0 B11R1.21 CC1=CCC(CC1=O)C(=C)C CHEBI:38265 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.21 CC1=CCC(CC1O)C(=C)C CHEBI:23046 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.21 CC1=CC[C@@H](CC1=O)C(=C)C CHEBI:15399 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.21 CC1=CC[C@@H](C[C@@H]1O)C(=C)C CHEBI:232 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.21 CC1=CC[C@@H](C[C@H]1O)C(=C)C CHEBI:15388 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.21 CC1=CC[C@H](CC1=O)C(=C)C CHEBI:15400 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.21 CC1=CC[C@H](CC1=O)C(C)C CHEBI:61551 [0,0,0,0,0,0|0,0,4]=4 7 B11R1.21 CC1=CC[C@H](C[C@@H]1O)C(=C)C CHEBI:15389 [0,0,0,0,0,0|0,0,0]=0 8 B11R1.21 CC1=CC[C@H](C[C@H]1O)C(=C)C CHEBI:227 [0,0,0,0,0,0|0,0,0]=0 9 B11R1.21 CC1CCC(CC1=O)C(=C)C CHEBI:23733 [0,0,0,0,0,0|0,0,4]=4 10 B11R1.21 CC1CCC(CC1O)C(=C)C CHEBI:50215 [0,0,0,0,0,0|0,0,2]=2 11 B11R1.21 C[C@@H]1CC[C@@H](CC1=O)C(=C)C CHEBI:155 [0,0,0,0,0,0|0,0,4]=4 12 B11R1.21 C[C@@H]1CC[C@@H](C[C@@H]1O)C(=C)C CHEBI:153 [0,0,0,0,0,0|0,0,2]=2 13 B11R1.21 C[C@@H]1CC[C@@H](C[C@H]1O)C(=C)C CHEBI:150 [0,0,0,0,0,0|0,0,2]=2 14 B11R1.21 C[C@@H]1CC[C@H](CC1=C)C(=C)C CHEBI:59154 [0,0,0,0,0,0|1,0,3]=4 15 B11R1.21 C[C@@H]1CC[C@H](CC1=O)C(=C)C CHEBI:154 [0,0,0,0,0,0|0,0,4]=4 16 B11R1.21 C[C@@H]1CC[C@H](C[C@@H]1O)C(=C)C CHEBI:152 [0,0,0,0,0,0|0,0,2]=2 17 B11R1.21 C[C@@H]1CC[C@H](C[C@H]1O)C(=C)C CHEBI:149 [0,0,0,0,0,0|0,0,2]=2 18 B11R1.21 C[C@H]1CC[C@@H](CC1=O)C(=C)C CHEBI:168 [0,0,0,0,0,0|0,0,4]=4 19 B11R1.21 C[C@H]1CC[C@@H](C[C@@H]1O)C(=C)C CHEBI:50235 [0,0,0,0,0,0|0,0,2]=2 20 B11R1.21 C[C@H]1CC[C@@H](C[C@H]1O)C(=C)C CHEBI:158 [0,0,0,0,0,0|0,0,2]=2 21 B11R1.21 C[C@H]1CC[C@H](CC1=O)C(=C)C CHEBI:166 [0,0,0,0,0,0|0,0,4]=4 22 B11R1.21 C[C@H]1CC[C@H](C[C@@H]1O)C(=C)C CHEBI:50233 [0,0,0,0,0,0|0,0,2]=2 23 B11R1.21 C[C@H]1CC[C@H](C[C@H]1O)C(=C)C CHEBI:50232 [0,0,0,0,0,0|0,0,2]=2 24 B10R1.13 CC1=CC=C(CC1)C(=C)C CHEBI:89242 [1,0,0,0,0,0|0,0,2]=3 25 B10R1.13 CC1=CCC(=C(C)C)CC1 CHEBI:9457 [1,0,0,0,0,0|0,0,2]=3 26 B10R1.13 CC1=CCC(CC1)C(=C)C CHEBI:15384 [1,0,0,0,0,0|0,0,0]=1 27 B10R1.13 CC1=CCC(CC1)C(C)C CHEBI:134312 [1,0,0,0,0,0|0,0,2]=3 28 B10R1.13 CC1=CC[C@@H](CC1)C(=C)C CHEBI:15382 [1,0,0,0,0,0|0,0,0]=1 29 B10R1.13 CC1=CC[C@H](CC1)C(=C)C CHEBI:15383 [1,0,0,0,0,0|0,0,0]=1 30 B10R1.13 CC1=CC[C@H](CC1)C(C)C CHEBI:134313 [1,0,0,0,0,0|0,0,2]=3 31 B12R1.56 CC1=CC[C@@H](CC1OO)C(=C)C CHEBI:134505 [0,1,0,0,0,0|0,0,0]=1 32 B12R1.56 CC1CC[C@H](CC1OO)C(=C)C CHEBI:59623 [0,1,0,0,0,0|0,0,2]=3 33 B12R1.1005 CC1=C(C(=O)C[C@@H](C1)C(=C)C)C CHEBI:61552 [0,1,0,0,0,0|0,0,2]=3 34 B12R1.1274 CC(=C)C1CCC(C(C1)O)(C)O CHEBI:17219 [0,1,0,0,0,0|0,0,2]=3 35 B12R1.1274 CC(=C)[C@@H]1CC[C@]([C@H](C1)O)(C)O CHEBI:18515 [0,1,0,0,0,0|0,0,2]=3 36 