0 B12R1.8 BrCCCOCC1=CC=CC=C1 YH06316 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.8 CCCCCCC1=CC=CC=C1 JZ4393 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.8 CCCCCCC1=CC=CN=C1 LQ3047 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.8 CCCCOCC1=CC=CC=C1 HL0050 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.8 ClCCCCOC1=CC=CC=C1 JZ2126 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.8 N#CCCNCC1=CC=CC=C1 JZ4132 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.8 O=CCCOCC1=CC=CC=C1 RT12413 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.8 OCCCOCC1=CC=CC=C1 JZ2614 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.8 S=C=NCCCC1=CC=CC=C1 JZ2090 [0,0,0,0,0,0|1,1,1]=3 9 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.28 BrCCCOC1=CC=CC=C1 HL0049 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.28 C(=N/C1=CC=CC=C1)OCC LQ3167 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 CCCC#CC1=CC=CC=C1 LQ2616 [1,0,0,0,0,0|0,0,2]=3 14 B11R1.28 CCCCCC1=CN=CC=N1 LQ3034 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.28 CCCCCC1=NC=CC=C1 LT3426 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.28 CCNCCC1=NC=CC=C1 LT5810 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.28 CNC\C=C\C1=CC=CC=C1 RT2865 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.28 ClCCCCC1=CC=NC=C1 YH65475 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.28 ClCCCSC1=CC=CC=C1 XJ2786 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.28 O=C=NCCC1=CC=CC=C1 JZ1800 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.28 OCCCCC1=CC=NC=C1 YH65835 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.28 OCCCNC1=CC=CC=C1 LT5756 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.28 OCCCOC1=CC=CC=C1 XJ3053 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.28 S=C=NCCC1=CC=CC=C1 HL2155 [1,0,0,0,0,0|1,1,1]=4 38 B13R1.9 CCCCCCC1=CC=C(O)C=C1 LT3079 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 JZ4330 [0,1,0,0,0,0|1,0,1]=3 40 B13R1.24 CNCCCC(O)C1=CC=CN=C1 RT17994 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.28 CCCCCCCC1=CC=CC=C1 JZ4402 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.28 ClCCCCCCC1=CC=CC=C1 RT6312 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.28 ClCCCCCCC1=CC=CC=C1 XJ6223 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.28 ClCCCCOCC1=CC=CC=C1 LT3152 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.28 NCCCCCCC1=CC=CC=C1 RT3206 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.28 OCCCCCCC1=CC=CC=C1 XJ2142 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.28 OCCCCOCC1=CC=CC=C1 HL2777 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.42 CC#CC(O)CCC1=CC=CC=C1 RT6117 [0,1,0,0,0,0|1,0,2]=4 49 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 LL0317 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 LT5401 [0,1,0,0,0,0|2,0,1]=4 51 B13R1.42 O=C(CCBr)NCC1=CC=CC=C1 YH38780 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 RT10908 [0,1,0,0,0,0|1,0,1]=3 53 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 LQ2807 [0,1,0,0,0,0|1,0,2]=4 54 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 HL2170 [0,1,0,0,0,0|0,0,1]=2 55 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 LQ3033 