0 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 LL2065 [1,0,0,0,0,0|2,0,0]=3 1 B11R1.182 CCOC1=CC(Cl)=CC=C1I LT3170 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.182 CCOC1=CC(N)=CC=C1Br LL2988 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.189 CCOC1=CC(CO)=CC=C1 XJ6249 [1,0,0,0,0,0|0,0,2]=3 4 B11R1.280 CCC1=CC(C#N)=CC=C1N YH39364 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.280 CCC1=CC(OC)=CC=C1I YH98838 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.280 COC1=C(Br)C=CC(CO)=C1 YH39531 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.280 COC1=C(F)C=CC(C=O)=C1 YH30893 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.280 COC1=C(O)C=CC(CN)=C1 LT2726 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.280 COC1=CC(C=O)=CC=C1O RT11342 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.280 COC1=CC(CBr)=CC=C1F YH34087 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.280 COC1=CC(OC)=C(I)C=C1 JZ5392 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.280 COC1=CC=C(N)C(OC)=C1 XJ2288 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 RT10938 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.97 O=CC1=CC=C(O)C(OC(F)F)=C1 RT12582 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.355 CCOC1=CC(C=O)=CC=C1OC HL0717 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.2431 COC(=O)C1=C(O)C=CC(C=O)=C1 YH00606 [0,1,0,0,0,0|2,0,0]=3 17 B13R2.57 [C-]#[N+]C1=CC=C2OCCOC2=C1 LT4055 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [2,0,0,0,0,0|0,0,0]=2 23 B10R1.4 CCOC1=CC=CN=C1Br YH94023 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.4 CCOC1=CC=CN=C1N YH20158 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.4 CCOC1=NC=CC=C1I LT3940 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.4 NCCC1=CC=CC=C1O RT6527 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.10 CCOC1=CC(Br)=CC=C1 XJ2220 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.10 CCOC1=CC(Br)=CN=C1 YH39559 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.10 CCOC1=CC(F)=CC=C1 HL1827 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.10 CCOC1=CC(F)=NC=C1 LX3150 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.10 CCOC1=CC=CC(O)=C1 JZ3968 [2,0,0,0,0,0|0,0,1]=3 33 B10R1.10 CCOC1=CC=NC(N)=C1 XJ5598 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.10 CCOC1=CN=CC(N)=C1 LX2438 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 JZ4874 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.30 CCC1=C(I)C=CC(Br)=C1 LL2449 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.30 CCC1=CC(Br)=CC=C1O RT11159 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.30 CCC1=CC(O)=CC=C1I YH37192 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.30 CCC1=NC(C)=CC=C1O RT9719 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 YH40244 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 CJ2812 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.30 COC1=C(F)C=CC(F)=C1 YH17327 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.30 COC1=C(F)C=CC(N)=C1 LL1071 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.30 COC1=CC(Br)=CC=C1N LX2103 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.30 COC1=CC(N)=CC=C1Br JZ5281 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.30 COC1=CC(N)=CC=C1O RT1602 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.30 COC1=CC(O)=CC=C1Br HL3101 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.30 COC1=CC(O)=CC=C1O LQ1490 [2,0,0,0,0,0|0,0,1]=3 49 B10R1.30 OCC1=CC(F)=CC=C1O LT3858 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.172 C(=O)C1=CC=CC(OC)=N1 YH06246 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.172 CCC1=CC(C#N)=CC=C1 YH55547 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.172 CCC1=CC=CC(CC)=C1 JZ5691 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.172 COC1=CC=CC(C#N)=C1 LQ1836 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.172 COC1=CC=CC(C=O)=C1 HL0099 [2,0,0,0,0,0|0,0,0]=2 55 B10R1.172 COC1=CC=CC(CBr)=C1 HL0466 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.172 COC1=CC=CC(CN)=C1 HL2884 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.172 COC1=CC=CC(CO)=C1 LT2556 [2,0,0,0,0,0|0,0,2]=4 58 B10R1.172 COC1=NC=CC(C=O)=C1 YH15897 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.172 N#CC1=CC=CC(C=O)=C1 LQ4460 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.172 NCC1=NC=CC(C=O)=C1 HL4828 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.176 C(=O)C1=CC(C)=C(O)C=C1 XJ4175 [2,0,0,0,0,0|0,0,0]=2 62 B10R1.176 C(=O)C1=CC=C(Cl)C(F)=C1 YH06829 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.176 C=CC1=CC=C(O)C(O)=C1 RT11606 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.176 CC1=C(I)C=C(C=O)C=C1 YH08545 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.176 CCC1=CC=C(O)C(O)=C1 HL0678 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.176 N#CC1=CC(O)=C(O)C=C1 LT6099 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 