0  B13R1.718  COC(=O)N\N=C\C1=CC=CN=C1 a00058 [0,0,0,0,0,0|3,0,1]=4
1  B13R1.718  O=C(CBr)NCCC1=CC=CC=C1 c03110 [0,0,0,0,0,0|3,0,0]=3
2  B12R1.8  CCNCCCC1=CC=CC=C1 c03816 [1,0,0,0,0,0|2,0,0]=3
3  B12R1.252  CC(=O)\C=N\NC1=CC=CC=C1 c08653 [1,0,0,0,0,0|2,0,1]=4
4  B12R1.252  CC(C)NCCC1=CC=CC=C1 c04038 [1,0,0,0,0,0|2,0,1]=4
5  B14R1.163  COC(=O)NNC(=O)C1=CC=CC=C1 c09857 [0,1,0,0,0,0|2,0,1]=4
6  B14R2.95  O=C(CBr)N1CCC2=C1C=CC=C2 c03113 [0,0,0,1,0,0|3,0,0]=4
7  B14R2.958  NNC(=O)C1CC1C2=CC=CC=C2 M06623 [0,0,0,1,0,0|2,0,0]=3
8  B12R1.27  COC(=O)NCC1=CC=CC=C1 c07841 [0,0,0,0,1,0|1,0,0]=2
9  B12R1.27  NNC(=O)COC1=CC=CC=C1 M01601 [0,0,0,0,1,0|3,0,0]=4
10  B12R1.27  O=C(CBr)NCC1=CC=CC=C1 c03084 [0,0,0,0,1,0|3,0,0]=4
11  B14R1.716  CNC(=O)CCNCC1=CC=CN=C1 e00845 [0,0,0,0,0,1|2,0,0]=3
12  B11R1.28  CCCNCC1=CC=CC=C1 a07316 [2,0,0,0,0,0|1,0,1]=4
13  B11R1.28  OCCNCC1=CC=CC=C1 a05540 [2,0,0,0,0,0|1,0,1]=4
14  B13R1.337  CC(C)NCCCC1=CC=CC=C1 c03973 [1,1,0,0,0,0|2,0,0]=4
15  B13R1.45  O=C(O)CCC(=O)C1=CC=CC=C1 c08612 [1,1,0,0,0,0|0,0,1]=3
16  B13R1.351  NC(=O)C(=O)CCC1=CC=CC=C1 e01165 [1,1,0,0,0,0|1,0,1]=4
17  B13R1.11  CCC(=O)NC(C)C1=CC=CC=C1 a05295 [0,1,0,0,1,0|2,0,0]=4
18  B13R1.14  CNC(=O)CCC1=CC=C(N)C=C1 c07674 [0,1,0,0,1,0|1,0,0]=3
19  B13R1.14  CNC(=O)COC1=CC=C(C)C=C1 c02590 [0,1,0,0,1,0|2,0,0]=4
20  B13R1.15  CNC(=O)CCC1=CC(N)=CC=C1 c07707 [0,1,0,0,1,0|1,0,0]=3
21  B13R1.15  CNC(=O)COC1=CC(C)=CC=C1 c02594 [0,1,0,0,1,0|2,0,0]=4
22  B13R1.15  CNC(=O)COC1=CC(F)=CC=C1 c04286 [0,1,0,0,1,0|2,0,0]=4
23  B13R1.528  CNC(=O)CCC1=C(N)C=CC=C1 c07689 [0,1,0,0,1,0|1,0,0]=3
24  B13R1.528  CNC(=O)COC1=C(C)C=CC=C1 c03106 [0,1,0,0,1,0|2,0,0]=4
25  B13R1.528  CNC(=O)COC1=C(F)C=CC=C1 c04291 [0,1,0,0,1,0|2,0,0]=4
26  B15R1.964  CNC(=O)CCN(C)CC1=CC=CC=C1 c07795 [0,1,0,0,0,1|1,0,0]=3
27  B15R1.964  COC(=O)CCC(=O)NC1=CC=CC=C1 a00278 [0,1,0,0,0,1|0,0,1]=3
28  B15R1.981  COC(=O)CC(=O)NC1=CC=C(C)C=C1 c07502 [0,2,0,0,0,0|1,0,1]=4
29  B15R1.89  CCOC(=O)CNC(=O)C1=CC=CC=C1 a07136 [0,2,0,0,0,0|1,0,1]=4
30  B15R1.762  COC(=O)CC(=O)NC1=C(Cl)C=CC=C1 c07539 [0,2,0,0,0,0|1,0,1]=4
31  B13R2.10  O=C1CCN(C2=CC=CC=C2)N1 c01833 [1,0,0,1,0,0|2,0,0]=4
32  B13R2.10  O=C1NC(C2=CC=CC=C2)CO1 M04885 [1,0,0,1,0,0|2,0,0]=4
33  B15R2.31  O=C1CN(CC2=CC=CC=C2)CCN1 c08443 [0,1,0,1,0,0|2,0,0]=4
34  B15R3.704  O=C1OCC2(C3=NC=CC=C3)CC12 c01367 [0,0,0,2,0,0|1,0,0]=3
35  B11R1.40  CCC(=O)NC1=CC=CC=C1 a03951 [0,0,0,0,2,0|2,0,0]=4
36  B11R1.40  COC(=O)NC1=CC=CC=C1 e00869 [0,0,0,0,2,0|1,0,0]=3
37  B11R1.40  NNC(=O)CC1=CC=CC=C1 M06886 [0,0,0,0,2,0|2,0,0]=4