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 RT11907 [0,1,0,0,0,0|1,0,1]=3 57 B13R1.718 O=C(CCCC1=CC=CC=C1)O[Na] RT10772 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.718 OCC(O)COCC1=CC=CC=C1 JZ2613 [0,1,0,0,0,0|1,0,0]=2 59 B11R0.3 CCCCCC\C=C\C=C\C=O JZ3654 [0,0,1,0,0,0|2,0,0]=3 60 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 LT0483 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.3 C1=CC([C@H]2CCCCN2)=CC=N1 RT14525 [0,0,0,1,0,0|2,0,0]=3 62 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 HL0421 [0,0,0,1,0,0|1,0,1]=3 63 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 LT5014 [0,0,0,1,0,0|2,0,1]=4 64 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 YH22096 [0,0,0,1,0,0|2,0,1]=4 65 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 HL0422 [0,0,0,1,0,0|2,0,0]=3 66 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 LT0481 [0,0,0,1,0,0|2,0,0]=3 67 B13R2.3 C1=CC=C(C2CCOCO2)C=C1 HL0423 [0,0,0,1,0,0|1,0,0]=2 68 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 JZ2660 [0,0,0,1,0,0|2,0,0]=3 69 B13R2.3 C1=CC=C(C2COCCN2)C=C1 YH33694 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.3 C1=CC=C(C2SCCCS2)C=C1 LT5525 [0,0,0,1,0,0|1,1,0]=3 71 B13R2.3 C1=CC=C(N2CCCCC2)C=C1 XJ2610 [0,0,0,1,0,0|2,0,0]=3 72 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 JZ1953 [0,0,0,1,0,0|3,0,0]=4 73 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 LX3300 [0,0,0,1,0,0|3,0,0]=4 74 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 RT2484 [0,0,0,1,0,0|3,0,0]=4 75 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 HL1189 [0,0,0,1,0,0|3,0,0]=4 76 B13R2.3 C1=CC=C([C@@H]2CCCNC2)C=C1 YH08942 [0,0,0,1,0,0|2,0,0]=3 77 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 YH66297 [0,0,0,1,0,0|1,0,0]=2 78 B13R2.3 C1=CN=C([C@H]2CCCCN2)C=C1 RT14523 [0,0,0,1,0,0|2,0,0]=3 79 B13R2.3 C1=CN=CC(C2=NCCCC2)=C1 RT9401 [0,0,0,1,0,0|2,0,1]=4 80 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 CJ3090 [0,0,0,1,0,0|2,0,0]=3 81 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 LL0891 [0,0,0,1,0,0|2,0,0]=3 82 B13R2.15 CN1CCCC1C2=CC=CN=C2 LX4002 [0,0,0,1,0,0|3,0,0]=4 83 B13R2.15 CN1CCC[C@H]1C2=CC=CN=C2 LQ0003 [0,0,0,1,0,0|3,0,0]=4 84 B13R2.15 CN1CCC[C@H]1C2=CC=CN=C2 YH66040 [0,0,0,1,0,0|3,0,0]=4 85 B13R2.15 CN1CCC[C@H]1C2=CC=CN=C2 YH66711 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.15 O=C1CCCN1C2=CC=CC=C2 LQ2710 [0,0,0,1,0,0|1,0,2]=4 87 B13R2.15 [C@@H]1(C2=CC=CN=C2)CCCN1C CJ3290 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 YH09263 [0,0,0,1,0,0|2,0,1]=4 89 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 YH66316 [0,0,0,1,0,0|1,0,0]=2 90 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 LT4165 [0,0,0,1,0,0|1,0,0]=2 91 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 RT12008 [0,0,0,1,0,0|1,0,0]=2 92 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 LT4935 [0,0,0,1,0,0|1,0,0]=2 93 B13R2.5252 CN1CCCNC2=CC=CC=C21 RT7769 [0,0,0,1,0,0|3,0,0]=4 94 B13R2.5252 O=C1CCCCC2=CC=CC=C12 JZ4201 [0,0,0,1,0,0|0,0,2]=3 95 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 HL0698 [0,0,0,1,0,0|1,0,2]=4 96 B10R0.71 CCCCC\C=C\C=C\C=O LQ2138 [1,0,1,0,0,0|1,0,0]=3 97 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [2,0,0,0,0,0|0,0,2]=4 100 