0 B13R1.433 COC1=CC(=C(C(=C1)OC)Br)OC PI-15613 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.433 COC1=CC(=C(C(=C1)OC)O)OC PI-11740 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.433 COC1=CC(=CC(=C1Br)OC)C=O PI-16090 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.433 COC1=CC(=CC(=C1Br)OC)CBr PI-49401 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.433 COc1cc(C=O)cc(c1O)OC PI-18158 [0,0,0,0,0,0|0,0,0]=0 5 B13R1.433 COc1cc(CO)cc(c1Br)OC PI-31245 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.58 COC1=CC(=CC(=C1)C#C)OC PI-48351 [1,0,0,0,0,0|1,0,1]=3 7 B12R1.58 COC1=CC(=CC(=C1)C#N)OC PI-16134 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.58 COC1=CC(=CC(=C1)CO)OC PI-31277 [1,0,0,0,0,0|0,0,2]=3 9 B12R1.58 COC1=CC(OC)=CC(CCl)=C1 PI-23198 [1,0,0,0,0,0|1,0,1]=3 10 B12R1.58 COc1cc(OC)cc(c1)C=O PI-16093 [1,0,0,0,0,0|0,0,0]=1 11 B12R1.58 COc1cc(OC)cc(c1)OC PI-11233 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.58 NCc1cc(OC)cc(c1)OC PI-30510 [1,0,0,0,0,0|1,0,1]=3 13 B12R1.235 COC1=CC(=CC(=C1O)C=O)Br PI-27644 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.235 COC1=CC(=CC(=C1O)C=O)I PI-27877 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.235 COC1=CC(=O)C=C(C1=O)OC PI-29662 [1,0,0,0,0,0|0,0,1]=2 16 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O PI-18444 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O PI-27693 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.300 COC1=CC(=CC(=C1O)O)C=O PI-18518 [1,0,0,0,0,0|0,0,0]=1 19 B12R1.300 COc1cc(C=O)cc(Cl)c1O PI-27306 [1,0,0,0,0,0|1,0,0]=2 20 B12R1.300 COc1cc(C=O)cc(F)c1O PI-27919 [1,0,0,0,0,0|1,0,0]=2 21 B14R1.362 COC1=CC(=CC(=C1Br)OC)C(=O)O PI-27709 [0,1,0,0,0,0|1,0,0]=2 22 B14R1.362 COC1=CC(=CC(=C1N)OC)C(=O)O PI-35866 [0,1,0,0,0,0|1,0,0]=2 23 B14R1.362 COC1=CC(=CC(=C1O)C=O)[N+](=O)[O-] PI-18255 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)O PI-11899 [0,1,0,0,0,0|0,0,0]=1 25 B14R1.362 COc1cc(cc(c1O)OC)C(=O)C PI-29393 [0,1,0,0,0,0|0,0,0]=1 26 B14R1.563 O=Cc1cc(OC)c(c(c1)[N+](=O)[O-])O PI-25779 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.576 COC1=CC(=C(C(=C1)OC)CN)OC PI-30151 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.576 COc1cc(C=O)cc(c1OC)OC PI-32436 [0,1,0,0,0,0|0,0,0]=1 29 B14R1.576 COc1cc(CN)cc(c1OC)OC PI-38557 [0,1,0,0,0,0|1,0,1]=3 30 B14R1.576 COc1cc(CO)cc(c1OC)OC PI-35235 [0,1,0,0,0,0|0,0,2]=3 31 B14R1.576 COc1cc(OC)cc(c1C=O)OC PI-16096 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.3236 COC1=CC(=CC(=C1O)C=O)CC=C PI-26324 