B12R1.1274 CC(=C)[C@H]1CC[C@@]([C@@H](C1)O)(C)O CHEBI:50244 [0,1,0,0,0,0|0,0,2]=3 37 B12R2.3180 CC(=C)C1CCC2(C(C1)O2)C CHEBI:16431 [0,0,0,1,0,0|0,0,2]=3 38 B12R2.3180 CC(=C)[C@@H]1CCC2(C(C1)O2)C CHEBI:35672 [0,0,0,1,0,0|0,0,2]=3 39 B12R2.3180 CC(=C)[C@@H]1CC[C@@]2([C@H](C1)O2)C CHEBI:35669 [0,0,0,1,0,0|0,0,2]=3 40 B12R2.3180 CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C CHEBI:43812 [0,0,0,1,0,0|0,0,2]=3 41 B12R1.892 CC1CCC(COC1=O)C(=C)C CHEBI:64229 [0,0,0,0,0,1|3,0,0]=4 42 B12R1.892 C[C@@H]1CC[C@H](COC1=O)C(=C)C CHEBI:64230 [0,0,0,0,0,1|3,0,0]=4 43 B12R1.892 C[C@H]1CC[C@@H](COC1=O)C(=C)C CHEBI:64232 [0,0,0,0,0,1|3,0,0]=4 44 B12R1.892 C[C@H]1CC[C@H](COC1=O)C(=C)C CHEBI:64231 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.3 CC(=C)C1CCC(=CC1)C=O CHEBI:15421 [1,1,0,0,0,0|0,0,1]=3 46 B11R1.3 CC(=C)C1CCC(=CC1)CO CHEBI:15420 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.3 CC(=C)[C@H]1CCC(=CC1)CO CHEBI:10782 [1,1,0,0,0,0|0,0,0]=2 48 B11R1.19 CC1=CCC(CC1)C(C)(C)O CHEBI:22469 [1,1,0,0,0,0|0,0,2]=4 49 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)O CHEBI:300 [1,1,0,0,0,0|0,0,2]=4 50 B11R1.19 CC1=CC[C@H](CC1)C(C)(C)O CHEBI:128 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.22 CC1=CCC(CC1)C(C)C=O CHEBI:87568 [1,1,0,0,0,0|0,0,1]=3 52 B11R1.166 CC1=CC(=O)C(CC1)C(=C)C CHEBI:50110 [1,1,0,0,0,0|0,0,1]=3 53 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(=C)C CHEBI:6041 [1,1,0,0,0,0|0,0,1]=3 54 B11R1.166 CC1=CC(=O)[C@H](CC1)C(=C)C CHEBI:15408 [1,1,0,0,0,0|0,0,1]=3 55 B11R1.166 CC1=CC(C(CC1)C(=C)C)O CHEBI:24911 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.166 CC1=C[C@@H]([C@H](CC1)C(=C)C)O CHEBI:15406 [1,1,0,0,0,0|0,0,0]=2 57 B11R1.220 CC1=CCC(CC1)(C(C)C)O CHEBI:78884 [1,1,0,0,0,0|0,0,2]=4 58 B11R1.727 CC(=C)C1CCC(CC1)(C)O CHEBI:132899 [1,1,0,0,0,0|0,0,2]=4 59 B13R1.6806 CC1CC[C@H](CC1(C)OO)C(=C)C CHEBI:59624 [0,2,0,0,0,0|0,0,2]=4 60 B11R2.39 CC1=CCC2C(C1)C2(C)C CHEBI:35661 [1,0,0,1,0,0|0,0,2]=4 61 B11R2.39 CC1=CC[C@@H]2[C@H](C1)C2(C)C CHEBI:7 [1,0,0,1,0,0|0,0,2]=4 62 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C CHEBI:3381 [1,0,0,1,0,0|0,0,2]=4 63 B11R2.533 CC1=CCC2CC1C2(C)C CHEBI:36740 [1,0,0,1,0,0|0,0,2]=4 64 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C CHEBI:28261 [1,0,0,1,0,0|0,0,2]=4 65 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C CHEBI:28660 [1,0,0,1,0,0|0,0,2]=4 66 B11R2.746 CC1=CCC2(C1C2)C(C)C CHEBI:50031 [1,0,0,1,0,0|0,0,2]=4 67 B11R2.746 CC1=CC[C@@]2([C@H]1C2)C(C)C CHEBI:50032 [1,0,0,1,0,0|0,0,2]=4 68 B11R2.746 CC1=CC[C@]2([C@@H]1C2)C(C)C CHEBI:50033 [1,0,0,1,0,0|0,0,2]=4 69 B13R2.524 CC1=CC[C@H](CC12CO2)C(=C)C CHEBI:59102 [0,1,0,1,0,0|0,0,0]=2 70 B13R2.524 C[C@@H]1CC[C@H](CC12CO2)C(=C)C CHEBI:59153 [0,1,0,1,0,0|0,0,2]=4