0,0,0,0|1,0,0]=3
16  B9R1.8  CNCC1=NC=CN=C1 B050431 [2,0,0,0,0,0|2,0,0]=4
17  B9R1.8  ClCCC1=NC=CC=C1 B050813 [2,0,0,0,0,0|2,0,0]=4
18  B9R1.8  NOCC1=CC=CC=C1 B022277 [2,0,0,0,0,0|1,0,0]=3
19  B11R1.1  NCCCC1=CC=C(Cl)C=C1 B049887 [1,1,0,0,0,0|2,0,0]=4
20  B11R1.17  NCCCC1=CC=CC=C1Cl B049213 [1,1,0,0,0,0|2,0,0]=4
21  B11R1.7  C#CC(C)(O)C1=CC=CC=C1 B048575 [0,1,0,0,1,0|1,0,1]=4
22  B11R1.22  CNC(C)C1=CC=C(F)C=C1 B039530 [0,1,0,0,1,0|0,0,0]=2
23  B13R1.254  C#CC(C)(O)CCC1=CC=CC=C1 B049592 [0,1,0,0,0,1|1,0,1]=4
24  B11R1.25  CNC(C)CCC1=CC=CO1 B020890 [0,0,1,1,0,0|1,0,1]=4
25  B13R2.45  CN1C2=CC=CC=C2N=C1CO B039671 [0,1,0,1,0,0|1,0,1]=4
26  B13R2.423  O=C(O)C1CC1C2=CC=CC=C2 B022610 [0,1,0,1,0,0|2,0,0]=4
27  B13R2.435  O=C(O)C1CC2=CC=CC=C2C1 B049481 [0,1,0,1,0,0|2,0,0]=4
28  B13R2.4825  CC1CC2=C(Br)C=CC=C2C1=O B059778 [0,1,0,1,0,0|2,0,0]=4
29  B9R1.12  CNCCC1=CNN=C1 B037042 [1,0,0,0,1,0|2,0,0]=4
30  B9R1.6  CC(N)C1=CC=NC=C1 B006179 [1,0,0,0,1,0|1,0,0]=3
31  B9R1.13  CC(C)CN1C=CC=N1 B034864 [1,0,0,0,1,0|2,0,0]=4
32  B9R1.13  CC(N)CC1=CC=CO1 B030489 [1,0,0,0,1,0|1,0,0]=3
33  B9R1.13  CC(N)CN1C=CC=N1 B021100 [1,0,0,0,1,0|2,0,0]=4
34  B9R1.13  CC(N)CN1C=CN=C1 B049820 [1,0,0,0,1,0|2,0,0]=4