0 B10R1.17 BrCCCC1CCCCC1 S345016 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.17 CCCCN1CCOCC1 S551961 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 CCCNC1CCCCC1 CDS008806 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 CNCCN1CCOCC1 CDS008441 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 Cl/C=C/CN1CCOCC1 PH007231 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 ClCCCC1CCCCC1 R426857 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 N#CCCN1CCCCC1 PH016680 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 NOCCN1CCOCC1 T160970 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 OCCCC1CCCCN1 CBR01786 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.17 OCCCC1CCCNC1 CBR00005 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.17 OCCNC1CCCCC1 T308269 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 [C-]#[N+]CCN1CCCCC1 PH015020 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.8 C#CCN1CCNCC1 CDS011390 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 CCOC1CCCCO1 S359033 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 CCOC1CCNCC1 CBR01194 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 CNCC1CCOCC1 CDS009689 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 ClCCN1CCCCC1 PH010519 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 N#CCN1CCCCC1 S409871 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 N#CCN1CCOCC1 S353647 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 NCCC1CCOCC1 CDS006180 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 OCCC1CCCCO1 T177393 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 SCCN1CCOCC1 CDS010625 [1,0,0,0,0,0|0,1,0]=2 24 B11R1.1 CC1CCN(CC1)CCCN CDS001621 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.1 CCCCN1CCC(CC1)C S647756 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.1 CN1CCN(CC1)CCCCl CDS014533 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.1 CN1CCN(CC1)CCCO ANV00016 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.1 CN1CCN(CC1)CCCO CDS004562 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.1 NCCCN1CCC(CC1)O CBR01360 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.16 CCCC(C)N1CCNCC1 CDS004840 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.16 CCNC(=S)N1CCOCC1 TMT00068 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.16 CN(CCO)C1CCNCC1 CBR00659 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.16 N#CCC(=O)N1CCOCC1 S429880 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.16 NC(CCO)C1CCCCC1 BBO000388 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.16 NC(CCO)C1CCCCC1 BBO000750 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.16 O=C(CCCl)N1CCSCC1 R305197 [0,1,0,0,0,0|2,1,0]=4 37 B11R1.17 CC1CCCCN1CCCO S353426 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.28 CCCCCN1CCNCC1 CDS004779 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.28 CCNCCN1CCCCC1 CBR02321 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.28 CCNCCN1CCOCC1 CBR01294 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.28 CNCCCN1CCOCC1 CBR02299 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.28 N#CCCCN1CCCCC1 S354856 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.28 N#CCCCN1CCOCC1 S353663 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.28 NCCCCN1CCCCC1 PH002408 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.28 NCCOCC1CCCCC1 CDS020939 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.28 NNCCCN1CCOCC1 PH019516 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.28 OCCCCN1CCNCC1 CBR00630 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.28 OCCCCN1CCNCC1 PH019353 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.28 [C-]#[N+]CCCN1CCOCC1 PH015485 