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.3236 COC1=CC(=CC(=C1O)OC)CC#N PI-23239 [0,1,0,0,0,0|1,0,1]=3 34 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN PI-23237 [0,1,0,0,0,0|1,0,1]=3 35 B14R1.3236 COc1cc(CC=C)cc(c1O)OC PI-29836 [0,1,0,0,0,0|1,0,0]=2 36 B14R2.1101 COc1cc(C=O)cc2c1OCO2 PI-27022 [0,0,0,1,0,0|0,0,0]=1 37 B11R1.9 CC1=CC(=CC(=C1)OC)OC PI-23360 [2,0,0,0,0,0|0,0,1]=3 38 B11R1.9 COC1=CC(=CC(=C1)Cl)OC PI-34241 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.9 COC1=CC(=CC(=C1)N)OC PI-24022 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.9 COC1=CC(=NC(=C1)OC)N PI-16746 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.9 COC1=CC(C=O)=CC(C)=C1 PI-42609 [2,0,0,0,0,0|0,0,0]=2 42 B11R1.9 COc1cc(C=O)cc(c1)F PI-34291 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.9 COc1cc(OC)cc(c1)I PI-38256 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.9 COc1cc(OC)cc(c1)O PI-27638 [2,0,0,0,0,0|0,0,1]=3 45 B11R1.8 CC1=CC(=C(C(=C1)OC)C)C PI-19293 [2,0,0,0,0,0|1,0,1]=4 46 B11R1.267 COC1=C(C(=CC=C1)OC)Br PI-34350 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.267 COC1=C(C(=CC=C1)OC)N PI-21281 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.14 C1=C(C=C(C(=C1Br)O)Br)C=O PI-16091 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.14 C1=C(C=C(C(=C1Cl)O)Cl)C=O PI-27364 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.14 C1=C(C=C(C(=C1F)O)F)C=O PI-26072 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.14 C1=C(C=C(C(=C1O)O)O)C=O PI-27152 [2,0,0,0,0,0|0,0,0]=2 52 B11R1.14 CC1=CC(=CC(=C1Br)C)C=O PI-12464 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.14 CC1=CC(=CC(=C1O)C)C=O PI-18354 [2,0,0,0,0,0|0,0,0]=2 54 B11R1.14 CC1=CC(=CC(=C1O)C)N=O PI-28113 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.14 N#Cc1cc(C)c(c(c1)C)O PI-27581 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.14 O=Cc1cc(I)c(O)c(I)c1 PI-27307 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.14 O=Cc1cc(O)c(c(c1)O)O PI-27325 [2,0,0,0,0,0|0,0,0]=2 58 B11R1.280 C1=CC(=C(C=C1C=O)C=O)O PI-27490 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.280 C1=CC(=CC(=C1C)OC)C=O PI-10103 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.280 CCC1=CC(=C(C=C1)O)OC PI-12830 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.280 COc1cc(C#N)ccc1O PI-29016 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.280 COc1cc(C=O)ccc1F PI-28101 [2,0,0,0,0,0|1,0,0]=3 63 B11R1.280 COc1cc(C=O)ccc1O PI-34109 [2,0,0,0,0,0|0,0,0]=2 64 B13R1.313 B(C1=CC(=CC(=C1)OC)OC)(O)O PI-25289 [1,1,0,0,0,0|1,0,1]=4 65 