0 B9R0.45 C#CCCCCCCCI Q66055 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.45 COCCNCCCCO Q69506 [0,0,0,0,0,0|3,1,0]=4 2 B9R0.45 NCCCCCCCCO P40196 [0,0,0,0,0,0|1,1,0]=2 3 B9R0.45 NCCOCCOCCO P36924 [0,0,0,0,0,0|3,1,0]=4 4 B9R0.45 OCCOCCOCCBr P37295 [0,0,0,0,0,0|3,1,0]=4 5 B9R0.45 OCCOCCOCCI P36988 [0,0,0,0,0,0|3,1,0]=4 6 B9R0.45 [N-]=[N+]=NCCCCCCN L19181 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.45 [N-]=[N+]=NCCCCCCN P41405 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.45 [N-]=[N+]=NCCCCCCO P41187 [0,0,0,0,0,0|3,1,0]=4 9 B8R0.4 C#CCCCCCCI Q66057 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.4 ClCCCOCCCCl M15578 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.4 NCCCCCCCO P40165 [1,0,0,0,0,0|1,1,0]=3 12 B8R0.4 OCCCNCCCO F-4132 [1,0,0,0,0,0|1,2,0]=4 13 B8R0.4 OCCCNCCCO O29405 [1,0,0,0,0,0|1,2,0]=4 14 B8R0.4 OCCCOCCCO P39459 [1,0,0,0,0,0|1,2,0]=4 15 B10R0.1 CCCCCCN(C)CCO Q66066 [0,1,0,0,0,0|2,1,0]=4 16 B10R0.4 CCCCCCCCB(O)O Q66526 [0,1,0,0,0,0|2,1,0]=4 17 B10R0.4 NCCCCCCCC(=O)O P43125 [0,1,0,0,0,0|1,1,1]=4 18 B10R0.71 NCCCCCCCCCO P42705 [0,1,0,0,0,0|1,1,0]=3 19 B10R0.71 [N-]=[N+]=NCCCCCCCN P35662 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.71 [N-]=[N+]=NCCCCCCCO P37319 [0,1,0,0,0,0|2,1,0]=4 21 B10R1.4 CCOC1CCCCC1N Q59678 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.4 CNCC1CCCCC1O Q59596 [0,0,0,1,0,0|2,1,0]=4 23 B10R1.4 N#CC[C@@H]1CCCC[C@H]1O P49970 [0,0,0,1,0,0|1,1,1]=4 24 B10R1.17 BrCCCC1CCCCC1 P38702 [0,0,0,1,0,0|2,0,0]=3 25 B10R1.17 BrCCCC1CCOCC1 Q61433 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.17 CCCCC1CCNCC1 M23876 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.17 CNCCC1CCCCC1 P34718 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.17 CNCCC1CCCCC1 P35769 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.17 ICCCC1CCCCC1 P41134 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.17 N#CCCC1CCCCO1 Q57794 [0,0,0,1,0,0|1,1,1]=4 31 B10R1.17 NCCCC1CCCCC1 P34722 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.17 NCCCC1CCOCC1 Q57757 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.17 NCCCC1CCOCC1 Q57758 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.17 NCCCN1CCCCC1 P39451 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.17 NNCCC1CCCCC1 Q59501 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.17 OCCCC1CCCCC1 P42600 [0,0,0,1,0,0|1,1,0]=3 37 B10R1.17 OCCCC1CCNCC1 P36532 [0,0,0,1,0,0|2,1,0]=4 38 B10R1.17 OCCCC1CCOCC1 Q57775 [0,0,0,1,0,0|2,1,0]=4 39 B10R1.17 OCCCN1CCCCC1 Q55769 [0,0,0,1,0,0|2,1,0]=4 40 B10R1.20 CCC1CCCCC1CN Q59835 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.20 COC1CCCCC1CO P40621 [0,0,0,1,0,0|2,1,0]=4 42 B10R1.20 NCC1CCCCC1CF Q59508 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.21 CCCCCC1CCCN1 Q59373 [0,0,0,1,0,0|2,0,0]=3 44 B10R1.21 CCCCCC1CCCN1 Q59374 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.21 CNCCCC1CCCC1 P40842 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.21 CNCCCC1CCCC1 P42969 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.21 OCCCOC1CCCC1 Q59134 [0,0,0,1,0,0|2,1,0]=4 48 B10R1.29 CCCC[C@@H]1CNC[C@H]1O Q62157 [0,0,0,1,0,0|2,1,0]=4 49 B10R1.85 N#CCC1CCCCCC1 P37516 [0,0,0,1,0,0|2,0,1]=4 50 B10R1.85 NCCC1CCCCCC1 P38052 [0,0,0,1,0,0|2,0,0]=3 51 B7R0.1 CCCCOCCN P36925 [2,0,0,0,0,0|2,0,0]=4 52 B9R0.2 CCCCCCCB(O)O N24230 [1,1,0,0,0,0|1,1,0]=4 53 B9R0.5 CCCCCC(O)CCO O28430 [1,1,0,0,0,0|0,1,0]=3 54 B9R0.5 CCCCCN(C)CCO Q66064 [1,1,0,0,0,0|1,1,0]=4 55 B9R0.18 CCCCC(N)CCCC M15282 [1,1,0,0,0,0|1,0,0]=3 56 B11R0.4 CCCCCCCN(C)CCO Q66065 [0,2,0,0,0,0|1,1,0]=4 57 B11R0.3 NCCCCCCCCCCO P39512 [0,2,0,0,0,0|1,1,0]=4 58 B11R0.3 [N-]=[N+]=NCCCCCCCCN P35661 [0,2,0,0,0,0|2,0,0]=4 59 B11R0.3 [N-]=[N+]=NCCCCCCCCN P41404 [0,2,0,0,0,0|2,0,0]=4 60 B11R0.3 [N-]=[N+]=NCCCCCCCCO P37318 [0,2,0,0,0,0|1,1,0]=4 61 B9R1.8 BrCCC1CCCCC1 P40749 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.8 BrCCC1CCOCC1 P37969 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.8 CCCC1CCCNC1 Q59858 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.8 CCCC1CCNCC1 M22635 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.8 CNCC1CCCCC1 P39298 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.8 CNCC1CCCCC1 Q59474 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.8 COCC1CCCCN1 O28609 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.8 COCC1CCCCN1 Q60043 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.8 ClCCC1CCOCC1 Q57792 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.8 FCCC1CCCNC1 Q57445 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.8 FCCC1CCNCC1 Q57446 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.8 FCCC1CCNCC1 Q57447 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.8 ICCC1CCOCC1 O29698 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.8 N#CCC1CCCCC1 P38061 [1,0,0,1,0,0|1,0,1]=4 76 B9R1.8 NCCC1CCCCC1 P34723 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.8 NCCC1CCCCO1 P38225 [1,0,0,1,0,0|1,1,0]=4 78 B9R1.8 NCCC1CCCOC1 S72503 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.8 NCCC1CCOCC1 G-5344 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.8 NCCC1CCSCC1 Q56858 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.8 NNCC1CCCCC1 P44365 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.8 O=CCC1CCCCC1 P34717 [1,0,0,1,0,0|0,1,1]=4 83 B9R1.8 OCCC1CCCCC1 P44676 [1,0,0,1,0,0|0,1,0]=3 84 B9R1.8 OCCC1CCCCO1 P38380 [1,0,0,1,0,0|0,2,0]=4 85 B9R1.8 OCCC1CCCNC1 P36369 [1,0,0,1,0,0|1,1,0]=4 86 B9R1.8 OCCC1CCNCC1 P45391 [1,0,0,1,0,0|1,1,0]=4 87 B9R1.8 OCCC1CCOCC1 C-3414 [1,0,0,1,0,0|1,1,0]=4 88 B9R1.8 OCCC1CCSCC1 Q56857 [1,0,0,1,0,0|1,1,0]=4 89 B9R1.8 OCC[C@@H]1CCCCN1 O33566 [1,0,0,1,0,0|1,1,0]=4 90 B9R1.8 OCC[C@@H]1CCCCO1 Q53045 [1,0,0,1,0,0|0,2,0]=4 91 B9R1.12 BrCCCC1CCCC1 P38703 [1,0,0,1,0,0|1,0,0]=3 92 B9R1.12 CNCCC1CCCC1 P35273 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.12 CNCCC1CCCC1 P35770 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.12 COCCC1CCCN1 G-7743 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.12 ClCCCN1CCCC1 G-7779 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.12 ICCCC1CCCC1 P42787 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.12 NCCCC1CCCC1 O33622 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.12 NCCCC1CCCC1 P37126 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.12 OCCCC1CCCC1 P36172 [1,0,0,1,0,0|0,1,0]=3 100 B9R1.12 OCCC[C@@H]1CCCN1 Q57415 [1,0,0,1,0,0|1,1,0]=4 101 B9R1.14 CCN1CCCC1CN I-9237 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.14 CC[C@H]1CNC[C@@H]1CO P50823 [1,0,0,1,0,0|1,1,0]=4 103 B9R1.14 CC[C@H]1CNC[C@@H]1CO Q61583 [1,0,0,1,0,0|1,1,0]=4 104 B9R1.15 CC1CCCCC1NN L20777 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.15 CN1CCCCC1CN 10196 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.15 CN1CCCC[C@@H]1CN Q61370 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.15 CN1CCCC[C@H]1CN Q61369 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.15 CN[C@@H]1CCCC[C@@H]1C P45885 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.15 COC1CCCCC1N P45618 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P45281 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P48339 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.15 