0 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 C11462 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.44 BrCC1=CC2=C(C=C1)OC=N2 O11298 [1,0,0,0,0,0|2,0,1]=4 2 B12R2.44 C#CC1=CC2=C(C=C1)OCO2 S12364 [1,0,0,0,0,0|0,0,2]=3 3 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 S11942 [1,0,0,0,0,0|0,0,0]=1 4 B12R2.44 N#CC1=CC2=C(C=C1)CCO2 P20227 [1,0,0,0,0,0|2,0,1]=4 5 B12R2.44 NCC1=CC2=C(C=C1)CCC2 W11761 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.44 NCC1=CC2=C(C=C1)CCC2 Y11717 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.44 NCC1=CC2=C(C=C1)CCO2 N14319 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.44 NCC1=CC2=C(C=C1)CCO2 Y13364 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.44 NCC1=CC2=C(C=C1)NCC2 W19193 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 F11397 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 Y10438 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.44 OCC1=CC2=C(C=C1)CCO2 Y10452 [1,0,0,0,0,0|2,0,0]=3 13 B14R2.991 CNNCC1=CC2=C(C=C1)OCO2 30196 [0,1,0,0,0,0|1,0,1]=3 14 B14R2.991 COCOC1=CC2=C(C=C1)OCO2 C12804 [0,1,0,0,0,0|1,0,1]=3 15 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 F20174 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.286 COC1=C(Br)C=CC(CCN)=C1 63217 [0,0,1,0,0,0|2,0,1]=4 17 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 C10148 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.288 COC1=C(Cl)C=C(CC#N)C=C1 F20215 [0,0,1,0,0,0|2,0,1]=4 19 B12R1.288 COC1=C(O)C=C(CC#N)C=C1 51447 [0,0,1,0,0,0|1,0,1]=3 20 B14R3.3022 C1=C2CCOC2=CC3=C1OCC3 C76624 [0,0,0,1,0,0|2,0,1]=4 21 B14R3.3022 C1=C2CNCC2=CC3=C1OCO3 50635 [0,0,0,1,0,0|1,0,1]=3 22 B14R3.3022 C1=CC2=CC3=C(C=C2N1)OCO3 I10192 [0,0,0,1,0,0|1,0,0]=2 23 B14R3.3046 C1=CC2=C(OCO2)C3=C1CNC3 C73786 [0,0,0,1,0,0|1,0,1]=3 24 B14R2.112 CNCC1=CC2=C(C=C1)OCCO2 71562 [0,0,0,0,0,1|1,0,1]=3 25 B11R1.83 C=COC1=CC=C(CO)C=C1 D80867 [1,0,1,0,0,0|1,0,0]=3 26 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [1,0,1,0,0,0|1,0,0]=3 27 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [1,0,1,0,0,0|1,0,1]=4 28 B11R1.83 O=CC1=CC=C(CCO)C=C1 CK2095 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.83 OCCC1=CC=C(CO)C=C1 D82395 [1,0,1,0,0,0|1,0,1]=4 30 B11R1.189 COC1=CC=CC(CC=O)=C1 W16819 [1,0,1,0,0,0|1,0,0]=3 31 B11R1.189 COC1=CC=CC(CSC)=C1 W19464 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.192 CNCC1=CC(O)=C(O)C=C1 31716 [1,0,1,0,0,0|1,0,1]=4 33 B11R1.192 N#CCC1=CC(O)=C(O)C=C1 D82364 [1,0,1,0,0,0|1,0,1]=4 34 B11R1.192 OCCC1=CC(O)=C(O)C=C1 68063 [1,0,1,0,0,0|1,0,1]=4 35 B11R1.280 COC1=C(Br)C=CC(CBr)=C1 F52556 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.280 COC1=C(C)C=CC(CN)=C1 78978 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.280 COC1=C(C)C=CC(CN)=C1 N12583 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 76075 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.280 COC1=C(Cl)C=CC(CN)=C1 76074 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 VT1204 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.280 COC1=C(N)C=CC(C=O)=C1 C90569 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.280 COC1=C(N)C=CC(CO)=C1 F20106 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.279 CCC1=CC(N)=C(OC)C=C1 W16778 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.279 CCC1=CC(O)=C(OC)C=C1 