0 B13R1.388 CC=CC1=CC=C(C(=C1)O)OCC CNP0359595.0 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.114 CC=CC1=CC=C(C=C1O)OC CNP0526472.0 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.114 CCCC1=CC=C(C=C1C)CC CNP0216673.0 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.114 CCOC1=CC=C(C=C1O)CO CNP0221615.0 [1,0,0,0,0,0|1,0,1]=3 4 B12R1.288 C=CCC1=CC=C(C(=C1)O)OC CNP0181536.0 [1,0,0,0,0,0|0,0,2]=3 5 B12R1.288 CC=CC1=CC=C(C(=C1)O)OC CNP0299210.0 [1,0,0,0,0,0|0,0,0]=1 6 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CNP0214353.0 [1,0,0,0,0,0|0,0,2]=3 7 B12R1.288 COC1=CC=C(C=C1O)CCN CNP0246187.0 [1,0,0,0,0,0|1,0,2]=4 8 B12R1.288 COC1=CC=C(C=C1O)CCO CNP0076040.0 [1,0,0,0,0,0|1,0,2]=4 9 B14R1.490 C=CCC1=CC=C(C(=C1)O)OC(=O)C CNP0514692.0 [0,1,0,0,0,0|0,0,3]=4 10 B14R1.6720 CC=C(C)C1=CC=C(C(=O)O1)CCC CNP0142253.0 [0,1,0,0,0,0|2,0,1]=4 11 B14R1.6788 C=CCC1=CC=C(C(=C1)OC)OCC CNP0328868.0 [0,1,0,0,0,0|0,0,2]=3 12 B14R1.6788 CC=CC1=CC=C(C(=C1)OC)OC=O CNP0101693.0 [0,1,0,0,0,0|1,0,1]=3 13 B14R1.6788 CC=CC1=CC=C(C(=C1)OC)OCC CNP0296838.0 [0,1,0,0,0,0|0,0,0]=1 14 B14R1.14945 CCOC1=CC(=O)C(=CC1=O)OCC CNP0153881.0 [0,1,0,0,0,0|1,0,2]=4 15 B14R2.587 C=CCC1=CC(=C2OCOC2=C1)O CNP0224367.0 [0,0,0,1,0,0|1,0,2]=4 16 B14R2.6400 C=CCC1=CC=C2OC(OC2=C1)O CNP0550445.0 [0,0,0,1,0,0|1,0,2]=4 17 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [2,0,0,0,0,0|0,0,2]=4 21 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [2,0,0,0,0,0|0,0,0]=2 22 B11R1.83 CC=CC1=CCC(C=C1)OC CNP0609217.0 [2,0,0,0,0,0|0,0,2]=4 23 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [2,0,0,0,0,0|0,0,2]=4 24 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [2,0,0,0,0,0|1,0,1]=4 27 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [2,0,0,0,0,0|0,0,0]=2 32 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [2,0,0,0,0,0|0,0,1]=3 34 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.192 C=CCC1=CC=C(C(=C1)O)O CNP0278721.0 [2,0,0,0,0,0|0,0,2]=4 46 B11R1.192 CC=CC1=CC=C(C(=C1)C)C CNP0488892.0 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.192 CC=CC1=CC=C(C(=C1)O)O CNP0370461.0 [2,0,0,0,0,0|0,0,0]=2 48 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [2,0,0,0,0,0|1,0,1]=4 49 B11R1.192 O=CCC1=CC=C(C(=C1)O)O CNP0123574.0 [2,0,0,0,0,0|1,0,1]=4 50 B11R1.192 OC=CC1=CC=C(C(=C1)O)O CNP0157779.0 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.192 ON=CC1=CC=C(C(=C1)O)O CNP0372159.0 [2,0,0,0,0,0|2,0,0]=4 52 B13R1.95 CCC(=O)C1=CC=C(C=C1O)OC CNP0227317.0 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.653 C=CC1=CC=C(C(=C1)C)OC(=O)C CNP0588232.0 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.653 CC(C)OC1=CC=C(C=C1O)CO CNP0438495.0 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.653 