0 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.1 C1=CC(=CC=C1C=O)O S6008 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.1 C1=CC(=CC=C1CO)O S3857 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.1 CCC1=CC=C(C=C1)O S6308 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.1 COC1=CC=C(C=C1)O S4077 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.1 COC1=CC=C(C=C1)O S4077 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 C1=CC=C(C=C1)CCN S5346 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 C1=CC=C(C=C1)CCN S5347 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.1 C1=CC(=CC=C1CCCO)O S5835 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.20 C1=CC(=CC=C1CC(=O)O)O S4863 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.22 CCC(=O)C1=CC=C(C=C1)O S5396 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.22 COC(=O)C1=CC=C(C=C1)O S3985 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.83 CC=CC1=CC=C(C=C1)OC S3779 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.83 CC=CC1=CC=C(C=C1)OC S3779 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.83 CC=CC1=CC=C(C=C1)OC S3990 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.83 COC1=CC=C(C=C1)CC=C S5339 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [0,1,0,0,0,0|2,0,0]=3 28 B11R2.36 C1OC2=C(O1)C=C(C=C2)O S3626 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|1,0,1]=4 30 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.3 C1=CC(=CC=C1Cl)Cl S6300 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.3 C1=CC(=CC=C1O)O S4580 [2,0,0,0,0,0|0,0,0]=2 34 B8R1.3 C1=CC(=CC=C1O)O S4580 [2,0,0,0,0,0|0,0,0]=2 35 B8R1.3 CC1=CC=C(O)C=C1 S6017 [2,0,0,0,0,0|0,0,0]=2 36 B10R1.3 COC1=CC=C(C=C1)C=O S5086 [1,1,0,0,0,0|0,0,1]=3 37 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O S6196 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.13 CC1=CC=C(C=C1)C(C)C S5598 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CO S6067 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.176 C1=C(OC=C(C1=O)O)CO S5174 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.176 C1=CC(=C(C=C1C=O)O)O S3952 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.17 CNCCC1=CC=CC=N1 S5498 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.17 CNCCC1=CC=CC=N1 S5619 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4210 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4669 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4669 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,2,0,0,0,0|0,0,0]=2 52 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,2,0,0,0,0|0,0,0]=2 53 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2362 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O S3795 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O S9480 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.69 CCCCC1=C(C=C(C=C1)O)O S4997 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr S3678 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S2615 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S2615 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S5750 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S5750 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S9507 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)O S3869 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN S5324 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN S5324 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC S5757 [0,2,0,0,0,0|1,0,1]=4 77 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|2,0,0]=4 78 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|2,0,0]=4