0  B7R1.3  BrC1=CC=NC=C1 AC-907/25004363 [0,0,0,0,0,0|2,0,2]=4
1  B7R1.3  IC1=CC=NC=C1 AC-907/25004389 [0,0,0,0,0,0|2,0,2]=4
2  B7R1.3  IC1=CN=CC=C1 AC-907/30003005 [0,0,0,0,0,0|2,0,2]=4
3  B7R1.3  NC1=CC=CC=N1 AC-907/25014346 [0,0,0,0,0,0|2,0,2]=4
4  B7R1.3  NC1=CC=NC=C1 AC-907/25014071 [0,0,0,0,0,0|2,0,2]=4
5  B7R1.3  NC1=CN=CC=C1 AC-907/25014070 [0,0,0,0,0,0|2,0,2]=4
6  B7R1.3  OC1=CC=CC=N1 AC-907/25014059 [0,0,0,0,0,0|1,0,3]=4
7  B7R1.3  OC1=CC=CN=N1 AC-907/30002019 [0,0,0,0,0,0|2,0,2]=4
8  B7R1.3  OC1=CC=NC=C1 AC-907/34116018 [0,0,0,0,0,0|1,0,3]=4
9  B7R1.3  OC1=CN=CC=C1 AC-907/25014060 [0,0,0,0,0,0|1,0,3]=4
10  B7R1.3  OC1=NC=NC=C1 AC-907/30002018 [0,0,0,0,0,0|2,0,2]=4
11  B7R1.3  [O-]C1=CC=NC=C1 AC-907/25005566 [0,0,0,0,0,0|1,0,3]=4
12  B8R1.3  CC1=NNC(=O)C=C1 AC-907/25005370 [0,1,0,0,0,0|2,0,1]=4
13  B8R1.3  O=C1C=CC(Br)=CN1 AC-907/25004372 [0,1,0,0,0,0|1,0,2]=4
14  B8R1.3  O=C1C=CC(Cl)=CN1 AC-907/25014042 [0,1,0,0,0,0|1,0,2]=4
15  B8R1.3  O=C1CCS(=O)CC1 AN-308/25123005 [0,1,0,0,0,0|1,0,2]=4
16  B8R1.4  CC1=CC=CC(=O)N1 AE-646/31214032 [0,1,0,0,0,0|1,0,2]=4
17  B8R1.4  NC1=NC(=O)C=CN1 AC-907/25004299 [0,1,0,0,0,0|2,0,1]=4
18  B8R1.5  CN1C=CC=CC1=O AC-907/25014126 [0,1,0,0,0,0|1,0,2]=4
19  B8R1.5  CN1C=NC=CC1=O AB-323/25048160 [0,1,0,0,0,0|2,0,1]=4
20  B8R1.5  O=C1C=CC=CN1O AC-907/25004409 [0,1,0,0,0,0|1,0,2]=4
21  B8R1.5  O=C1NC=CC=C1Br AG-690/03080022 [0,1,0,0,0,0|1,0,2]=4
22  B6R0.1  CCNC(=O)CN AS-787/43399854 [0,0,1,0,0,0|2,0,1]=4
23  B6R0.1  CNCC(=O)OC AO-181/25113008 [0,0,1,0,0,0|2,0,1]=4
24  B6R1.2  BrC1=NNC=C1 AC-907/30002001 [0,0,0,0,1,0|3,0,0]=4
25  B6R1.2  IC1=CC=NN1 AE-562/12222298 [0,0,0,0,1,0|3,0,0]=4
26  B6R1.2  O=C1NC=CN1 AK-564/25068002 [0,0,0,0,1,0|2,0,1]=4
27  B5R0.1  C\C(N)=C/C=O AJ-333/25022116 [1,0,1,0,0,0|2,0,0]=4
28  B7R0.3  CCSCC(=O)NN AE-641/40262190 [0,1,1,0,0,0|2,0,0]=4
29  B7R0.7  CCNC(=O)CNC AS-787/43399855 [0,1,1,0,0,0|1,0,1]=4
30  B7R0.4  C\C=C\C=C\C(=O)O AN-651/40229308 [0,1,1,0,0,0|1,0,1]=4
31  B7R1.1  O=CC1=CNC=C1 AC-776/25122024 [0,1,0,0,1,0|1,0,1]=4
32  B7R1.1  ON=C1CCCC1 AH-034/32464031 [0,1,0,0,1,0|0,0,2]=4
33  B7R1.1  O\N=C1/CCCN1 AG-664/25003377 [0,1,0,0,1,0|1,0,1]=4
34  B7R1.2  NC1=NC(=O)CS1 AE-641/00665038 [0,1,0,0,1,0|2,0,0]=4
35  B7R1.4  NC1CCOC1=O AR-527/43171946 [0,1,0,0,1,0|1,0,0]=3
36  B9R1.48  O=C1CCCCC(=O)N1 AE-641/30207056 [0,1,0,0,0,1|0,0,1]=3
37  B9R1.34  CC1CC(=O)CC(=O)C1 AC-907/25014355 [0,2,0,0,0,0|0,0,1]=3
38  B7R1.18  O=C(O)C1CCC1 AJ-190/40848564 [0,0,1,1,0,0|1,0,1]=4
39  B5R1.1  C1=CNN=C1 AC-907/25014006 [1,0,0,0,1,0|2,0,0]=4