B13R1.313 CC(=O)C1=CC(=CC(=C1)OC)OC PI-11033 [1,1,0,0,0,0|0,0,0]=2 66 B13R1.313 COC1=CC(=CC(=C1)C(=O)Cl)OC PI-29201 [1,1,0,0,0,0|0,0,0]=2 67 B13R1.313 COC1=CC(=CC(=C1)C(=S)N)OC PI-23357 [1,1,0,0,0,0|0,1,0]=3 68 B13R1.313 COc1cc(OC)cc(c1)C(=O)O PI-33402 [1,1,0,0,0,0|0,0,0]=2 69 B13R1.313 COc1nc(OC)nc(c1)C(=O)O PI-23339 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.358 COC1=CC(=CC(=C1)N=C=S)OC PI-23296 [1,1,0,0,0,0|0,1,1]=4 71 B13R1.358 N#CCc1cc(OC)cc(OC)c1 PI-23276 [1,1,0,0,0,0|1,0,1]=4 72 B13R1.302 CC1=CC(=C(C(=C1)OC)C=O)OC PI-27851 [1,1,0,0,0,0|0,0,2]=4 73 B13R1.302 CC1=CC(=C(C(=C1)OC)OC)OC PI-12306 [1,1,0,0,0,0|0,0,1]=3 74 B13R1.302 COC1=CC(=CC(=C1C=O)OC)O PI-18347 [1,1,0,0,0,0|0,0,2]=4 75 B13R1.302 COc1c(OC)cc(N)cc1OC PI-34370 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.302 COc1c(OC)cc(cc1OC)O PI-38591 [1,1,0,0,0,0|0,0,1]=3 77 B13R1.302 COc1cc(Br)cc(OC)c1OC PI-15614 [1,1,0,0,0,0|1,0,0]=3 78 B13R1.425 COC1=C(C(=C(C(=C1)C=O)Br)Br)O PI-27440 [1,1,0,0,0,0|1,0,0]=3 79 B13R1.434 COC1=C(C(=CC(=C1)C=O)Br)OC PI-27852 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.434 COC1=C(C(=CC(=C1)C=O)I)OC PI-27475 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.434 COC1=CC(=CC(=C1OC)O)C=O PI-27442 [1,1,0,0,0,0|0,0,0]=2 82 B13R1.437 C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=O PI-34303 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.3981 CCOC1=C(C(=CC(=C1)C=O)Br)O PI-27465 [1,1,0,0,0,0|1,0,0]=3 84 B15R1.378 B(C1=CC(=C(C(=C1)OC)OC)OC)(O)O PI-11582 [0,2,0,0,0,0|1,0,1]=4 85 B15R1.378 CC(=O)C1=CC(=C(C(=C1)OC)OC)OC PI-29067 [0,2,0,0,0,0|0,0,0]=2 86 B15R1.378 COC1=CC(=CC(=C1OC)OC)C(=O)N PI-30458 [0,2,0,0,0,0|0,0,0]=2 87 B15R1.378 COc1cc(cc(OC)c1OC)C(=O)O PI-31878 [0,2,0,0,0,0|0,0,0]=2 88 B15R1.383 COC1=CC(=CC(=C1O)OC)C(=O)NN PI-23235 [0,2,0,0,0,0|0,0,0]=2 89 B15R1.383 COC1=CC(=CC(=C1O)OC)C(=O)OC PI-18958 [0,2,0,0,0,0|0,0,0]=2 90 B15R1.733 COC1=CC(=CC(=C1OC)[N+](=O)[O-])C=O PI-27347 [0,2,0,0,0,0|2,0,0]=4 91 B15R1.3655 CCOc1cc(C=O)cc([N+](=O)[O-])c1O PI-34026 [0,2,0,0,0,0|2,0,0]=4 92 B15R1.3705 CNCC1=CC(=C(C(=C1)OC)OC)OC PI-30748 [0,2,0,0,0,0|1,0,1]=4 93 B15R1.3705 COC1=CC(=CC(=C1OC)OC)C=NO PI-27551 [0,2,0,0,0,0|0,0,1]=3 94 B15R1.3705 N#CCC1=CC(OC)=C(OC)C(OC)=C1 PI-28114 [0,2,0,0,0,0|1,0,1]=4 95 B15R1.10175 COC1=CC(=C(C(=C1)OC)C(=O)O)OC PI-17214 [0,2,0,0,0,0|2,0,0]=4 96 B15R1.390 COc1cc(CC(=O)O)cc(c1O)OC PI-23238 [0,2,0,0,0,0|0,0,0]=2 97 B15R2.4367 COC1=CC(=CC2=C1OCO2)CC=C PI-41948 [0,1,0,1,0,0|1,0,0]=3 98 B13R1.2422 CC1=C(C=CC(=C1OC)C=O)OC PI-27868 [0,0,0,0,1,1|1,0,0]=3