CO[C@@H]1CCCC[C@H]1N P45280 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.15 CO[C@@H]1CCCC[C@H]1N P48092 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.15 CO[C@H]1CCCC[C@@H]1N P47400 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.15 CO[C@H]1CCCC[C@H]1N P45253 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.15 NC[C@@H]1CCCC[C@H]1O P45462 [1,0,0,1,0,0|1,1,0]=4 117 B9R1.15 NC[C@H]1CCCC[C@H]1N Q59475 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.15 N[C@@H]1CCCC[C@H]1CO P44649 [1,0,0,1,0,0|1,1,0]=4 119 B9R1.15 N[C@@H]1CCCC[C@H]1CO P45460 [1,0,0,1,0,0|1,1,0]=4 120 B9R1.15 N[C@H]1CCCC[C@H]1CO P46191 [1,0,0,1,0,0|1,1,0]=4 121 B9R1.17 CCCCCC1CNC1 P48481 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.17 CCCCCC1CNC1 P48482 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.17 NCCOCC1CCC1 P44970 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.17 OCCCCC1COC1 Q54774 [1,0,0,1,0,0|1,1,0]=4 125 B9R1.17 OCCCNC1CCC1 P49147 [1,0,0,1,0,0|1,1,0]=4 126 B9R1.33 CCC[C@@H]1CNC[C@@H]1O Q62155 [1,0,0,1,0,0|1,1,0]=4 127 B9R1.33 CCC[C@@H]1CNC[C@H]1O Q62154 [1,0,0,1,0,0|1,1,0]=4 128 B9R1.33 CN1CCCC1CCBr Q59209 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.33 CN1CCC[C@@H]1CCN L14303 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.33 CN1CCC[C@@H]1CCN P44362 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.33 CN1CCC[C@@H]1CCO Q54913 [1,0,0,1,0,0|1,1,0]=4 132 B9R1.33 CN1CCC[C@H]1CCN L14623 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.33 CN1CCC[C@H]1CCN Q52448 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.33 CN1CCC[C@H]1CCO Q54914 [1,0,0,1,0,0|1,1,0]=4 135 B9R1.33 NC1CCCC1CCO L19791 [1,0,0,1,0,0|1,1,0]=4 136 B9R1.89 OCC1CCCCNC1 I-9580 [1,0,0,1,0,0|1,1,0]=4 137 B11R1.4 NCCCCCN1CCCC1 P36467 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.4 NCCCCCN1CCCC1 Q61772 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.91 CC(C)CCC1CCCCN1 Q59855 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.28 BrCCCCC1CCOCC1 Q61434 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.28 BrCCOCC1CCCCO1 Q57614 [0,1,0,1,0,0|1,1,0]=4 142 B11R1.28 CCCCNC1CCCSC1 Q57936 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.28 CNCCCC1CCCCC1 P37923 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.28 CNCCCC1CCCCC1 P40072 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.28 NCCCCN1CCCCC1 P36333 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.28 OCCCNC1CCCSC1 Q57947 [0,1,0,1,0,0|1,1,0]=4 147 B11R1.40 NC(CO)CC1CCCCC1 P43163 [0,1,0,1,0,0|1,1,0]=4 148 B11R1.40 NC(CO)CC1CCCCC1 P49922 [0,1,0,1,0,0|1,1,0]=4 149 B11R1.40 N[C@@H](CO)CC1CCCCC1 P39924 [0,1,0,1,0,0|1,1,0]=4 150 B11R1.40 N[C@H](CO)CC1CCCCC1 P34720 [0,1,0,1,0,0|1,1,0]=4 151 B11R1.410 NCC1(O)CCCCCCC1 P39251 [0,1,0,1,0,0|2,0,0]=4 152 B11R2.20 [C@@H]12CCCN[C@@H]1CCCN2 I-9792 [0,0,0,2,0,0|2,0,0]=4 153 B11R2.20 [C@H]12CCCN[C@H]1CCCN2 L22271 [0,0,0,2,0,0|2,0,0]=4 154 B11R2.47 NC1CC2CCC1CC2F P46025 [0,0,0,2,0,0|2,0,0]=4 155 B11R2.106 NC1CCCC2OCCC12 Q59461 [0,0,0,2,0,0|1,1,0]=4 156 B11R2.248 NCCC1CC2CCC1C2 P44890 [0,0,0,2,0,0|2,0,0]=4 157 B11R2.248 NCCC1CC2CCC1C2 P44891 [0,0,0,2,0,0|2,0,0]=4 158 B11R2.248 OCCC1CC2CCC1C2 P45299 [0,0,0,2,0,0|1,1,0]=4 159 B11R2.44 C1CCCC2NCC2CC1 Q58525 [0,0,0,2,0,0|2,0,0]=4 160 B11R2.1 OC1CCC2NCCCC12 Q61375 [0,0,0,2,0,0|1,1,0]=4 161 B11R2.12 NC1CCC12CCCCC2 Q55999 [0,0,0,2,0,0|2,0,0]=4 162 B11R2.12 OC1CCC12CCCCC2 P45421 [0,0,0,2,0,0|1,1,0]=4 163 B11R2.164 NCC1CC2CCC1CC2 F-4875 [0,0,0,2,0,0|2,0,0]=4 164 B11R2.1261 C1CCC2(CC1)CCCN2 Q54145 [0,0,0,2,0,0|2,0,0]=4 165 B11R2.3 NC1CCCC12CCCO2 Q52771 [0,0,0,2,0,0|1,1,0]=4