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.28 [N-]=[N+]=NCCN1CCOCC1 CDS005526 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.40 CC(CCl)CN1CCCCC1 PH014097 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.40 CC(CN)CN1CCCCC1 PH010487 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.40 CC(CN)CN1CCOCC1 OTV000606 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.40 CCC(N)CN1CCCCC1 CDS001860 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.40 OCC(O)CN1CCNCC1 PH015129 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.91 CC(N)CCN1CCOCC1 CBR01728 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.91 CC(O)CNC1CCCCC1 PH010876 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.91 CC(O)CNC1CCCCC1 S509108 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.91 NC(=S)CCN1CCOCC1 OTV000115 [0,1,0,0,0,0|1,1,1]=4 60 B11R1.91 O=C(O)CCN1CCOCC1 L481122 [0,1,0,0,0,0|1,0,1]=3 61 B9R0.40 CCN(CCO)CCCN PH009963 [0,0,1,0,0,0|2,0,0]=3 62 B9R0.45 CCC#CCCOCCO S722189 [0,0,1,0,0,0|2,0,1]=4 63 B9R0.45 CCCCCCSCCO S362344 [0,0,1,0,0,0|2,1,0]=4 64 B9R0.45 CCCCCNCCCC OTV000733 [0,0,1,0,0,0|3,0,0]=4 65 B11R2.20 C1CCC2OCCNC2C1 CDS019792 [0,0,0,1,0,0|3,0,0]=4 66 B11R2.20 C1CCN2CCNCC2C1 T165344 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.238 C1CN(CCO1)CC2CO2 CDS003115 [0,0,0,1,0,0|1,0,0]=2 68 B11R2.239 C1CC(C1)N2CCNCC2 CDS022254 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.12 C=CCCN1CCCC1 S342858 [0,0,0,0,1,0|2,0,1]=4 70 B9R1.12 CCCNC1CCCC1 CBR00869 [0,0,0,0,1,0|3,0,0]=4 71 B9R1.12 NCCCC1CCCC1 CBR01730 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.12 NCCCC1CCOC1 T325317 [0,0,0,0,1,0|3,0,0]=4 73 B9R1.12 NCCCN1CCCC1 CDS003189 [0,0,0,0,1,0|2,0,0]=3 74 B9R1.12 NNCCN1CCCC1 PH017235 [0,0,0,0,1,0|3,0,0]=4 75 B11R1.203 NCCCN1CCCCCC1 PH005125 [0,0,0,0,0,1|3,0,0]=4 76 B11R1.203 OCCCN1CCCCCC1 CBR00469 [0,0,0,0,0,1|2,0,0]=3 77 B8R0.1 CCCCN(C)CCN PH014575 [1,0,1,0,0,0|2,0,0]=4 78 B8R0.1 CCCCN(C)CCO PH017931 [1,0,1,0,0,0|1,0,0]=3 79 B8R0.1 CCOC(=O)CCOC CDS025273 [1,0,1,0,0,0|2,0,0]=4 80 B8R0.4 CCCCCSCCO S357928 [1,0,1,0,0,0|1,1,0]=4 81 B8R0.4 CCCCNCCCC S367869 [1,0,1,0,0,0|2,0,0]=4 82 B8R0.4 CCCCNCCCC S503894 [1,0,1,0,0,0|2,0,0]=4 83 B8R0.4 CCCCNCCCC S566152 [1,0,1,0,0,0|2,0,0]=4 84 B8R0.4 CCNCCCCCO PH007898 [1,0,1,0,0,0|2,0,0]=4 85 B8R0.4 COCCCNCCO OTV000453 [1,0,1,0,0,0|2,0,0]=4 86 B8R0.4 OCCCNCCCO PH010217 [1,0,1,0,0,0|2,0,0]=4 87 B8R0.22 C(=O)N(CCO)CCO S617296 [1,0,1,0,0,0|1,0,1]=4 88 B8R1.2 BrCC1CCOCC1 CDS013754 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.2 CNC1CCOCC1 CDS001741 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 NCC1CCOCC1 CDS003651 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.2 SCN1CCCCC1 S302953 [2,0,0,0,0,0|1,1,0]=4 92 B8R1.2 SCN1CCOCC1 S276588 [2,0,0,0,0,0|0,1,0]=3 93 B10R0.90 NCCCN(CCO)CCO PH010627 [0,1,1,0,0,0|2,0,0]=4 94 B10R0.71 CCOCCNCCOCC CDS000629 [0,1,1,0,0,0|2,0,0]=4 95 B10R1.1 CCCN1CCC(CC1)C S647748 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.1 CCCN1CCC(CC1)N CDS003686 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.1 CCCN1CCC(CC1)O CDS023463 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.1 CCOC1CCC(=O)CC1 MNO000113 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.1 CN1CCN(CC1)CCBr CDS019712 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.1 CN1CCN(CC1)CCCl PH019103 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.1 CN1CCN(CC1)CCN CDS003000 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.1 NCCN1CCC(CC1)O CDS002685 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.4 CC1CCCCN1CCN PH015207 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.15 CC(C#N)N1CCOCC1 PH010088 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.15 CC(CN)N1CCCCC1 CDS009813 