0 B13R1.433 CCC1=CC(C=O)=CC(CC)=C1O 30931 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.433 COC1=CC(C=O)=CC(OC)=C1Br 8056 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.433 COC1=CC(CO)=CC(OC)=C1Br 13622 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.58 C#CC1=CC(OC)=CC(OC)=C1 29058 [1,0,0,0,0,0|1,0,1]=3 4 B12R1.58 COC1=CC(C#N)=CC(OC)=C1 3122 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.58 COC1=CC(C=O)=CC(C=O)=C1 20489 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 2645 [1,0,0,0,0,0|0,0,0]=1 7 B12R1.58 COC1=CC(CBr)=CC(OC)=C1 13588 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.58 COC1=CC(CN)=CC(OC)=C1 7393 [1,0,0,0,0,0|1,0,1]=3 9 B12R1.58 COC1=CC(CO)=CC(OC)=C1 7732 [1,0,0,0,0,0|0,0,2]=3 10 B12R1.58 COC1=CC(OC)=CC(OC)=C1 16522 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.235 COC1=CC(=O)C=C(OC)C1=O 35780 [1,0,0,0,0,0|0,0,1]=2 12 B12R1.235 COC1=CC(O)=CC(OC)=C1O 3024 [1,0,0,0,0,0|0,0,1]=2 13 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 8197 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.300 COC1=CC(C=O)=CC(F)=C1F 30893 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.300 COC1=CC(C=O)=CC(F)=C1O 10464 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.300 COC1=CC(C=O)=CC(O)=C1O 8233 [1,0,0,0,0,0|0,0,0]=1 17 B14R1.362 COC1=CC(C(=O)O)=CC(OC)=C1O 2673 [0,1,0,0,0,0|0,0,0]=1 18 B14R1.362 COC1=CC(C(C)=O)=CC(OC)=C1O 35337 [0,1,0,0,0,0|0,0,0]=1 19 B14R1.563 COC1=C(O)C([N+](=O)[O-])=CC(C=O)=C1 8206 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.576 C#CC1=CC(OC)=C(OC)C(OC)=C1 34300 [0,1,0,0,0,0|1,0,1]=3 21 B14R1.576 COC1=CC(C#N)=CC(OC)=C1OC 13110 [0,1,0,0,0,0|1,0,1]=3 22 B14R1.576 COC1=CC(C=O)=CC(OC)=C1OC 8266 [0,1,0,0,0,0|0,0,0]=1 23 B14R1.576 COC1=CC(CN)=CC(OC)=C1OC 16674 [0,1,0,0,0,0|1,0,1]=3 24 B14R1.576 COC1=CC(OC)=C(C=O)C(OC)=C1 8264 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.576 COC1=CC(OC)=C(CN)C(OC)=C1 7389 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.3236 C=CCC1=CC(C=O)=C(O)C(OC)=C1 36152 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.9 CC1=CC(C#N)=CC(C=O)=C1 17465 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.9 CCC1=CC(OC)=CC(=O)O1 23480 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.9 COC1=CC(Br)=CC(OC)=C1 25408 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.9 COC1=CC(C)=CC(C#N)=C1 25377 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.9 COC1=CC(C)=CC(C=O)=C1 28420 [2,0,0,0,0,0|0,0,0]=2 32 B11R1.9 COC1=CC(C)=CC(OC)=C1 17775 [2,0,0,0,0,0|0,0,1]=3 33 B11R1.9 COC1=CC(C=O)=CC(Br)=C1 30933 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.9 COC1=CC(C=O)=CC(Cl)=C1 30902 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.9 COC1=CC(C=O)=CC(F)=C1 25242 [2,0,0,0,0,0|1,0,0]=3 36 B11R1.9 COC1=CC(Cl)=CC(OC)=C1 3042 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.9 COC1=CC(Cl)=NC(OC)=C1 25791 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.9 COC1=CC(F)=CC(OC)=C1 3049 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.9 COC1=CC(I)=CC(OC)=C1 4400 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.9 COC1=CC(N)=CC(OC)=C1 4423 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.9 COC1=CC(O)=CC(OC)=C1 16421 [2,0,0,0,0,0|0,0,1]=3 42 B11R1.9 O=CC1=CC(O)=CC(C=O)=C1 44717 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.8 COC1=C(C)C(C)=CC(C)=C1 2688 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.8 COC1=C(N)C(C)=CC(Br)=C1 19713 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.267 COC1=CC=CC(C#N)=C1O 19922 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.267 COC1=CC=CC(CO)=C1O 10255 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.267 COC1=CC=CC(OC)=C1Br 25397 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.267 COC1=CC=CC(OC)=C1C 4545 