0 B10R0.71 CCCCCCCCNC=O D91867 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.71 CCCCCCC\C=C\C=O A11384 [0,0,0,0,0,0|0,0,2]=2 2 B10R0.71 CCCCC\C=C\C=C\C=O AC8162 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.71 CCCCC\C=C\CCCO D90033 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.45 CCCCCC\C=C/CO D91736 [1,0,0,0,0,0|0,0,3]=4 5 B9R0.45 CCCCCC\C=C\C=O D91718 [1,0,0,0,0,0|0,0,1]=2 6 B9R0.45 CCCC\C=C\C=C\C=O D91726 [1,0,0,0,0,0|0,0,0]=1 7 B9R0.45 CC\C=C/CC\C=C\C=O D95362 [1,0,0,0,0,0|0,0,3]=4 8 B11R0.3 CCCCCCCC\C=C\C=O A11393 [0,1,0,0,0,0|0,0,2]=3 9 B11R0.4 CC=CC(=O)OCCCCCC D95666 [0,1,0,0,0,0|2,0,1]=4 10 B11R0.40 CCCCCC\C=C\C(=O)OC D70493 [0,1,0,0,0,0|2,0,1]=4 11 B11R0.148 CCCCC\C=C\CCC(=O)O D90291 [0,1,0,0,0,0|0,0,2]=3 12 B11R1.4 CCCCCCC1=CC=CS1 35351 [0,0,0,1,0,0|0,1,1]=3 13 B11R1.4 CCCCCCC1=CSC=C1 28481 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.17 CCCCC1=C(N)C=CC=C1 D88855 [0,0,0,1,0,0|1,0,1]=3 15 B11R1.17 CCCOC1=C(N)C=CC=C1 31375 [0,0,0,1,0,0|2,0,1]=4 16 B11R1.17 CCCOC1=C(O)C=CC=C1 D95014 [0,0,0,1,0,0|1,0,2]=4 17 B11R1.17 CNCCC1=C(F)C=CC=C1 30544 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.17 OCCCC1=C(Br)C=CC=C1 AB3204 [0,0,0,1,0,0|2,0,1]=4 19 B11R1.18 N#CCCN1C=CC=C1C=O D86475 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.28 BrCCCCC1=CC=CC=C1 70737 [0,0,0,1,0,0|2,0,0]=3 21 B11R1.28 BrCCCOC1=CC=CC=C1 73704 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.28 BrCCOCC1=CC=CC=C1 29418 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.28 CCCC#CC1=CC=CC=C1 D97343 [0,0,0,1,0,0|1,0,2]=4 24 B11R1.28 CCCCCC1=CC=CC=C1 D88261 [0,0,0,1,0,0|1,0,0]=2 25 B11R1.28 CCCCOC1=NC=CC=C1 D88876 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.28 CCCNCC1=CC=CC=C1 C78030 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.28 CCNCCC1=CC=CC=C1 F20148 [0,0,0,1,0,0|2,0,0]=3 28 B11R1.28 CNCCCC1=CC=CC=C1 AR1442 [0,0,0,1,0,0|2,0,0]=3 29 B11R1.28 COCCNC1=NC=CC=C1 D94270 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.28 COCCSC1=CC=CC=C1 W18561 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.28 ClCCCCC1=CC=CC=C1 D92122 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.28 ClCCCCC1=CC=NC=C1 56205 [0,0,0,1,0,0|3,0,0]=4 33 B11R1.28 ClCCNCC1=CC=CC=C1 AB2649 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.28 NCCCCC1=CC=CC=C1 D88381 [0,0,0,1,0,0|2,0,0]=3 35 B11R1.28 NCCNCC1=CC=CC=C1 20546 [0,0,0,1,0,0|3,0,0]=4 36 B11R1.28 NCCOCC1=CC=CC=C1 CL4561 [0,0,0,1,0,0|3,0,0]=4 37 B11R1.28 NCCOCC1=CC=CC=C1 CL4570 [0,0,0,1,0,0|3,0,0]=4 38 B11R1.28 O=CCCCC1=CC=CC=C1 D71263 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.28 OCCCCC1=CC=CC=C1 70774 [0,0,0,1,0,0|2,0,0]=3 40 B11R1.28 OCCCCC1=CC=NC=C1 30651 [0,0,0,1,0,0|3,0,0]=4 41 B11R1.28 OCCCCC1=CN=CC=C1 32381 [0,0,0,1,0,0|3,0,0]=4 42 B11R1.28 OCCCNC1=CC=CC=C1 D88515 [0,0,0,1,0,0|3,0,0]=4 43 B11R1.28 OCCCOC1=CC=CC=C1 A50719 [0,0,0,1,0,0|3,0,0]=4 44 B11R1.28 OCCNCC1=CC=CC=C1 AC7917 [0,0,0,1,0,0|3,0,0]=4 45 B11R1.28 OCCOCC1=CC=CC=C1 P17494 [0,0,0,1,0,0|3,0,0]=4 46 B11R1.41 CCOC1=C(C=O)C=CC=C1 L10017 [0,0,0,1,0,0|1,0,2]=4 47 B11R1.41 O=CC1=C(CCBr)C=CC=C1 61408 [0,0,0,1,0,0|1,0,2]=4 48 B8R0.4 CCCCC\C=C\C=O D91827 [2,0,0,0,0,0|0,0,0]=2 49 B8R0.4 CCCCC\C=C\CO D91843 [2,0,0,0,0,0|0,0,2]=4 50 B8R0.4 CCC\C=C\C=C\C=O D71091 [2,0,0,0,0,0|0,0,0]=2 51 B10R0.91 C=CCOC(=O)CCCCC A50641 [1,1,0,0,0,0|1,0,1]=4 52 B12R0.234 CCCCCCCC\C=C\C(=O)O 22839 [0,2,0,0,0,0|0,0,2]=4 53 B10R1.4 CCCC1=C(N)C=CC=C1 65648 [1,0,0,1,0,0|1,0,1]=4 54 B10R1.4 O=C1C=CC=CN1CCBr AT19230 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.4 O=C1C=CC=CN1CCO AT19225 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.17 BrCCCC1=CC=CC=C1 D78162 [1,0,0,1,0,0|1,0,1]=4 57 B10R1.17 CCCCC1=CC=CC=C1 H11923 [1,0,0,1,0,0|0,0,1]=3 58 B10R1.17 CCCCC1=CC=CN=C1 F20500 [1,0,0,1,0,0|1,0,1]=4 59 B10R1.17 CCCC[N+]1=CC=CC=C1 C93409 [1,0,0,1,0,0|1,0,0]=3 60 B10R1.17 CCCC[N+]1=CC=CC=C1 C93435 [1,0,0,1,0,0|1,0,0]=3 61 B10R1.17 CCCC[N+]1=CC=CC=C1 C93442 [1,0,0,1,0,0|1,0,0]=3 62 B10R1.17 CCCC[N+]1=CC=CC=C1 C93518 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.17 CCCNC1=CC=CC=C1 D91987 [1,0,0,1,0,0|1,0,1]=4 64 B10R1.17 CCNCC1=NC=CC=C1 29981 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.17 CCOCC1=CC=CC=C1 F30115 [1,0,0,1,0,0|1,0,1]=4 66 B10R1.17 CNCCC1=CC=CC=C1 AR1058 [1,0,0,1,0,0|1,0,1]=4 67 B10R1.17 CNCCC1=NC=CC=C1 23018 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.17 CNCCC1=NC=CC=C1 AR1013 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.17 CNCCC1=NC=CC=C1 D87714 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.17 ClCCCC1=CC=CC=C1 S12344 [1,0,0,1,0,0|1,0,1]=4 71 B10R1.17 NCCCC1=CC=CC=C1 S10208 [1,0,0,1,0,0|1,0,1]=4 72 B10R1.17 NCCCC1=NC=CC=C1 70884 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.17 OCCCC1=CC=CC=C1 AC1807 [1,0,0,1,0,0|1,0,1]=4 74 B10R1.17 OCCCC1=NC=CC=C1 31622 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.17 