LL1331 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 YH90433 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 XJ2310 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 YH10936 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 LT6754 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 LT6758 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.176 O=CC1=CC=C(Br)C(F)=C1 LL2124 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.176 O=CC1=CC=C(F)C(Br)=C1 LT2909 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.176 O=CC1=CC=C(F)C(F)=C1 LT6639 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.176 O=CC1=CC=C(O)C(O)=C1 LT6643 [2,0,0,0,0,0|0,0,0]=2 77 B12R1.127 CC(C)OC1=CC(Cl)=CC=C1N YH98863 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.354 CCC(=O)C1=CC(O)=CC=C1O JZ4313 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.374 CCNCC1=CC(N)=CC=C1O RT3657 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.279 CCOC1=CC(C(N)=O)=CC=C1 LQ5333 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.279 CCOC1=CC=CC(B(O)O)=C1 HL4909 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.279 CCOC1=CC=CC([N+](=O)[O-])=C1 JZ3976 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.280 C(=O)C1=CC=CC(OCC)=C1O LL0882 [1,1,0,0,0,0|0,0,0]=2 84 B12R1.382 COC1=CC(OCCN)=CC=C1 RT3225 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.438 O=CC1=CC(OC(F)F)=CC=C1 HL4782 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.56 CC(=O)C1=CC(CCl)=C(O)C=C1 RT11901 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.56 CCC1=CC(C(=O)O)=CC=C1N YH04730 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 HL4614 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 HL4789 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 HL0608 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 LL1051 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 HL2265 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 LL0277 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 RT12307 [1,1,0,0,0,0|0,0,0]=2 95 B12R1.56 COC1=CC(C(=O)O)=CC=C1Br LQ5384 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1F HL1790 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1F YH01947 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1O XJ2400 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 LX3093 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.56 O=CC1=CC(C(=O)O)=CC=C1O CJ2936 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.56 O=[N+]([O-])C1=CC=C(O)C(CBr)=C1 HL0425 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.56 O=[N+]([O-])C1=CC=C(O)C(CCl)=C1 XJ2304 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 YH01364 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 RT11898 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 LQ3239 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.78 COC1=C(OC)C=C(CN)C=C1 LT2204 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.78 COC1=CC=C(C=O)C=C1CCl RT10989 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.78 COC1=CC=C(C=O)C=C1OC LT6106 [1,1,0,0,0,0|0,0,0]=2 109 B12R1.78 COC1=CC=C(CO)C=C1OC LT6646 [1,1,0,0,0,0|0,0,2]=4 110 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 XJ2308 [1,1,0,0,0,0|0,0,0]=2 111 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 LQ2860 [1,1,0,0,0,0|0,0,0]=2 112 B12R1.300 COC1=CC(C=O)=CC(O)=C1O LQ2593 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 YH32670 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.453 O=CC1=CC=C(O)C([N+](=O)[O-])=C1 XJ2367 [1,1,0,0,0,0|2,0,0]=4 115 B14R1.2336 O=CC1=CC=C(F)C(OC(F)(F)F)=C1 LL1549 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.3723 COC1=CC=C(C=O)C=C1OC(C)=O RT11031 [0,2,0,0,0,0|0,0,1]=3 117 B14R1.3723 COC1=CC=C(C=O)C=C1OC(F)F RT12373 [0,2,0,0,0,0|1,0,0]=3 118 B14R1.758 CCNCC1=CC([N+](=O)[O-])=CC=C1O RT2930 [0,2,0,0,0,0|2,0,0]=4 119 B14R1.5293 CCNC1=C(O)C(Cl)=CC([N+](=O)[O-])=C1 HL3432 [0,2,0,0,0,0|2,0,0]=4 120 B14R1.5389 CCCC1=C(O)C(C(C)=O)=CC=C1O LT5943 [0,2,0,0,0,0|1,0,0]=3 121 B14R1.5236 CCOC1=CC=C(CO)C=C1OCC LL1524 [0,2,0,0,0,0|0,0,2]=4 122 B12R1.267 CCO\C=C\C1=CC=CC=C1Cl RT6428 [0,0,1,1,0,0|2,0,0]=4 123 B12R2.24 FC1=CC2=C(C=C1)OCCC2 RT8167 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.24 NC1=CC2=C(C=C1)OCCO2 JZ5481 [1,0,0,1,0,0|1,0,0]=3 125 B12R2.24 OC1=CC2=C(C=C1)CCCO2 CJ2931 [1,0,0,1,0,0|1,0,1]=4 126 B12R2.24 OC1=CC2=C(C=C1)OCCC2 CJ2929 [1,0,0,1,0,0|1,0,1]=4 127 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 LT5968 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 LL0482 [1,0,0,1,0,0|1,0,0]=3 129 B12R2.315 C=CC1=CC=CC2=C1CCO2 YH48063 [1,0,0,1,0,0|1,0,0]=3 130 B12R2.315 O=CC1=CC=CC2=C1OCC2 LL2547 [1,0,0,1,0,0|2,0,0]=4 131 B12R2.315 OCC1=C2CCOC2=CC=C1 RT9703 [1,0,0,1,0,0|0,0,2]=4 132 B14R2.781 O=C(O)C1=CC=C2OCCOC2=C1 RT11230 [0,1,0,1,0,0|0,0,0]=2 133 B14R2.2400 ClCC1=CC=C2OCCCOC2=C1 LL1180 [0,1,0,1,0,0|1,0,1]=4 134 B14R2.11806 CC1=C(O)C2=C(CCC2)C(C=O)=C1 YH08004 [0,1,0,1,0,0|1,0,0]=3