COC1=CC=C(C(=C1)O)C[C@H](C)O CNP0360565.1 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.1249 CCCC1=CC=C(C=C1CO)CC CNP0179370.0 [1,1,0,0,0,0|1,0,1]=4 57 B13R1.1249 CCOC1=CC=C(C=C1C=O)OC CNP0274745.0 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.77 CCOC1=CC=C(C=C1)C=CCO CNP0418887.0 [1,1,0,0,0,0|0,0,0]=2 59 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O CNP0313669.0 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.142 CCOC1=CC=C(C=C1)CC(C)N CNP0191059.0 [1,1,0,0,0,0|0,0,2]=4 61 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C CNP0330924.0 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.35 COC1=CC=C(C=C1O)CC(=O)O CNP0071040.0 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.386 C=CCC1=CC=C(C(=C1)OC)OC CNP0137352.0 [1,1,0,0,0,0|0,0,2]=4 64 B13R1.386 CC=CC1=CC=C(C(=C1)OC)OC CNP0286991.0 [1,1,0,0,0,0|0,0,0]=2 65 B13R1.386 CCCC1=CC=C(C(=C1)OC)OC CNP0355885.0 [1,1,0,0,0,0|0,0,2]=4 66 B13R1.386 COC1=CC=C(C=C1OC)C=CO CNP0075049.0 [1,1,0,0,0,0|1,0,0]=3 67 B13R1.386 COC1=CC=C(C=C1OC)C=NO CNP0316088.0 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.386 COC1=CC=C(C=C1OC)CC=O CNP0329009.0 [1,1,0,0,0,0|1,0,1]=4 69 B13R1.577 CNCCC1=CC=C(C(=C1)O)OC CNP0506314.0 [1,1,0,0,0,0|0,0,2]=4 70 B13R1.577 COC1=CC=C(C=C1C)C=CC=O CNP0119255.0 [1,1,0,0,0,0|1,0,1]=4 71 B13R1.577 COC1=CC=C(C=C1O)C=CC=O CNP0158241.0 [1,1,0,0,0,0|0,0,1]=3 72 B13R1.577 COC1=CC=C(C=C1O)C=CCO CNP0270945.0 [1,1,0,0,0,0|0,0,0]=2 73 B13R1.577 COC1=CC=C(C=C1O)CCCO CNP0221328.0 [1,1,0,0,0,0|0,0,2]=4 74 B13R1.3088 CC=C(C)C1=CC=C(C(=O)O1)CC CNP0429108.0 [1,1,0,0,0,0|1,0,1]=4 75 B13R1.3088 COC(=O)C1=CC=C(C(=C1)O)OC CNP0155987.0 [1,1,0,0,0,0|1,0,0]=3 76 B15R1.594 CC=CC1=CC=C(C(=C1)OC)OC(=O)C CNP0154253.0 [0,2,0,0,0,0|0,0,1]=3 77 B15R1.9641 C=CCC1=CC=C(C(=C1)OCC)OCC CNP0081615.0 [0,2,0,0,0,0|0,0,2]=4 78 B15R1.27355 C=CCC1=CC(=C(C=C1O)OCC)OC CNP0541781.0 [0,2,0,0,0,0|0,0,2]=4 79 B13R2.449 CC=CC1=CC=C2OCOC2=C1 CNP0416776.0 [1,0,0,1,0,0|1,0,0]=3 80 B13R2.449 CN=CC1=CC=C2OCOC2=C1 CNP0471034.0 [1,0,0,1,0,0|2,0,0]=4 81 B13R2.599 COC1=CC2=C(C=C1O)NC=C2 CNP0018089.0 [1,0,0,1,0,0|1,0,1]=4 82 B13R2.599 COC1=CC2=C(C=CN2)C=C1Br CNP0169346.0 [1,0,0,1,0,0|2,0,0]=4 83 B13R2.599 COC1=CC2=C(C=CN2)C=C1O CNP0094755.0 [1,0,0,1,0,0|1,0,0]=3 84 B15R2.1601 CCC(=O)C1=CC=C2OCCOC2=C1 CNP0568463.0 [0,1,0,1,0,0|0,0,1]=3 85 B15R2.19363 CCC(=O)C1=CC(=C2OCOC2=C1)O CNP0287400.0 [0,1,0,1,0,0|1,0,1]=4 86 B15R2.4367 CC=CC1=CC(=C2OCOC2=C1)OC CNP0150482.0 [0,1,0,1,0,0|1,0,0]=3 87 B13R1.384 C=CCC1=CC=C(C(=C1)OCC)O CNP0242687.0 [0,0,0,0,1,1|0,0,2]=4 88 B13R1.384 CC=CC1=CC=C(C(=C1)OCC)O CNP0328675.0 [0,0,0,0,1,1|0,0,0]=2 89 B13R1.384 CCOC1=CC(=CC=C1O)COC CNP0002699.0 [0,0,0,0,1,1|1,0,1]=4