0 B6R0.6 C#CCCCCI P39398 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCCN O31570 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCNC L19187 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 CNCCCCN L19491 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CNCCCOC P37437 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.6 COCCCCN O29739 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 [N-]=[N+]=NCCCN M23188 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 [N-]=[N+]=NCCCO Q66001 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 C#CCCCI P39399 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 C#CCCCO P37563 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 C#CCCNC L20446 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 C#CCNCC P37598 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C#CCOCC O29883 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 CCNCCCl L21040 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 CNCCSC M23087 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.2 CSCCCN P39434 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 NCCCCS L19142 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.2 [N-]=[N+]=NCCN P42423 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.2 [N-]=[N+]=NCCO P41031 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.1 C#CCCCCCI Q66056 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.1 CCCCNCC#N P38905 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.1 CCCCOCCN P36925 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.1 O=CCCCCCCl O30105 [0,1,0,0,0,0|1,1,1]=4 23 B7R0.1 [N-]=[N+]=NCCCCN P41887 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.1 [N-]=[N+]=NCCCCO P37488 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.3 CCCC[C@@H](N)CO P35979 [0,1,0,0,0,0|1,1,1]=4 26 B7R0.3 CCCC[C@H](N)CO P35978 [0,1,0,0,0,0|1,1,1]=4 27 B7R0.7 COCC(C)N=C=O L20863 [0,1,0,0,0,0|1,1,0]=3 28 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.1 CC[C@H]1CCNC1 L14527 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.1 CNC1CCCC1 P36274 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.1 ICC1CCCC1 P39098 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.1 NCC1CCCC1 F-4714 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.1 NCC1CCCC1 L14012 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.1 NNC1CCCC1 O31761 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.3 BrC1=CCCCC1 N24288 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.3 C[C@H]1CCCCN1 P38855 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.3 NC1=NCCCN1 M15172 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.4 CC1CCNC1=O O30375 [0,0,0,1,0,0|0,1,2]=4 43 B7R1.4 CC1CCNC1C Q61659 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.4 CN1CCNC1=S O29860 [0,0,0,1,0,0|1,0,2]=4 45 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,0,0,1,0,0|0,1,2]=4 48 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,0,0,1,0,0|0,1,2]=4 51 B7R1.6 CCCC1CNC1 P43152 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.6 CCCC1CNC1 P44924 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.6 CCNC1CCC1 P34707 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.6 CCNC1CCC1 P45089 [0,0,0,1,0,0|1,0,2]=4 55 B7R1.6 CNCC1CCC1 P42057 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.6 CNCC1CCC1 P44415 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.6 ClCOC1CCC1 P49912 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.6 N#CCC1CCC1 P38067 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.6 NCCC1CCC1 L18182 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.6 NCCC1CCC1 P48448 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.6 NNCC1CCC1 L14190 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.6 O=C=NC1CCC1 P45443 [0,0,0,1,0,0|0,1,0]=2 63 B7R1.6 O=CCC1CCC1 P45355 [0,0,0,1,0,0|1,1,1]=4 64 B7R1.6 OCCC1CCC1 P34706 [0,0,0,1,0,0|1,1,1]=4 65 B7R1.6 S=C=NC1CCC1 P45411 [0,0,0,1,0,0|0,0,0]=1 66 B7R1.7 CNCCC1CC1 P40835 