0  B3R0.1  CCNN H-8579 [0,0,0,0,0,0|3,0,0]=3
1  B3R0.1  CCNN O31940 [0,0,0,0,0,0|3,0,0]=3
2  B3R0.1  N#CCF Q53639 [0,0,0,0,0,0|3,0,1]=4
3  B2R0.1  Cl[Pt]Cl K12017 [1,0,0,0,0,0|3,0,0]=4
4  B2R0.1  O=[Pt]=O L21549 [1,0,0,0,0,0|2,1,0]=4
5  B4R0.1  C#CC(C)=O P41295 [0,1,0,0,0,0|2,0,1]=4
6  B4R0.1  C#CC(C)N P51445 [0,1,0,0,0,0|2,0,1]=4
7  B4R0.1  C#C[C@@H](C)N Q52993 [0,1,0,0,0,0|2,0,1]=4
8  B4R0.1  C#C[C@H](C)O Q52831 [0,1,0,0,0,0|2,0,1]=4
9  B4R0.1  C=C(C)CN P39039 [0,1,0,0,0,0|2,0,1]=4
10  B4R0.1  CC(=O)CN P45193 [0,1,0,0,0,0|2,0,1]=4
11  B4R0.1  CC(Br)CO O34000 [0,1,0,0,0,0|1,1,1]=4
12  B4R0.1  CC(C)NO O30196 [0,1,0,0,0,0|2,1,0]=4
13  B4R0.1  CC(N)CS L19436 [0,1,0,0,0,0|1,0,2]=4
14  B4R0.1  CC(S)CN L19389 [0,1,0,0,0,0|2,0,1]=4
15  B4R0.1  C[C@@H](Cl)CO 10058 [0,1,0,0,0,0|1,1,1]=4
16  B4R0.2  C#CCCI P38108 [0,1,0,0,0,0|2,0,1]=4
17  B4R0.2  C#CCCN O34440 [0,1,0,0,0,0|2,0,1]=4
18  B4R0.2  C#CCNC P38619 [0,1,0,0,0,0|1,0,2]=4
19  B4R0.2  C#COCC P35055 [0,1,0,0,0,0|2,0,1]=4
20  B4R0.2  C=CCCN L22153 [0,1,0,0,0,0|2,0,1]=4
21  B4R0.2  CC#CCBr P38739 [0,1,0,0,0,0|2,0,1]=4
22  B4R0.2  CCCNN O30752 [0,1,0,0,0,0|2,0,1]=4
23  B4R0.2  CNCCBr O34465 [0,1,0,0,0,0|1,0,2]=4
24  B4R0.2  COCC=O F-4461 [0,1,0,0,0,0|1,1,1]=4
25  B4R0.2  COCCI O28025 [0,1,0,0,0,0|2,0,1]=4
26  B4R0.2  CSCCBr O31085 [0,1,0,0,0,0|2,0,1]=4
27  B4R0.2  CSCCN P36563 [0,1,0,0,0,0|2,0,1]=4
28  B4R0.2  NCCCS A-986 [0,1,0,0,0,0|1,0,2]=4
29  B4R0.2  NCCCS M15465 [0,1,0,0,0,0|1,0,2]=4
30  B4R1.1  C1CNC1 C-3559 [0,0,0,1,0,0|1,0,2]=4
31  B4R1.2  OC1CC1 L13591 [0,0,0,1,0,0|1,1,1]=4
32  B3R0.2  CC(=O)[O-] P38729 [1,1,0,0,0,0|0,1,1]=4
33  B3R0.2  CC(=O)[O-] P40879 [1,1,0,0,0,0|0,1,1]=4
34  B3R0.2  C[PH](C)=O O30537 [1,1,0,0,0,0|0,1,1]=4
35  B3R0.2  N=C(N)N 10428 [1,1,0,0,0,0|1,0,1]=4
36  B5R0.2  [N-]=[N+]=NCCN P42423 [0,2,0,0,0,0|2,0,0]=4
37  B5R0.2  [N-]=[N+]=NCCO P41031 [0,2,0,0,0,0|2,0,0]=4