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.267 COC1=CC=CC(OC)=C1Cl 4405 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.267 COC1=CC=CC(OC)=C1N 4419 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.267 COC1=CC=CC(OC)=C1O 10985 [2,0,0,0,0,0|0,0,0]=2 52 B11R1.267 COC1=CN=CC(OC)=C1N 34187 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.14 CC1=CC(C#N)=CC(C)=C1O 11065 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.14 CC1=CC(C=O)=CC(C)=C1Br 4166 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.14 CC1=CC(C=O)=CC(C)=C1N 15498 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.14 CC1=CC(C=O)=CC(C)=C1O 8252 [2,0,0,0,0,0|0,0,0]=2 57 B11R1.14 O=CC1=CC(Br)=C(O)C(F)=C1 30897 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.14 O=CC1=CC(Br)=C(O)C(O)=C1 27759 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.14 O=CC1=CC(F)=C(F)C(O)=C1 30927 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.14 O=CC1=CC(F)=C(O)C(F)=C1 17015 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.14 O=CC1=CC(I)=C(O)C(I)=C1 28413 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.14 O=CC1=CC(O)=C(O)C(O)=C1 21300 [2,0,0,0,0,0|0,0,0]=2 63 B11R1.14 O=CC1=CC(O)=C(O)C(O)=C1 8268 [2,0,0,0,0,0|0,0,0]=2 64 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 28101 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 30968 [2,0,0,0,0,0|1,0,0]=3 66 B11R1.280 COC1=C(C)C=CC(C=O)=C1 2646 [2,0,0,0,0,0|1,0,0]=3 67 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 30916 [2,0,0,0,0,0|1,0,0]=3 68 B11R1.280 COC1=C(F)C=CC(C=O)=C1 1449 [2,0,0,0,0,0|1,0,0]=3 69 B11R1.280 COC1=C(O)C=CC(C#N)=C1 13112 [2,0,0,0,0,0|1,0,1]=4 70 B11R1.280 COC1=C(O)C=CC(C=O)=C1 25440 [2,0,0,0,0,0|0,0,0]=2 71 B11R1.280 COC1=C(O)C=CC(CN)=C1 7385 [2,0,0,0,0,0|1,0,1]=4 72 B13R1.313 COC1=CC(C(=O)O)=NC(OC)=N1 7186 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.313 COC1=CC(OC)=CC(B(O)O)=C1 1827 [1,1,0,0,0,0|1,0,1]=4 74 B13R1.313 COC1=CC(OC)=CC(C(=O)O)=C1 3121 [1,1,0,0,0,0|0,0,0]=2 75 B13R1.313 COC1=CC(OC)=CC(C(C)=O)=C1 3391 [1,1,0,0,0,0|0,0,0]=2 76 B13R1.313 COC1=CC(OC)=CC([N+](=O)[O-])=C1 25428 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.313 COC1=CC(OC)=NC(C(=O)O)=N1 22081 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.358 COC1=CC(CC#N)=CC(OC)=C1 16207 [1,1,0,0,0,0|1,0,1]=4 79 B13R1.302 COC1=CC(Br)=CC(OC)=C1C=O 36279 [1,1,0,0,0,0|1,0,1]=4 80 B13R1.302 COC1=CC(Br)=CC(OC)=C1OC 10980 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.302 COC1=CC(C)=CC(OC)=C1OC 13665 [1,1,0,0,0,0|0,0,1]=3 82 B13R1.302 COC1=CC(N)=CC(OC)=C1OC 28339 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.302 COC1=CC(O)=CC(OC)=C1C=O 8227 [1,1,0,0,0,0|0,0,2]=4 84 B13R1.434 COC1=C(OC)C(I)=CC(C=O)=C1 30894 [1,1,0,0,0,0|1,0,0]=3 85 B13R1.434 COC1=C(OC)C(O)=CC(C=O)=C1 8241 [1,1,0,0,0,0|0,0,0]=2 86 B13R1.434 COC1=CC(C=O)=CC(Br)=C1OC 25905 [1,1,0,0,0,0|1,0,0]=3 87 B13R1.437 O=CC1=CC(O)=C(O)C([N+](=O)[O-])=C1 8235 [1,1,0,0,0,0|2,0,0]=4 88 B15R1.378 COC1=CC(B(O)O)=CC(OC)=C1OC 7894 [0,2,0,0,0,0|1,0,1]=4 89 B15R1.378 COC1=CC(C(=O)Cl)=CC(OC)=C1OC 22153 [0,2,0,0,0,0|0,0,0]=2 90 B15R1.378 COC1=CC(C(=O)O)=CC(OC)=C1OC 11527 [0,2,0,0,0,0|0,0,0]=2 91 B15R1.378 COC1=CC(C(C)=O)=CC(OC)=C1OC 22820 [0,2,0,0,0,0|0,0,0]=2 92 B15R1.383 COC(=O)C1=CC(OC)=C(O)C(OC)=C1 35413 [0,2,0,0,0,0|0,0,0]=2 93 B15R1.690 COC1=CC(C(=O)O)=C(F)C(OC)=C1F 15064 [0,2,0,0,0,0|1,0,0]=3 94 B15R1.733 COC1=C(OC)C([N+](=O)[O-])=CC(C=O)=C1 17014 [0,2,0,0,0,0|2,0,0]=4 95 B15R1.3705 COC1=CC(CC#N)=CC(OC)=C1OC 14019 [0,2,0,0,0,0|1,0,1]=4 96 B15R1.10175 COC1=CC(OC)=C(B(O)O)C(OC)=C1 9566 [0,2,0,0,0,0|2,0,0]=4 97 B15R1.10175 COC1=CC(OC)=C(C(=O)O)C(OC)=C1 13726 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.2200 COC1=CC(C=O)=C(OC)C=C1Br 2068 [0,0,0,0,1,1|1,0,0]=3 99 B13R1.2422 COC1=C(Cl)C(OC)=C(C=O)C=C1 4203 [0,0,0,0,1,1|1,0,0]=3