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [2,0,0,0,0,0|0,0,2]=4 101 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [2,0,0,0,0,0|0,0,2]=4 102 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [2,0,0,0,0,0|1,0,0]=3 104 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [2,0,0,0,0,0|1,0,0]=3 106 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.17 COCCC1=NC=CC=C1 LT3761 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [2,0,0,0,0,0|0,0,2]=4 117 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [2,0,0,0,0,0|1,0,0]=3 120 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [2,0,0,0,0,0|1,0,0]=3 122 B12R1.1 CCCCCC1=CC=C(Br)C=C1 LT0070 [1,1,0,0,0,0|0,0,0]=2 123 B12R1.1 CCCCCC1=CC=C(O)C=C1 JZ4991 [1,1,0,0,0,0|0,0,0]=2 124 B12R1.1 CCCCOC1=CC=C(N)C=C1 JZ2480 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.1 CCCCOC1=CC=C(O)C=C1 SY0106 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.1 OCCNCC1=CC=C(F)C=C1 LX3035 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.27 CCC(=O)OCC1=CC=CC=C1 LT4168 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.27 O=C(CO)OCC1=CC=CC=C1 RT12484 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.27 OCC(O)COC1=CC=CC=C1 LT3080 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.28 CCCCCC1=CC=CC(=O)O1 RT15380 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HL0607 [1,1,0,0,0,0|0,0,1]=3 132 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HL2226 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.30 CNCCC(O)C1=CC=CC=C1 LT3055 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 HL3244 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.30 O=C(CCCO)C1=CC=CN=C1 RT9397 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.30 O=C(OCCO)C1=CC=CC=C1 RT0571 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [1,1,0,0,0,0|0,0,1]=3 138 B12R1.32 CN(CCO)CC1=CC=CC=C1 RT11841 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.252 CC(=O)OCCC1=CC=CC=C1 LL0321 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.252 O=C(O)CCCC1=CC=CC=C1 RT12403 [1,1,0,0,0,0|0,0,1]=3 143 B12R1.252 O=C(O)CCCC1=NC=CC=C1 YH65623 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.252 O=C(O)CCOC1=CC=CC=C1 LT6842 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.252 O=C(O)CNCC1=CC=CC=C1 YH18010 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.252 O=C(O)COCC1=CC=CC=C1 YH53105 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.267 CCCCCC1=C(C)C=CC=C1 YH37584 [1,1,0,0,0,0|0,0,0]=2 148 B14R1.9 CCCCCOC1=C(F)C(F)=CC=C1 HL3585 [0,2,0,0,0,0|2,0,0]=4 149 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 LQ2686 [0,2,0,0,0,0|0,0,1]=3 150 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 SY0072 [0,2,0,0,0,0|0,0,1]=3 151 B14R1.774 CCCCCCC1=CC=C(O)C=C1O LL0573 [0,2,0,0,0,0|1,0,0]=3 152 B14R1.776 C#CC1=CC=C(OCCCCC)C=C1 XJ6424 [0,2,0,0,0,0|2,0,0]=4 153 B14R1.776 COC1=CC=C(CSCCCO)C=C1 RT19798 [0,2,0,0,0,0|1,0,0]=3 154 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 RT12628 [0,2,0,0,0,0|1,0,0]=3 155 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 LT2883 [0,2,0,0,0,0|0,0,2]=4 156 B14R1.123 BrCCCCCOCC1=CC=CC=C1 RT1104 [0,2,0,0,0,0|1,0,0]=3 157 B14R1.123 ClCCCCCCCC1=CC=CC=C1 XJ6222 [0,2,0,0,0,0|1,0,0]=3 158 B14R1.123 OCCCCCCCC1=CC=CC=C1 JZ2257 [0,2,0,0,0,0|0,0,0]=2 159 