0 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 6953 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 19152 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 24845 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 31788 [0,0,0,0,0,0|1,0,1]=2 4 B12R2.44 ClCC1=CC2=C(C=C1)OCC2 7796 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 35833 [1,0,0,0,0,0|1,0,0]=2 6 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 15358 [1,0,0,0,0,0|1,0,1]=3 7 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 7027 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.44 NCC1=CC2=C(C=C1)OCC2 6985 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.44 NCC1=CC2=C(C=C1)OCO2 7387 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 7015 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 13007 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 28005 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.44 O=CC1=CC=C2CCCC2=C1 21537 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.44 OCC1=CC2=C(C=C1)CCO2 33826 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 7026 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.44 OCC1=CC2=C(C=C1)OCC2 7802 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.44 OCC1=CC2=C(C=C1)OCO2 13179 [1,0,0,0,0,0|1,0,0]=2 18 B14R2.966 N#C[C@H](O)C1=CC2=C(C=C1)OCO2 17474 [0,1,0,0,0,0|1,0,1]=3 19 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 22975 [0,1,0,0,0,0|1,0,2]=4 20 B14R2.966 O=CC(=O)C1=CC2=C(C=C1)OCO2 12143 [0,1,0,0,0,0|1,0,1]=3 21 B14R2.966 O[C@H](CCl)C1=CC2=C(C=C1)OCO2 15580 [0,1,0,0,0,0|1,0,1]=3 22 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 35412 [0,1,0,0,0,0|1,0,1]=3 23 B14R2.991 S=C=NCC1=CC2=C(C=C1)OCO2 9883 [0,1,0,0,0,0|1,0,1]=3 24 B14R2.1008 C[C@@H](O)CC1=CC2=C(C=C1)OCO2 15588 [0,1,0,0,0,0|0,0,2]=3 25 B14R2.1008 N=C(N)NC1=CC2=C(C=C1)OCO2 22167 [0,1,0,0,0,0|2,0,0]=3 26 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 44846 [0,1,0,0,0,0|1,0,0]=2 27 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 9983 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 24196 [0,1,0,0,0,0|1,0,0]=2 29 B12R1.116 CCOC1=CC=C(CC#N)C=C1 4163 [0,0,1,0,0,0|2,0,1]=4 30 B12R1.116 OCCC1=CC=C(CCO)C=C1 25448 [0,0,1,0,0,0|2,0,1]=4 31 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 12778 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 14775 [0,0,1,0,0,0|1,0,1]=3 33 B12R1.286 COC1=C(O)C=CC(CCN)=C1 34925 [0,0,1,0,0,0|1,0,1]=3 34 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 31493 [0,0,1,0,0,0|2,0,1]=4 35 B12R1.288 COC1=C(O)C=C(CCN)C=C1 19594 [0,0,1,0,0,0|1,0,1]=3 36 B11R1.83 CCOC1=CC=C(C=O)C=C1 13134 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.83 CCOC1=CC=C(CCl)C=C1 17445 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.83 CCOC1=CC=C(CO)C=C1 27464 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [1,0,1,0,0,0|1,0,1]=4 41 B11R1.83 COC1=CC=C(CC#N)C=C1 20331 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [1,0,1,0,0,0|1,0,0]=3 43 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [1,0,1,0,0,0|0,0,2]=4 45 B11R1.189 