0  B5R0.1  CCSC(=N)N AE-641/00560030 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  C\C(N)=C/C=O AJ-333/25022116 [0,0,0,0,0,0|3,0,0]=3
2  B4R0.1  NCC(=O)O AB-131/40217813 [1,0,0,0,0,0|1,0,1]=3
3  B6R0.1  CCNC(=O)CN AS-787/43399854 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.1  CNCC(=O)OC AO-181/25113008 [0,1,0,0,0,0|1,0,1]=3
5  B6R0.2  CC(C)=CC(=O)O AE-848/32066036 [0,1,0,0,0,0|0,0,0]=1
6  B6R0.4  O=CNCC(=O)O AH-034/32838045 [0,1,0,0,0,0|1,0,1]=3
7  B6R1.2  BrC1=NNC=C1 AC-907/30002001 [0,0,0,1,0,0|3,0,0]=4
8  B6R1.2  IC1=CC=NN1 AE-562/12222298 [0,0,0,1,0,0|3,0,0]=4
9  B6R1.2  NC1=NC=CO1 AN-584/43408342 [0,0,0,1,0,0|2,0,1]=4
10  B6R1.2  O=C1NC=CN1 AK-564/25068002 [0,0,0,1,0,0|2,0,1]=4
11  B7R0.2  CO\C(C)=C/C(=O)O AJ-087/25124015 [0,2,0,0,0,0|0,0,0]=2
12  B7R0.5  CSCC(N)C(=O)O AO-800/41069568 [0,2,0,0,0,0|0,0,2]=4
13  B7R0.16  C\C(Br)=C(/C)C(=O)O AI-942/25121055 [0,2,0,0,0,0|0,0,0]=2
14  B7R0.13  CCC(C)(O)C(=O)O AB-131/40897105 [0,2,0,0,0,0|0,0,2]=4
15  B7R0.4  C\C=C\C=C\C(=O)O AN-651/40229308 [0,2,0,0,0,0|0,0,0]=2
16  B7R0.6  CC(=O)NCC(=O)O AB-131/40177771 [0,2,0,0,0,0|0,0,1]=3
17  B7R0.6  CN(C)\C=C\[N+](=O)[O-] AN-308/25123016 [0,2,0,0,0,0|1,0,1]=4
18  B5R1.1  C1=CNN=C1 AC-907/25014006 [1,0,0,1,0,0|2,0,0]=4
19  B5R1.1  C1=COC=N1 AA-511/25015522 [1,0,0,1,0,0|1,0,1]=4
20  B7R1.1  O=CC1=CNC=C1 AC-776/25122024 [0,1,0,1,0,0|2,0,0]=4
21  B7R1.1  OCC1=COC=C1 AE-641/00180028 [0,1,0,1,0,0|2,0,0]=4
22  B7R1.2  CC1=CC(C)=NN1 AE-848/32586026 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.2  CC1=CNC(C)=N1 AC-907/25014081 [0,1,0,1,0,0|2,0,0]=4
24  B7R1.2  CC1=CNC(S)=N1 AP-836/33429062 [0,1,0,1,0,0|1,1,0]=4
25  B7R1.2  CC1=CSC(=S)N1 AB-601/30915006 [0,1,0,1,0,0|1,1,0]=4
26  B7R1.2  CC1=NC(O)=NN1 AC-907/25004250 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.2  CC1=NNC(Cl)=C1 AC-907/25004293 [0,1,0,1,0,0|2,0,0]=4
28  B7R1.2  O=C1NC(O)=CS1 AC-907/30002002 [0,1,0,1,0,0|2,0,0]=4
29  B7R1.3  OC1=CC=CC=N1 AC-907/25014059 [0,1,0,1,0,0|1,0,1]=4
30  B7R1.3  OC1=CC=CN=N1 AC-907/30002019 [0,1,0,1,0,0|1,0,1]=4
31  B7R1.3  OC1=CC=NC=C1 AC-907/34116018 [0,1,0,1,0,0|1,0,1]=4
32  B7R1.3  OC1=CN=CC=C1 AC-907/25014060 [0,1,0,1,0,0|1,0,1]=4
33  B7R1.3  OC1=CN=CC=N1 AC-907/25004286 [0,1,0,1,0,0|1,0,1]=4
34  B7R1.3  OC1=NC=CC=N1 AB-323/25048086 [0,1,0,1,0,0|1,0,1]=4
35  B7R1.3  OC1=NC=NC=C1 AC-907/30002018 [0,1,0,1,0,0|1,0,1]=4
36  B7R1.4  NC1CCOC1=O AR-527/43171946 [0,1,0,1,0,0|0,0,2]=4
37  B7R1.18  O=C(O)C1CCC1 AJ-190/40848564 [0,1,0,1,0,0|0,0,2]=4