0  B11R1.91  N=C(N)CCC1=CC=CC=C1 4091002 [0,0,0,0,0,0|3,0,0]=3
1  B11R1.91  N=C(N)NCC1=CC=CC=C1 4087928 [0,0,0,0,0,0|3,0,0]=3
2  B11R1.91  N=C(N)NCC1=CC=CC=C1 4089197 [0,0,0,0,0,0|3,0,0]=3
3  B11R1.91  O=C(O)\C=C\C1=CC=CN=C1 3020214 [0,0,0,0,0,0|3,0,1]=4
4  B10R1.17  CCNCC1=CC=CN=C1 9070410 [1,0,0,0,0,0|2,0,1]=4
5  B12R1.107  CN(CC(=O)O)C1=CC=CC=C1 4089836 [0,1,0,0,0,0|3,0,0]=4
6  B12R1.125  CC(C)NCC1=C(Br)C=CC=C1 4088303 [0,1,0,0,0,0|2,0,1]=4
7  B12R1.226  C=C(C)COC1=CC=CC(N)=C1 4091020 [0,1,0,0,0,0|3,0,0]=4
8  B12R2.24  NC1CCC2=C(C=CC=C2)C1 4087906 [0,0,0,1,0,0|2,0,1]=4
9  B10R1.18  CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,1,0|1,0,0]=2
10  B10R1.18  CC(N)CC1=CC=CC=N1 4000001 [0,0,0,0,1,0|2,0,1]=4
11  B10R1.18  CC(N)CC1=CC=NC=C1 4002036 [0,0,0,0,1,0|2,0,1]=4
12  B10R1.18  N=C(N)CC1=CC=CN=C1 4089686 [0,0,0,0,1,0|3,0,0]=4
13  B10R1.18  N=C(N)CC1=NC=CC=C1 4088302 [0,0,0,0,1,0|3,0,0]=4
14  B9R1.8  CNCC1=CC=NC=C1 3002392 [2,0,0,0,0,0|2,0,0]=4
15  B11R1.16  CCCC(N)C1=CC=CC=C1 4088376 [1,1,0,0,0,0|1,0,1]=4
16  B11R1.36  CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,1,0,0,1,0|1,0,1]=4
17  B11R1.36  CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,1,0,0,1,0|1,0,1]=4
18  B11R1.36  N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [0,1,0,0,1,0|2,0,0]=4
19  B11R1.36  N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [0,1,0,0,1,0|2,0,0]=4
20  B11R1.157  CC1=CC(CC(=O)O)=NC=C1 4079088 [0,1,0,0,1,0|2,0,0]=4
21  B11R1.157  N=C(N)CC1=CC(Cl)=CC=C1 4027438 [0,1,0,0,1,0|2,0,0]=4
22  B13R1.149  CC1=CC(OCCC(=O)O)=CC=C1 5579227 [0,1,0,0,0,1|2,0,0]=4
23  B13R1.348  CN(CC(=O)O)CC1=CC=CC=C1 4040865 [0,1,0,0,0,1|2,0,0]=4
24  B13R1.351  CC(NCC1=CC=CC=C1)C(=O)O 4088850 [0,1,0,0,0,1|2,0,0]=4
25  B13R1.14  COC(=O)COC1=CC=C(N)C=C1 4091347 [0,2,0,0,0,0|2,0,0]=4
26  B13R1.11  COC(=O)CC(N)C1=CC=CC=C1 4089654 [0,2,0,0,0,0|1,0,0]=3
27  B13R1.528  NNC(=O)CCC1=CC=CC=C1O 3005121 [0,2,0,0,0,0|2,0,0]=4
28  B13R1.147  CC(=O)NC(C)C1=CC=CC(N)=C1 3001959 [0,2,0,0,0,0|1,0,0]=3
29  B13R1.147  CC(=O)NC(C)C1=CC=CC(N)=C1 4028642 [0,2,0,0,0,0|1,0,0]=3
30  B11R2.1  CC1=NNC2=CC=CC=C21 4088223 [1,0,0,1,0,0|2,0,0]=4
31  B11R2.239  C1=CC=C(C2CCN2)C=C1 4019047 [1,0,0,1,0,0|1,0,1]=4
32  B11R2.239  C1=CC=C(C2CNC2)C=C1 4021486 [1,0,0,1,0,0|2,0,0]=4
33  B13R2.155  NC1=CC=C2CCC(=O)NC2=C1 3001973 [0,1,0,1,0,0|2,0,0]=4
34  B13R2.33  O=C1CCC2=CC=CC=C2CN1 4036517 [0,1,0,1,0,0|1,0,0]=3
35  B13R2.2383  C1=CC=C(COC2CNC2)C=C1 4089102 [0,1,0,1,0,0|1,0,1]=4
36  B13R2.369  NC1CC2=CC=CC=C2NC1=O 3002841 [0,1,0,1,0,0|2,0,0]=4
37  B13R2.328  NC1CC(=O)NC2=CC=CC=C21 4089977 [0,1,0,1,0,0|2,0,0]=4
38  B9R1.6  CC(=O)C1=NC=CN=C1 3020083 [0,0,0,0,2,0|2,0,0]=4