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.8 CC1CCC1CO P48346 [0,0,0,1,0,0|1,1,1]=4 68 B4R0.2 CCCNN O30752 [2,0,0,0,0,0|1,0,1]=4 69 B4R0.2 CNCCBr O34465 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.2 COCCI O28025 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.2 CSCCBr O31085 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.2 CSCCN P36563 [2,0,0,0,0,0|1,0,1]=4 73 B4R0.2 NCCCS A-986 [2,0,0,0,0,0|1,0,1]=4 74 B4R0.2 NCCCS M15465 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.1 C#CC(O)CCC P42817 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.1 CCC(S)CCO O29430 [1,1,0,0,0,0|0,1,1]=4 77 B6R0.1 CCC[C@@H](N)CO P35977 [1,1,0,0,0,0|0,1,1]=4 78 B6R0.1 CCC[C@H](N)CO P39535 [1,1,0,0,0,0|0,1,1]=4 79 B6R0.4 C#CCCC(C)O L18987 [1,1,0,0,0,0|1,0,1]=4 80 B6R0.4 CC(Br)CCC#N L20214 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.4 CC(C)CCON L20789 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.4 CNCCC(C)O P38146 [1,1,0,0,0,0|0,0,2]=4 83 B8R0.4 [N-]=[N+]=NCCCCCN P41116 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.4 [N-]=[N+]=NCCCCCN P41453 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.4 [N-]=[N+]=NCCCCCO P40624 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.4 [N-]=[N+]=NCCOCCN P42313 [0,2,0,0,0,0|2,0,0]=4 87 B8R0.4 [N-]=[N+]=NCCOCCO P41419 [0,2,0,0,0,0|2,0,0]=4 88 B6R1.2 CC1CCCN1 Q61737 [1,0,0,1,0,0|1,0,1]=4 89 B6R1.2 CC1CCNC1 M22664 [1,0,0,1,0,0|0,0,2]=4 90 B6R1.2 C[C@@H]1CCCN1 L14631 [1,0,0,1,0,0|1,0,1]=4 91 B6R1.2 C[C@@H]1CCNC1 L13628 [1,0,0,1,0,0|0,0,2]=4 92 B6R1.2 C[C@H]1CCNC1 L14084 [1,0,0,1,0,0|0,0,2]=4 93 B6R1.2 IC1CCCC1 I-9679 [1,0,0,1,0,0|1,0,1]=4 94 B6R1.2 NN1CCCC1 M23462 [1,0,0,1,0,0|1,0,1]=4 95 B6R1.3 BrCCC1CC1 O33551 [1,0,0,1,0,0|1,0,1]=4 96 B6R1.3 CNCC1CC1 L13551 [1,0,0,1,0,0|0,0,2]=4 97 B6R1.3 ICCC1CC1 I-9916 [1,0,0,1,0,0|1,0,1]=4 98 B6R1.3 N#CCC1CC1 O33326 [1,0,0,1,0,0|1,0,1]=4 99 B6R1.3 NCCC1CC1 G-5988 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.3 NNCC1CC1 H-8575 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.3 NNCC1CC1 I-9542 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.3 NNCC1CC1 K12084 [1,0,0,1,0,0|1,0,1]=4 103 B6R1.3 NNCC1CC1 L13728 [1,0,0,1,0,0|1,0,1]=4 104 B6R1.3 OCCC1CC1 G-5984 [1,0,0,1,0,0|0,1,1]=4 105 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|0,1,1]=4 106 B6R1.4 CC1CCC1N P44937 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.4 CC1CCC1N P47065 [1,0,0,1,0,0|1,0,1]=4 108 B6R1.4 CC1CCC1O L20058 [1,0,0,1,0,0|0,1,1]=4 109 B6R1.6 C#CC1CCC1 P45543 [1,0,0,1,0,0|1,0,1]=4 110 B6R1.6 CCC1CCN1 P47056 [1,0,0,1,0,0|1,0,1]=4 111 B6R1.6 CCC1CCN1 P48764 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.6 CCC1CNC1 P45196 [1,0,0,1,0,0|0,0,2]=4 113 B6R1.6 CCC1CNC1 P47098 [1,0,0,1,0,0|0,0,2]=4 114 B6R1.6 CNC1CCC1 O34360 [1,0,0,1,0,0|0,0,2]=4 115 B6R1.6 CNC1CCC1 P45733 [1,0,0,1,0,0|0,0,2]=4 116 B6R1.6 ClCC1CCC1 M23070 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.6 ICC1CCC1 H-8778 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.6 N#CC1CCC1 G-7033 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.6 NCC1CCC1 C-2308 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.6 NCC1CCC1 L13986 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.6 NNC1CCC1 O30528 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.6 NNC1CCC1 O31125 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.6 NNC1CCC1 P44553 [1,0,0,1,0,0|1,0,1]=4 124 B6R1.6 ON=C1CCC1 P45801 [1,0,0,1,0,0|0,1,1]=4 125 B6R1.8 C[C@H]1C[C@H]1CO P43750 [1,0,0,1,0,0|0,1,1]=4 126 B8R1.8 [N-]=[N+]=NC1CCCC1 P38734 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.8 [N-]=[N+]=NC1CCSC1 L19847 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.10 O=C=NCC1CCC1 P47945 [0,1,0,1,0,0|0,1,0]=3 129 B8R1.10 S=C=NCC1CCC1 P49812 [0,1,0,1,0,0|0,0,0]=2 130 B8R1.10 [N-]=[N+]=NCC1CNC1 P46821 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.10 [N-]=[N+]=NCC1CNC1 P46822 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.34 NC(=S)NC1CCC1 P45454 [0,1,0,1,0,0|0,0,2]=4