0 B4R0.2 C#CCCI P38108 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCCN O34440 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C#CCNC P38619 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C#COCC P35055 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 C=CCCN L22153 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 CC#CCBr P38739 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 CCCNN O30752 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 CNCCBr O34465 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 COCC=O F-4461 [0,0,0,0,0,0|2,1,1]=4 9 B4R0.2 COCCI O28025 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 CSCCBr O31085 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.2 CSCCN P36563 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.2 NCCCS A-986 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.2 NCCCS M15465 [0,0,0,0,0,0|2,0,2]=4 14 B3R0.1 CCNN H-8579 [1,0,0,0,0,0|1,0,1]=3 15 B3R0.1 CCNN O31940 [1,0,0,0,0,0|1,0,1]=3 16 B3R0.1 N#CCF Q53639 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(N)CCO P39048 [0,1,0,0,0,0|1,1,1]=4 18 B5R0.1 CC(O)CCN M22972 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(O)CON M15150 [0,1,0,0,0,0|3,0,0]=4 20 B5R0.1 CCC[C@H](C)N I-9318 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.1 CNCC(C)O P40721 [0,1,0,0,0,0|3,0,0]=4 22 B5R0.1 CNC[C@@H](C)O P41738 [0,1,0,0,0,0|3,0,0]=4 23 B5R0.1 CNC[C@H](C)O P36531 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.1 COCC(C)Br O32164 [0,1,0,0,0,0|3,0,0]=4 25 B5R0.1 C[C@@H](N)CCO F-4752 [0,1,0,0,0,0|1,1,1]=4 26 B5R0.1 C[C@H](N)CC#N Q66038 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.1 C[C@H](N)CCO F-4570 [0,1,0,0,0,0|1,1,1]=4 28 B5R0.2 C#CCCCI P39399 [0,1,0,0,0,0|2,0,1]=4 29 B5R0.2 C#CCCCO P37563 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.2 C#CCCNC L20446 [0,1,0,0,0,0|2,0,1]=4 31 B5R0.2 C#CCNCC P37598 [0,1,0,0,0,0|1,0,2]=4 32 B5R0.2 C#CCOCC O29883 [0,1,0,0,0,0|2,0,1]=4 33 B5R0.2 CCNCCCl L21040 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.2 CNCCSC M23087 [0,1,0,0,0,0|3,0,0]=4 35 B5R0.2 CSCCCN P39434 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.2 NCCCCS L19142 [0,1,0,0,0,0|1,0,2]=4 37 B5R0.2 [N-]=[N+]=NCCN P42423 [0,1,0,0,0,0|2,0,0]=3 38 B5R0.2 [N-]=[N+]=NCCO P41031 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.3 C#CC(O)CC P38163 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.3 CCC(C)NN O30637 [0,1,0,0,0,0|3,0,0]=4 41 B5R1.1 C1CSCO1 P51538 [0,0,0,1,0,0|1,0,2]=4 42 B5R1.2 C=C1CCC1 P49771 [0,0,0,1,0,0|2,0,1]=4 43 B5R1.2 CC1CCN1 M22690 [0,0,0,1,0,0|1,0,2]=4 44 B5R1.2 CC1CCN1 P44577 [0,0,0,1,0,0|1,0,2]=4 45 B5R1.2 CC1CCO1 Q53239 [0,0,0,1,0,0|1,1,1]=4 46 B5R1.2 CC1CNC1 C-2879 [0,0,0,1,0,0|3,0,0]=4 47 B5R1.2 C[C@@H]1CCN1 P45172 [0,0,0,1,0,0|1,0,2]=4 48 B5R1.2 C[C@@H]1CCO1 Q53238 [0,0,0,1,0,0|1,1,1]=4 49 B5R1.2 C[C@H]1CCN1 P44797 [0,0,0,1,0,0|1,0,2]=4 50 B5R1.2 C[C@H]1CCO1 Q53237 [0,0,0,1,0,0|1,1,1]=4 51 B5R1.2 IC1CCC1 L21363 [0,0,0,1,0,0|2,0,1]=4 52 B5R1.2 NC1CCC1 P45382 [0,0,0,1,0,0|2,0,1]=4 53 B5R1.2 O=C1CCN1 P35040 [0,0,0,1,0,0|0,1,2]=4 54 B5R1.3 CNC1CC1 G-6453 [0,0,0,1,0,0|3,0,0]=4 55 B5R1.3 ICC1CC1 P38738 [0,0,0,1,0,0|2,0,1]=4 56 B5R1.3 NNC1CC1 H-8725 [0,0,0,1,0,0|3,0,0]=4 57 B5R1.3 NNC1CC1 O31496 [0,0,0,1,0,0|3,0,0]=4 58 B5R1.3 SCC1CC1 F-4776 [0,0,0,1,0,0|1,0,2]=4 59 B4R0.1 C#CC(C)N P51445 [1,1,0,0,0,0|1,0,1]=4 60 B4R0.1 C#C[C@@H](C)N Q52993 [1,1,0,0,0,0|1,0,1]=4 61 B4R0.1 C#C[C@H](C)O Q52831 [1,1,0,0,0,0|1,0,1]=4 62 B4R0.1 CC(Br)CO O34000 [1,1,0,0,0,0|0,1,1]=4 63 B4R0.1 CC(C)NO O30196 [1,1,0,0,0,0|0,1,1]=4 64 B4R0.1 CC(N)CS L19436 [1,1,0,0,0,0|0,0,2]=4 65 B4R0.1 CC(S)CN L19389 [1,1,0,0,0,0|1,0,1]=4 66 B4R0.1 C[C@@H](Cl)CO 10058 [1,1,0,0,0,0|0,1,1]=4 67 B6R0.6 [N-]=[N+]=NCCCN M23188 [0,2,0,0,0,0|2,0,0]=4 68 B6R0.6 [N-]=[N+]=NCCCO Q66001 [0,2,0,0,0,0|2,0,0]=4 69 B4R1.1 C1CNC1 C-3559 [1,0,0,1,0,0|0,0,2]=4 70 B4R1.2 OC1CC1 L13591 [1,0,0,1,0,0|0,1,1]=4 71 B6R1.2 S=C1NCCO1 O31137 [0,1,0,1,0,0|0,0,2]=4