CCOC1=CC=CC(C=O)=C1 13132 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.189 CNCC1=CC(OC)=CC=C1 31256 [1,0,1,0,0,0|1,0,1]=4 47 B11R1.189 COC1=CC=CC(CC#N)=C1 18497 [1,0,1,0,0,0|1,0,1]=4 48 B11R1.189 COC1=CC=CC(CCN)=C1 12794 [1,0,1,0,0,0|1,0,1]=4 49 B11R1.192 NCCC1=CC(O)=C(O)C=C1 22727 [1,0,1,0,0,0|1,0,1]=4 50 B11R1.192 OCCC1=CC=C(O)C(O)=C1 14271 [1,0,1,0,0,0|1,0,1]=4 51 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 28101 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.280 CCC1=CC(OC)=C(Cl)C=C1 5280 [1,0,1,0,0,0|1,0,1]=4 53 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 30968 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.280 COC1=C(Br)C=CC(CO)=C1 31324 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.280 COC1=C(C)C=CC(C=O)=C1 2646 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 30916 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.280 COC1=C(F)C=CC(C=O)=C1 1449 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.280 COC1=C(F)C=CC(CBr)=C1 27471 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.280 COC1=C(F)C=CC(CN)=C1 27537 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.280 COC1=C(F)C=CC(CO)=C1 7734 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.280 COC1=C(O)C=CC(C#N)=C1 13112 [1,0,1,0,0,0|1,0,1]=4 62 B11R1.280 COC1=C(O)C=CC(C=O)=C1 25440 [1,0,1,0,0,0|1,0,0]=3 63 B11R1.280 COC1=C(O)C=CC(CN)=C1 7385 [1,0,1,0,0,0|1,0,0]=3 64 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 2643 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.279 COC1=C(C)C=C(C=O)C=C1 14879 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.279 COC1=C(C)C=C(CO)C=C1 24130 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 2638 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 31299 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.279 COC1=C(F)C=C(C=O)C=C1 1448 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.279 COC1=C(F)C=C(CBr)C=C1 4923 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.279 COC1=C(N)C=C(C=O)C=C1 19765 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.279 COC1=C(O)C=C(C#N)C=C1 4806 [1,0,1,0,0,0|1,0,1]=4 73 B11R1.279 COC1=C(O)C=C(C=O)C=C1 7770 [1,0,1,0,0,0|1,0,0]=3 74 B11R1.279 COC1=C(O)C=C(CO)C=C1 15050 [1,0,1,0,0,0|1,0,0]=3 75 B11R1.279 COC1=CC(O)=C(OC)C=C1 27372 [1,0,1,0,0,0|1,0,1]=4 76 B11R1.279 COc1ccc(CN)cc1F 31259 [1,0,1,0,0,0|2,0,0]=4 77 B11R2.36 BrC1=CC2=C(C=C1)CCO2 28031 [2,0,0,0,0,0|2,0,0]=4 78 B11R2.36 BrC1=CC2=C(C=C1)OCC2 7055 [2,0,0,0,0,0|2,0,0]=4 79 B11R2.36 BrC1=CC2=C(C=C1)OCO2 3738 [2,0,0,0,0,0|1,0,0]=3 80 B11R2.36 CC1=CC2=C(C=C1)OC=C2 28016 [2,0,0,0,0,0|1,0,1]=4 81 B11R2.36 CC1=CC2=C(C=C1)OC=N2 8638 [2,0,0,0,0,0|1,0,1]=4 82 B11R2.36 ClC1=CC2=C(C=C1)OCO2 3620 [2,0,0,0,0,0|1,0,0]=3 83 B11R2.36 FC1=CC2=C(C=C1)OCC2 24189 [2,0,0,0,0,0|2,0,0]=4 84 B11R2.36 IC1=CC2=C(C=C1)OCC2 27760 [2,0,0,0,0,0|2,0,0]=4 85 B11R2.36 IC1=CC2=C(C=C1)OCO2 33795 [2,0,0,0,0,0|1,0,0]=3 86 B11R2.36 NC1=CC2=C(C=C1)OCC2 16462 [2,0,0,0,0,0|2,0,0]=4 87 B11R2.36 NC1=CC2=C(C=C1)OCC2 20541 [2,0,0,0,0,0|2,0,0]=4 88 B11R2.36 NC1=CC2=C(C=C1)OCO2 22150 [2,0,0,0,0,0|1,0,0]=3 89 B11R2.36 OC1=CC2=C(C=C1)CCO2 32303 [2,0,0,0,0,0|2,0,0]=4 90 B11R2.36 OC1=CC2=C(C=C1)OCO2 15359 [2,0,0,0,0,0|1,0,0]=3 91 B11R2.36 SC1=CC2=C(C=C1)OCO2 15612 [2,0,0,0,0,0|1,0,0]=3 92 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 31547 [0,1,1,0,0,0|2,0,0]=4 93 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 25281 [0,1,1,0,0,0|2,0,0]=4 94 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 31437 [0,1,1,0,0,0|2,0,0]=4 95 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 14403 [0,1,1,0,0,0|1,0,0]=3 96 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 20538 [0,1,1,0,0,0|1,0,1]=4 97 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 22139 [0,1,1,0,0,0|1,0,1]=4 98 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 28132 [0,1,1,0,0,0|1,0,1]=4 99 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 12491 [0,1,1,0,0,0|2,0,0]=4 100 B13R1.35 COC1=C(C)C=C(CC(=O)O)C=C1 4198 [0,1,1,0,0,0|2,0,0]=4 101 B13R1.35 COC1=C(C)C=C(CC(C)=O)C=C1 24859 [0,1,1,0,0,0|1,0,1]=4 102 B13R1.35 COC1=C(F)C=C(CC(=O)O)C=C1 4170 [0,1,1,0,0,0|2,0,0]=4 103 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 3998 [0,1,1,0,0,0|1,0,0]=3 104 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 33775 [1,1,0,0,0,0|1,0,1]=4 105 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 13198 [1,1,0,0,0,0|0,0,1]=3 106 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OCC2 6935 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 33735 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 14824 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 9772 [1,1,0,0,0,0|1,0,0]=3 110 B13R2.430 O=[N+]([O-])c1ccc2c(c1)OCO2 22908 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 22674 [1,1,0,0,0,0|2,0,0]=4 112 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 25906 [1,1,0,0,0,0|2,0,0]=4 113 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)OCCO2 17716 [0,1,0,0,0,1|1,0,0]=3 114 B15R2.1350 CCCC(=O)C1=CC2=C(C=C1)OCO2 14226 [0,2,0,0,0,0|0,0,2]=4 115 B15R2.1350 N#CCC(=O)C1=CC2=C(C=C1)OCO2 11962 [0,2,0,0,0,0|1,0,1]=4 116 B15R2.4343 CC(C=O)CC1=CC2=C(C=C1)OCO2 15361 [0,2,0,0,0,0|0,0,1]=3 117 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 15363 [0,2,0,0,0,0|0,0,1]=3 118 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 14820 [0,2,0,0,0,0|1,0,1]=4 119 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCO2 25778 [0,2,0,0,0,0|0,0,1]=3 120 B15R2.7688 O=C(O)\C=C\c1ccc2c(c1)OCO2 8286 [0,2,0,0,0,0|0,0,1]=3 121 B15R3.10059 O=C1CCC2=CC3=C(C=C12)OCO3 25779 [0,1,0,1,0,0|0,0,1]=3 122 B15R3.43766 O=C1CCC2=C1C3=C(C=C2)OCC3 19180 [0,1,0,1,0,0|1,0,1]=4 123 B15R3.677 CC1=CC2=C(C=C3CCCC3=C2)C1 15071 [0,1,0,1,0,0|2,0,0]=4 124 B11R2.190 C=CC1=CC=C2CCC2=C1 35204 [1,0,0,0,1,0|1,0,0]=3 125 B13R2.57 C#[N+]C1=CC2=C(C=C1)OCCO2 16170 [1,0,0,0,0,1|1,0,1]=4 126 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 14513 [1,0,0,0,0,1|1,0,0]=3 127 B13R2.57 O=CC1=CC2=C(C=N1)OCCO2 17718 [1,0,0,0,0,1|2,0,0]=4 128 B13R2.57 O=CC1=CN=C2OCCOC2=C1 26821 [1,0,0,0,0,1|2,0,0]=4 129 B13R2.57 OCC1=CN=C2OCCOC2=C1 26744 [1,0,0,0,0,1|2,0,0]=4