0 B11R1.280 COC1=C(C=CC(=C1)C=O)O S3071 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.280 COC1=C(C=CC(=C1)CO)O S3859 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.176 C1=CC(=C(C=C1C=O)O)O S3952 [1,0,0,0,0,0|0,0,0]=1 3 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC S2425 [0,1,0,0,0,0|0,0,0]=1 4 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC S2425 [0,1,0,0,0,0|0,0,0]=1 5 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O S5343 [0,1,0,0,0,0|0,0,0]=1 6 B12R1.78 COC1=C(C=C(C=C1)C=O)OC S3214 [0,1,0,0,0,0|0,0,0]=1 7 B12R1.78 COC1=C(C=C(C=C1)C=O)OC S3214 [0,1,0,0,0,0|0,0,0]=1 8 B12R1.78 COC1=C(C=C(C=C1)CO)OC S3213 [0,1,0,0,0,0|0,0,2]=3 9 B12R1.270 CCOC1=C(C=CC(=C1)C=O)O S4568 [0,1,0,0,0,0|0,0,0]=1 10 B12R1.270 CCOC1=C(C=CC(=C1)C=O)O S4568 [0,1,0,0,0,0|0,0,0]=1 11 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC S5757 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.286 COC1=C(C=CC(=C1)CC=C)O S4706 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.286 COC1=C(C=CC(=C1)CC=C)O S4706 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.2 C1=CC(=CC(=C1)O)CO S6363 [2,0,0,0,0,0|0,0,2]=4 15 B9R1.15 C1=CC=C(C(=C1)CO)O S5562 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.15 COC1=CC=CC=C1O S3872 [2,0,0,0,0,0|0,0,0]=2 17 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.69 CC1=C(C=CC(=C1)O)Cl S4209 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.69 CC1=CC(=C(C=C1)O)O S5616 [2,0,0,0,0,0|0,0,1]=3 22 B9R1.1 C1=CC(=CC=C1C=O)O S6008 [2,0,0,0,0,0|0,0,0]=2 23 B9R1.1 C1=CC(=CC=C1CO)O S3857 [2,0,0,0,0,0|0,0,2]=4 24 B9R1.1 CCC1=CC=C(C=C1)O S6308 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.1 COC1=CC=C(C=C1)O S4077 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 COC1=CC=C(C=C1)O S4077 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)O S9374 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.9 COC1=CC(=CC(=C1)O)OC S6071 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.266 COC1=CC=CC(=C1)C(=O)N S5449 [1,1,0,0,0,0|0,0,0]=2 30 B11R1.266 COC1=CC=CC(=C1)C(=O)O S6025 [1,1,0,0,0,0|0,0,0]=2 31 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)O S6361 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)Br S5444 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O S3975 [1,1,0,0,0,0|0,0,0]=2 34 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O S6297 [1,1,0,0,0,0|0,0,0]=2 35 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [1,1,0,0,0,0|0,0,2]=4 38 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [1,1,0,0,0,0|0,0,2]=4 39 B11R1.279 COC1=C(C=C(C=C1)C=O)O S4943 [1,1,0,0,0,0|0,0,0]=2 40 B13R1.13 CC(=O)C1=CC(=C(C=C1)O)C(=O)O S4789 [0,2,0,0,0,0|2,0,0]=4 41 B13R1.49 COC1=C(C=CC(=C1)C(=O)OC)O S3630 [0,2,0,0,0,0|0,0,0]=2 42 B13R1.50 COC1=CC(=CC=C1O)[S]([O-])(=O)=O S4899 [0,2,0,0,0,0|1,0,0]=3 43 B13R1.3091 COC1=C(C=C(C=C1)C(=O)O)OC S3969 [0,2,0,0,0,0|0,0,0]=2 44 B13R1.386 COC1=C(C=C(C=C1)CC=C)OC S5755 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O S5642 [0,2,0,0,0,0|0,0,0]=2 46 B13R1.575 COC1=C(C=CC(=C1)C=CC=O)O S9221 [0,2,0,0,0,0|0,0,0]=2 47 B13R1.575 COC1=C(C=CC(=C1)C=CCO)O S6429 [0,2,0,0,0,0|0,0,1]=3 48 B13R1.575 COC1=C(C=CC(=C1)C=CCO)O S6429 [0,2,0,0,0,0|0,0,1]=3 49 B13R1.433 COC1=CC(=CC(=C1O)OC)C=O S4765 [0,2,0,0,0,0|0,0,0]=2 50 B13R1.433 COC1=CC(=CC(=C1O)OC)CO S4942 [0,2,0,0,0,0|0,0,2]=4 51 B11R2.36 C1OC2=C(O1)C=C(C=C2)O S3626 [1,0,0,1,0,0|0,0,1]=3