0 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)Br S5444 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O S3975 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O S3788 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.13 CC1=CC=C(C=C1)C(C)C S5598 [1,0,0,0,0,0|0,0,0]=1 4 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O S6367 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.176 C1=CC(=C(C=C1C=O)O)O S3952 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)O S3210 [0,1,0,0,0,0|1,0,1]=3 7 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)O S3210 [0,1,0,0,0,0|1,0,1]=3 8 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O S5162 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC S2425 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC S2425 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C S4761 [0,1,0,0,0,0|0,0,1]=2 12 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S2615 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S2615 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S5750 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S5750 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S9507 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)O S3869 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.1021 CC(C)C1=CC(=O)C(=CC=C1)O S4771 [0,0,0,0,0,1|1,0,1]=3 19 B9R1.1 C1=CC(=CC=C1CO)O S3857 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.1 CCC1=CC=C(C=C1)O S6308 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.1 COC1=CC=C(C=C1)O S4077 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.1 COC1=CC=C(C=C1)O S4077 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.6 CC(C1=CC=CC=C1)N S6260 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.2 C1=CC(=CC(=C1)O)CO S6363 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.69 CC1=CC(=C(C=C1)O)O S5616 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.3 CC(C)C1=CC=C(C=C1)C=O S5089 [1,1,0,0,0,0|0,0,1]=3 28 B11R1.3 CC(C)C1=CC=C(C=C1)CO S5090 [1,1,0,0,0,0|0,0,0]=2 29 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)O S5173 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O S5157 [1,1,0,0,0,0|0,0,0]=2 33 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)O S9374 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.279 COC1=C(C=C(C=C1)C=O)O S4943 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.279 COC1=CC(=C(C=C1)C=O)O S5156 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.280 COC1=C(C=CC(=C1)CO)O S3859 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2521 [0,2,0,0,0,0|2,0,0]=4 42 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2521 [0,2,0,0,0,0|2,0,0]=4 43 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2521 [0,2,0,0,0,0|2,0,0]=4 44 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2522 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2522 [0,2,0,0,0,0|2,0,0]=4 46 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2523 [0,2,0,0,0,0|2,0,0]=4 47 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S3061 [0,2,0,0,0,0|2,0,0]=4