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.15 CC(CO)C1CCCCC1 PH015232 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.15 CCC(=O)N1CCNCC1 CDS004028 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.15 CNC(=S)N1CCOCC1 TMT00165 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.18 CC(=CN1CCOCC1)C S353698 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [1,1,0,0,0,0|0,0,2]=4 111 B10R1.18 CC(C)CN1CCOCC1 S518409 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.18 CC(N)CN1CCOCC1 CBR00001 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.18 CC(O)CN1CCCCC1 S418854 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.18 CC(O)CN1CCOCC1 S362727 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.18 NC(=S)CN1CCOCC1 OTV000700 [1,1,0,0,0,0|0,1,1]=4 116 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.18 O=C(O)CN1CCCCC1 L481130 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [1,1,0,0,0,0|0,0,1]=3 120 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [1,1,0,0,0,0|0,0,1]=3 121 B10R1.21 CCNCCN1CCCC1 CBR00390 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.21 NCCCCN1CCCC1 PH010578 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.21 NCCCOC1CCCC1 CBR01499 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.27 OCC(O)CN1CCCC1 R260398 [0,1,0,0,1,0|1,0,0]=3 125 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [0,1,0,0,1,0|1,0,1]=4 126 B12R1.1 CN1CCN(CC1)CCCCO CBR01183 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.34 CCC(Br)C(=O)N1CCOCC1 PH018210 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.107 O=C(O)CC(=O)N1CCOCC1 CBR01800 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.1631 CC1CCCC(N1CCCO)C PH010242 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.8 CNCCCCN1CCOCC1 PH014364 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.8 COCCOCC1CCNCC1 PH014362 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.8 N#CCCCCN1CCOCC1 S431281 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.8 NCCCCCN1CCOCC1 CBR00637 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.32 COCC(O)CN1CCCCC1 PH013634 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.32 COCC(O)CN1CCOCC1 PH013636 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.252 O=C(O)CCCN1CCCCC1 PH017094 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.252 O=C(O)CCCN1CCOCC1 CDS019660 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.194 CC(C)(CO)CN1CCOCC1 PH012152 [0,2,0,0,0,0|1,0,0]=3 139 B10R1.162 CN1CCNCC(C1)CO PH019191 [0,0,1,1,0,0|2,0,0]=4 140 B10R1.85 OCCN1CCCCCC1 S362328 [0,0,1,1,0,0|2,0,0]=4 141 B10R2.62 OC1CC2CCC1CC2 PH008493 [1,0,0,1,0,0|2,0,0]=4 142 B10R2.32 [C@@H]12CCC[C@@H]1[C@@H](CC2)O T262935 [0,0,0,1,1,0|2,0,0]=4 143 B10R2.32 [C@H]12CCC[C@H]1[C@H](CC2)O T292788 [0,0,0,1,1,0|2,0,0]=4 144 B10R2.483 C1CC2(CN1)OCCO2 CBR00054 [0,0,0,1,1,0|2,0,0]=4 145 B10R2.483 C1CCC2(C1)OCCO2 S947520 [0,0,0,1,1,0|1,0,0]=3 146 B12R2.4328 C1CCCC2(CC1)OCCO2 T168904 [0,0,0,1,0,1|2,0,0]=4 147 B12R2.2 C1CC(CN1)N2CCOCC2 MNO000208 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.7 BrC1CCCCC12OCCO2 S514381 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.7 NC1COCCC12OCCO2 PHB00055 [0,1,0,1,0,0|1,0,0]=3 150 B12R2.2918 CC1COC2(O1)CCCCC2 S363685 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.2918 OC1COC2(C1)CCNCC2 CBR01825 [0,1,0,1,0,0|2,0,0]=4 152 B12R3.1614 C1CN2CCC1C3(C2)CO3 PH018268 [0,0,0,2,0,0|2,0,0]=4 153 B8R1.8 CCNC1CCCC1 CBR00868 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.8 CCOC1CCNC1 CDS023169 [1,0,0,0,1,0|2,0,0]=4 155 B8R1.8 ClCCN1CCCC1 CDS008148 [1,0,0,0,1,0|1,0,0]=3 156 B8R1.8 NCCC1CCCC1 CDS008185 [1,0,0,0,1,0|2,0,0]=4 157 B8R1.8 NCCC1CCCC1 T175072 [1,0,0,0,1,0|2,0,0]=4 158 B8R1.8 OCCN1CCOC1 PH015317 [1,0,0,0,1,0|0,0,0]=2