B14R1.123 OCCCCCOCC1=CC=CC=C1 RT10875 [0,2,0,0,0,0|0,0,0]=2 160 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 LT4351 [0,2,0,0,0,0|1,0,1]=4 161 B14R1.158 CN(CCCC#N)CC1=CC=CC=C1 RT4842 [0,2,0,0,0,0|1,0,1]=4 162 B14R1.158 CN(CCCCN)CC1=CC=CC=C1 RT3302 [0,2,0,0,0,0|1,0,0]=3 163 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 JZ2782 [0,2,0,0,0,0|0,0,0]=2 164 B14R1.422 O=C(O)CCC\C=C\C1=CC=CC=C1 RT6086 [0,2,0,0,0,0|0,0,2]=4 165 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 LL0326 [0,2,0,0,0,0|1,0,1]=4 166 B14R1.520 C\C(=C\CO)COCC1=CC=CC=C1 RT1266 [0,2,0,0,0,0|0,0,2]=4 167 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 YH45184 [0,2,0,0,0,0|0,0,1]=3 168 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 RT3212 [0,2,0,0,0,0|1,0,1]=4 169 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 XJ5866 [0,2,0,0,0,0|1,0,1]=4 170 B14R1.756 N[C@H](CO)C(=O)OCC1=CC=CC=C1 LX2991 [0,2,0,0,0,0|1,0,1]=4 171 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O LQ2877 [0,2,0,0,0,0|1,0,1]=4 172 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O LQ2766 [0,2,0,0,0,0|1,0,1]=4 173 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O YH56957 [0,2,0,0,0,0|0,0,1]=3 174 B14R1.6449 O=C(O)C(O)COCC1=CC=CC=C1 YH30732 [0,2,0,0,0,0|1,0,1]=4 175 B14R1.6449 O=C(O)C(O)CSCC1=CC=CC=C1 RT12092 [0,2,0,0,0,0|1,0,1]=4 176 B14R1.6449 [C@@H](N)(CSCC1=CC=CC=C1)C(=O)O YH53209 [0,2,0,0,0,0|1,0,1]=4 177 B12R2.2 C1=CC(C2CCCN2)=CC=N1 RT7690 [1,0,0,1,0,0|2,0,0]=4 178 B12R2.2 C1=CC(N2CCCC2)=CC=N1 LX3244 [1,0,0,1,0,0|2,0,0]=4 179 B12R2.2 C1=CC=C(C2CCCN2)C=C1 HL0594 [1,0,0,1,0,0|1,0,0]=3 180 B12R2.2 C1=CC=C(C2CCCO2)C=C1 YH37915 [1,0,0,1,0,0|0,0,0]=2 181 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH65152 [1,0,0,1,0,0|1,0,0]=3 182 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH96657 [1,0,0,1,0,0|1,0,0]=3 183 B12R2.2 C1=CC=C(N2CCCC2)C=C1 XJ2611 [1,0,0,1,0,0|1,0,0]=3 184 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 YH65558 [1,0,0,1,0,0|1,0,0]=3 185 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 YH07424 [1,0,0,1,0,0|1,0,0]=3 186 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 YH89689 [1,0,0,1,0,0|1,0,0]=3 187 B12R2.2 C1=CN=C(C2CCNC2)C=C1 LT3794 [1,0,0,1,0,0|2,0,0]=4 188 B12R2.2 C1=CN=CC(C2CCCN2)=C1 XJ2984 [1,0,0,1,0,0|2,0,0]=4 189 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 RT14833 [1,0,0,1,0,0|2,0,0]=4 190 B12R2.41 C1=CC=C2CCNCCC2=C1 XJ2659 [1,0,0,1,0,0|1,0,0]=3 191 B12R2.41 C1=CC=C2NCCNCC2=C1 LQ2968 [1,0,0,1,0,0|2,0,0]=4 192 B12R2.1081 CC1CCNC2=C1C=CC=C2 JZ5356 [1,0,0,1,0,0|1,0,0]=3 193 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [1,0,0,1,0,0|1,0,0]=3 194 B12R2.1081 NC1CCNC2=CC=CC=C21 YH65897 [1,0,0,1,0,0|2,0,0]=4 195 B12R2.1081 NN1CCCC2=CC=CC=C21 LT5813 [1,0,0,1,0,0|2,0,0]=4 196 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 JZ5559 [1,0,0,1,0,0|1,0,0]=3 197 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 XJ5138 [1,0,0,1,0,0|1,0,0]=3 198 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 JZ5560 [1,0,0,1,0,0|1,0,0]=3 199 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 YH57498 [1,0,0,1,0,0|2,0,0]=4 200 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [1,0,0,1,0,0|0,0,2]=4 201 B12R2.1081 OC1CCCC2=C1C=CC=N2 YH65731 [1,0,0,1,0,0|1,0,0]=3 202 