OCCCC1=NC=CC=C1 38162 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.20 CCC1=C(C=O)C=CC=C1 67799 [1,0,0,1,0,0|0,0,2]=4 77 B10R1.21 CCCCCC1=CC=CO1 H11330 [1,0,0,1,0,0|0,0,1]=3 78 B10R1.21 CCCCCC1=CC=CS1 F15453 [1,0,0,1,0,0|0,1,0]=3 79 B10R1.29 CCCCC1=C(Br)SC=C1 F14972 [1,0,0,1,0,0|2,0,0]=4 80 B12R1.8 BrCCCCCC1=CC=CC=C1 S10028 [0,1,0,1,0,0|1,0,0]=3 81 B12R1.8 BrCCCCOC1=CC=CC=C1 C11349 [0,1,0,1,0,0|2,0,0]=4 82 B12R1.8 BrCCCOCC1=CC=CC=C1 33009 [0,1,0,1,0,0|2,0,0]=4 83 B12R1.8 CCCCC#CC1=CC=CC=C1 D71011 [0,1,0,1,0,0|1,0,1]=4 84 B12R1.8 CCCCCCC1=CC=CC=C1 65014 [0,1,0,1,0,0|1,0,0]=3 85 B12R1.8 CCCCCCC1=NC=CC=C1 D83986 [0,1,0,1,0,0|1,0,0]=3 86 B12R1.8 CCCCCC[N+]1=CC=CC=C1 D94652 [0,1,0,1,0,0|1,0,1]=4 87 B12R1.8 CCCCNCC1=CC=CC=C1 D88887 [0,1,0,1,0,0|1,0,0]=3 88 B12R1.8 CNCCCCC1=CC=CC=C1 AR1724 [0,1,0,1,0,0|1,0,0]=3 89 B12R1.8 CNCCNCC1=CC=CC=C1 AB2659 [0,1,0,1,0,0|2,0,0]=4 90 B12R1.8 ClCCCCOC1=CC=CC=C1 D85909 [0,1,0,1,0,0|2,0,0]=4 91 B12R1.8 NCCCNCC1=CC=CC=C1 23518 [0,1,0,1,0,0|2,0,0]=4 92 B12R1.8 OCCCCCC1=CC=CC=C1 D92109 [0,1,0,1,0,0|1,0,0]=3 93 B12R1.8 OCCCNCC1=CC=CC=C1 29589 [0,1,0,1,0,0|2,0,0]=4 94 B12R1.8 OCCCNCC1=CC=CC=C1 W11523 [0,1,0,1,0,0|2,0,0]=4 95 B12R1.8 OCCCOCC1=CC=CC=C1 29440 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.121 CCCOC1=C(C=O)C=CC=C1 76945 [0,1,0,1,0,0|0,0,2]=4 97 B12R1.121 CCCOC1=C(C=O)C=CC=N1 76902 [0,1,0,1,0,0|1,0,1]=4 98 B12R1.372 CCCCCCC1=C(Br)SC=C1 FD14057 [0,1,0,1,0,0|1,0,1]=4 99 B12R1.28 CCCCOC1=CC(O)=CC=C1 D83059 [0,1,0,1,0,0|1,0,1]=4 100 B12R1.32 CCCC(=O)CC1=CC=CC=C1 F19922 [0,1,0,1,0,0|1,0,1]=4 101 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 74014 [0,1,0,1,0,0|0,0,2]=4 102 B12R1.1 BrCCCCC1=CC=C(Br)C=C1 D80497 [0,1,0,1,0,0|2,0,0]=4 103 B12R1.1 CCCCCC1=CC=C(Br)C=C1 28615 [0,1,0,1,0,0|1,0,0]=3 104 B12R1.1 CCCCCC1=CC=C(N)C=C1 D88359 [0,1,0,1,0,0|1,0,0]=3 105 B12R1.1 CCCCCC1=CC=C(O)C=C1 27300 [0,1,0,1,0,0|1,0,0]=3 106 B12R1.1 CCCCOC1=CC=C(N)C=C1 D70221 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.1 CCCCOC1=CC=C(O)C=C1 D70503 [0,1,0,1,0,0|2,0,0]=4 108 B12R1.7 CCCCCCC1=CC=C(Br)S1 F15481 [0,1,0,1,0,0|0,1,1]=4 109 B12R1.30 CCCCC(=O)C1=CC=CC=C1 AC8072 [0,1,0,1,0,0|1,0,1]=4 110 B12R1.30 CCCCN(N)C1=CC=CC=C1 D88913 [0,1,0,1,0,0|2,0,0]=4 111 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 F17750 [0,1,0,1,0,0|2,0,0]=4 112 B12R1.567 CCCCCC1=C(C)CCC1=O D89856 [0,1,0,1,0,0|0,0,2]=4 113 B12R1.35 CCOCCC(=O)C1=CC=CS1 D94415 [0,1,0,1,0,0|1,1,0]=4 114 B12R1.252 CC(C)CNCC1=CC=CC=C1 71268 [0,1,0,1,0,0|2,0,0]=4 115 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11414 [0,1,0,1,0,0|2,0,0]=4 116 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11416 [0,1,0,1,0,0|2,0,0]=4 117 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 C72530 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.2 C1=CC=C(N2CCCC2)C=C1 D70827 [0,0,0,2,0,0|2,0,0]=4 119 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23433 [0,0,0,2,0,0|2,0,0]=4 120 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59897 [0,0,0,2,0,0|2,0,0]=4 121 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AR1028 [0,0,0,2,0,0|2,0,0]=4 122 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 65218 [0,0,0,2,0,0|2,0,0]=4 123 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69527 [0,0,0,2,0,0|2,0,0]=4 124 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69530 [0,0,0,2,0,0|2,0,0]=4 125 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 AR1445 [0,0,0,2,0,0|2,0,0]=4 126 B12R2.41 C1=CC2=C(C=C1)CCNCC2 35932 [0,0,0,2,0,0|2,0,0]=4 127 B12R2.41 C1=CC2=C(C=C1)CNCCC2 26520 [0,0,0,2,0,0|2,0,0]=4 128 B12R2.41 C1=CC2=C(C=C1)NCCCC2 28041 [0,0,0,2,0,0|1,0,1]=4 129 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 AC1627 [0,0,0,2,0,0|1,0,1]=4 130 B12R2.1081 BrC1=C2CCCCC2=CC=C1 N12384 [0,0,0,2,0,0|1,0,1]=4 131 B12R2.1081 CN1CCCC2=C1C=CC=C2 F13268 [0,0,0,2,0,0|2,0,0]=4 132 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24493 [0,0,0,2,0,0|2,0,0]=4 133 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24577 [0,0,0,2,0,0|2,0,0]=4 134 B12R2.1081 NC1=C2CCCCC2=CC=C1 50818 [0,0,0,2,0,0|1,0,1]=4 135 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52172 [0,0,0,2,0,0|2,0,0]=4 136 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52173 [0,0,0,2,0,0|2,0,0]=4 137 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F13060 [0,0,0,2,0,0|2,0,0]=4 138 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F16883 [0,0,0,2,0,0|2,0,0]=4 139 B12R2.1081 O=C1CCCC2=C1C=CC=C2 P16483 [0,0,0,2,0,0|0,0,2]=4 140 B12R2.1081 O=C1CCCC2=C1C=CC=N2 66292 [0,0,0,2,0,0|1,0,1]=4 141 B12R2.1081 OC1=C2CCCCC2=CC=C1 N11905 [0,0,0,2,0,0|0,0,2]=4 142 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 73935 [0,0,0,2,0,0|2,0,0]=4 143 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 71094 [0,0,0,2,0,0|0,0,2]=4 144 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O 75581 [0,0,0,2,0,0|0,0,2]=4