O11426 [1,0,1,0,0,0|0,0,1]=3 45 B11R1.279 COC1=C(C)C=C(CO)C=C1 D87344 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.279 COC1=C(Cl)C=C(CCl)C=C1 N12801 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.279 COC1=C(N)C=C(CO)C=C1 74962 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.279 COC1=C(O)C=C(CO)N=C1 79208 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.279 COC1=CC(O)=C(OC)C=C1 25077 [1,0,1,0,0,0|1,0,1]=4 50 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [2,0,0,0,0,0|2,0,0]=4 51 B11R2.36 ClC1=CC2=C(C=C1)OCC2 W17536 [2,0,0,0,0,0|2,0,0]=4 52 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [2,0,0,0,0,0|2,0,0]=4 53 B11R2.36 FC1=CC2=C(C=C1)OCO2 AC4347 [2,0,0,0,0,0|1,0,0]=3 54 B11R2.36 NC1=CC2=C(C=C1)CCO2 F12399 [2,0,0,0,0,0|2,0,0]=4 55 B11R2.36 NC1=CC2=C(C=C1)OCO2 D97371 [2,0,0,0,0,0|1,0,0]=3 56 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [2,0,0,0,0,0|2,0,0]=4 57 B11R2.36 OC1=CC2=C(C=C1)OCC2 24188 [2,0,0,0,0,0|2,0,0]=4 58 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 CL9702 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.52 COC1=C(O)C=CC(OC(C)=O)=C1 AC6384 [0,1,1,0,0,0|1,0,1]=4 60 B13R1.386 COC1=C(OC)C=C(CC=O)C=C1 O10461 [0,1,1,0,0,0|1,0,0]=3 61 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 42813 [0,1,1,0,0,0|0,0,1]=3 62 B13R1.577 COC1=C(O)C=C(\C=C\CO)C=C1 D80310 [0,1,1,0,0,0|0,0,2]=4 63 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 I10960 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)CCO2 Y14532 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCC2 N13157 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCC2 Y12593 [1,1,0,0,0,0|1,0,1]=4 67 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 92497 [1,1,0,0,0,0|0,0,1]=3 68 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 35217 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.599 BrCC1=C(I)C=C2OCOC2=C1 AC2010 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.599 CC1=C(CCl)C=C2OCOC2=C1 C11483 [1,1,0,0,0,0|1,0,0]=3 71 B13R2.599 NCC1=C(Br)C=C2OCOC2=C1 D84125 [1,1,0,0,0,0|1,0,0]=3 72 B13R2.599 O=CC1=C(O)C=C2OCOC2=C1 Y11352 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.654 O=CC1=CC(Br)=C2OCCC2=C1 A12910 [1,1,0,0,0,0|2,0,0]=4 74 B15R2.1668 CC(=O)CC1=CC2=C(C=C1)OCCO2 W16412 [0,1,0,0,0,1|0,0,1]=3 75 B15R2.1668 C[C@H](O)CC1=CC2=C(C=C1)OCCO2 W16413 [0,1,0,0,0,1|0,0,2]=4 76 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)OCCC2 71731 [0,1,0,0,0,1|2,0,0]=4 77 B15R2.964 CC(=O)NC1=C(I)C=C2OCOC2=C1 W11508 [0,2,0,0,0,0|1,0,1]=4 78 B15R2.1350 CCC[C@H](N)C1=CC2=C(C=C1)OCO2 49453 [0,2,0,0,0,0|0,0,2]=4 79 B15R2.4239 O=C(O)[C@H](O)C1=CC2=C(C=C1)OCC2 C76228 [0,2,0,0,0,0|2,0,0]=4 80 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 C10355 [0,2,0,0,0,0|1,0,1]=4 81 B15R2.7688 O=C(O)\C=C/C1=CC2=C(C=C1)OCC2 C12982 [0,2,0,0,0,0|1,0,1]=4 82 B15R2.42998 CC(C)(O)CC1=CC2=C(C=C1)OCO2 D83546 [0,2,0,0,0,0|0,0,2]=4 83 B15R3.10059 O=C1CCC2=C1C=C3OCCC3=C2 71700 [0,1,0,1,0,0|1,0,1]=4 84 B15R3.10059 O=C1CCC2=C1C=C3OCOC3=C2 Y10636 [0,1,0,1,0,0|0,0,1]=3 85 B11R2.190 C=CC1=CC2=C(C=C1)CC2 67824 [1,0,0,0,1,0|1,0,0]=3 86 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 Y10211 [1,0,0,0,0,1|2,0,0]=4 87 B13R2.57 O=CC1=NC2=C(C=C1)OCCO2 77896 [1,0,0,0,0,1|2,0,0]=4 88 B13R2.57 OCC1=CC2=C(C=C1)OCCN2 72222 [1,0,0,0,0,1|2,0,0]=4