B12R2.1081 OC1CCCC2=CC=CN=C21 YH35264 [1,0,0,1,0,0|1,0,0]=3 203 B12R2.1081 OC1CCNC2=C1C=CC=C2 YH48820 [1,0,0,1,0,0|1,0,0]=3 204 B12R2.1081 OC1CNCC2=C1C=CC=C2 RT7798 [1,0,0,1,0,0|1,0,0]=3 205 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 LT4982 [1,0,0,1,0,0|1,0,0]=3 206 B12R2.2383 C1=COC(COCC2CO2)=C1 XJ2900 [0,0,0,1,1,0|2,0,0]=4 207 B14R2.21 ClC1=CC(C2CCNCC2)=CC=C1 YH98901 [0,1,0,1,0,0|2,0,0]=4 208 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 YH35521 [0,1,0,1,0,0|0,0,1]=3 209 B14R2.68 BrC1=CC=C(C2CCNCC2)C=C1 YH65907 [0,1,0,1,0,0|2,0,0]=4 210 B14R2.68 ClC1=CC=C(C2CCNCC2)C=C1 YH50879 [0,1,0,1,0,0|2,0,0]=4 211 B14R2.68 FC1=CC=C(C2CCNCC2)C=C1 YH57909 [0,1,0,1,0,0|2,0,0]=4 212 B14R2.68 FC1=CC=C(C2CCNCC2)C=C1 YH66289 [0,1,0,1,0,0|2,0,0]=4 213 B14R2.68 FC1=CC=C(C2CNCCN2)C=C1 YH66617 [0,1,0,1,0,0|2,0,0]=4 214 B14R2.68 NC1=CC=C(N2CCCCC2)C=C1 LQ2133 [0,1,0,1,0,0|2,0,0]=4 215 B14R2.68 NC1CCN(C2=CC=CC=C2)CC1 YH29396 [0,1,0,1,0,0|2,0,0]=4 216 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 XJ2777 [0,1,0,1,0,0|1,0,1]=4 217 B14R2.5637 CC1CNCCC2=CC=C(Cl)C=C21 LX2839 [0,1,0,1,0,0|2,0,0]=4 218 B14R2.5637 C[C@H]1CNCCC2=CC=C(Cl)C=C21 RT1766 [0,1,0,1,0,0|2,0,0]=4 219 B14R2.5637 C[C@H]1CNCCC2=CC=C(Cl)C=C21 YH89096 [0,1,0,1,0,0|2,0,0]=4 220 B14R2.5637 O=C1CCCCC2=CC=C(Br)C=C12 YH65592 [0,1,0,1,0,0|0,0,2]=4 221 B14R2.8 BrCC1CCC(C2=NC=CC=C2)O1 LT3909 [0,1,0,1,0,0|2,0,0]=4 222 B14R2.317 CC1(C2=CC=CC=C2)CCCC1=O YH03928 [0,1,0,1,0,0|0,0,2]=4 223 B14R2.5540 OC1(C2=CC=CC=C2)CCNCC1 LT2660 [0,1,0,1,0,0|2,0,0]=4 224 B14R2.3 C#CCN[C@@H]1CCC2=CC=CC=C21 LX2896 [0,1,0,1,0,0|1,0,1]=4 225 B14R2.3 C#CCN[C@@H]1CCC2=CC=CC=C21 YH32984 [0,1,0,1,0,0|1,0,1]=4 226 B14R2.6 C1=CC=C(CC2CCNCC2)C=C1 LQ4692 [0,1,0,1,0,0|1,0,0]=3 227 B14R2.6 C1=CC=C(CC2CNCCN2)C=C1 LX2286 [0,1,0,1,0,0|1,0,0]=3 228 B14R2.6 C1=CC=C(CN2CCNCC2)C=C1 JZ2708 [0,1,0,1,0,0|2,0,0]=4 229 B14R2.6 C1=CC=C(CN2CCNCC2)C=C1 LL1865 [0,1,0,1,0,0|2,0,0]=4 230 B14R2.6 C1=CC=C(CN2CCNCC2)C=C1 YH51389 [0,1,0,1,0,0|2,0,0]=4 231 B14R2.24 BrC1=CC=CC=C1C2CCNCC2 YH66327 [0,1,0,1,0,0|2,0,0]=4 232 B14R2.24 CN1CCNCC1C2=CC=CC=C2 YH65154 [0,1,0,1,0,0|2,0,0]=4 233 B14R2.24 OC1CCCCC1C2=CC=CC=C2 XJ1766 [0,1,0,1,0,0|0,0,0]=2 234 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 LX2866 [0,1,0,1,0,0|0,0,1]=3 235 B14R2.101 C1=CC=C(CCC2=NCCC2)C=C1 RT5931 [0,1,0,1,0,0|1,0,0]=3 236 B14R2.101 C1=CC=C(CO[C@@H]2CCNC2)C=C1 YH96182 [0,1,0,1,0,0|2,0,0]=4 237 B14R2.101 C1=CC=C(CO[C@H]2CCNC2)C=C1 YH96354 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.101 C1=CC=C(\C=C\C2OCCO2)C=C1 LT4561 [0,1,0,1,0,0|0,0,2]=4 239 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 YH25759 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 YH31764 [0,1,0,1,0,0|2,0,0]=4 241 B14R2.19 OC1CCN(CC2=CC=CC=C2)C1 YH18392 [0,1,0,1,0,0|1,0,0]=3 242 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 YH20900 [0,1,0,1,0,0|1,0,0]=3 243 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 RT12409 [0,1,0,1,0,0|0,0,1]=3 244 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 LT2257 [0,1,0,1,0,0|1,0,1]=4 245 B14R2.31359 O=C(O)[C@@H]1CCCC2=CC=CC=C21 RT7193 [0,1,0,1,0,0|0,0,1]=3 246 B14R2.31359 [C@H]1(C(=O)O)CCCC2=C1C=CC=C2 LX2831 [0,1,0,1,0,0|0,0,1]=3 247 B10R1.21 CCCCCC1=CC=CO1 HL2632 [1,0,0,0,1,0|1,0,0]=3