0 B12R2.5234 C[C@@]12OC([C@@H](CC1)CC2)(C)C CHEBI:27961 [0,0,0,0,0,0|0,0,0]=0 1 B13R2.10768 C[C@@]12CC[C@@H](CC1=O)C(O2)(C)C CHEBI:16123 [0,1,0,0,0,0|0,0,1]=2 2 B13R2.10768 C[C@@]12CC[C@@H](C[C@@H]1O)C(O2)(C)C CHEBI:16271 [0,1,0,0,0,0|0,0,0]=1 3 B13R2.10768 C[C@@]12CC[C@@H](C[C@H]1O)C(O2)(C)C CHEBI:35811 [0,1,0,0,0,0|0,0,0]=1 4 B11R1.19 CC1=CCC(CC1)C(C)(C)O CHEBI:22469 [0,0,1,0,0,0|0,0,2]=3 5 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)O CHEBI:300 [0,0,1,0,0,0|0,0,2]=3 6 B11R1.19 CC1=CC[C@H](CC1)C(C)(C)O CHEBI:128 [0,0,1,0,0,0|0,0,2]=3 7 B11R1.727 CC(=C)C1CCC(CC1)(C)O CHEBI:132899 [0,0,1,0,0,0|0,0,2]=3 8 B11R1.1072 CC1(CCCC(O1)(C)C=C)C CHEBI:132848 [0,0,1,0,0,0|0,0,2]=3 9 B11R2.1530 CC1(CC2(CCC1C2)C)C CHEBI:36611 [0,0,0,0,1,0|1,0,0]=2 10 B11R2.2357 CC1(C2CCC1(CC2)C)C CHEBI:35783 [0,0,0,0,1,0|0,0,0]=1 11 B11R2.2357 C[C@@]12C([C@@H](CC1)CC2)(C)C CHEBI:41341 [0,0,0,0,1,0|0,0,0]=1 12 B10R1.13 CC(C)C1CCC(=C)CC1 CHEBI:59156 [1,0,1,0,0,0|0,0,2]=4 13 B10R1.13 CC1=CCC(CC1)C(C)C CHEBI:134312 [1,0,1,0,0,0|0,0,2]=4 14 B10R1.13 CC1=CC[C@H](CC1)C(C)C CHEBI:134313 [1,0,1,0,0,0|0,0,2]=4 15 B10R1.13 CC1CCC(CC1)C(C)C CHEBI:25826 [1,0,1,0,0,0|0,0,0]=2 16 B10R1.13 C[C@@H]1CC[C@H](C=C1)C(C)C CHEBI:59157 [1,0,1,0,0,0|0,0,2]=4 17 B12R1.126 CC1CCC(C(C1)O)C(C)(C)O CHEBI:48250 [0,1,1,0,0,0|0,0,0]=2 18 B12R1.126 C[C@@H]1CC[C@@H]([C@@H](C1)O)C(C)(C)O CHEBI:48258 [0,1,1,0,0,0|0,0,0]=2 19 B12R1.126 C[C@@H]1CC[C@@H]([C@H](C1)O)C(C)(C)O CHEBI:48260 [0,1,1,0,0,0|0,0,0]=2 20 B12R1.126 C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)O CHEBI:16053 [0,1,1,0,0,0|0,0,0]=2 21 B12R1.126 C[C@@H]1CC[C@H]([C@H](C1)O)C(C)(C)O CHEBI:48256 [0,1,1,0,0,0|0,0,0]=2 22 B12R1.126 C[C@H]1CC[C@@H]([C@@H](C1)O)C(C)(C)O CHEBI:48255 [0,1,1,0,0,0|0,0,0]=2 23 B12R1.126 C[C@H]1CC[C@@H]([C@H](C1)O)C(C)(C)O CHEBI:48251 [0,1,1,0,0,0|0,0,0]=2 24 B12R1.1274 CC(=C)C1CCC(C(C1)O)(C)O CHEBI:17219 [0,1,1,0,0,0|0,0,2]=4 25 B12R1.1274 CC(=C)[C@@H]1CC[C@]([C@H](C1)O)(C)O CHEBI:18515 [0,1,1,0,0,0|0,0,2]=4 26 B12R1.1274 CC(=C)[C@H]1CC[C@@]([C@@H](C1)O)(C)O CHEBI:50244 [0,1,1,0,0,0|0,0,2]=4 27 B12R1.3825 CC(C)C1CCC(CC1)(C)OO CHEBI:59627 [0,1,1,0,0,0|0,0,0]=2 28 B12R2.509 CC1(C2CCC(C2)(C1=O)C)C CHEBI:4999 [0,1,0,0,1,0|1,0,0]=3 29 B12R2.509 C[C@@]12CC[C@@H](C1)C(C2=O)(C)C CHEBI:36612 [0,1,0,0,1,0|1,0,0]=3 30 B12R2.509 C[C@]12CC[C@H](C1)C(C2=O)(C)C CHEBI:165 [0,1,0,0,1,0|1,0,0]=3 31 B12R2.509 C[C@]12CC[C@H](C1)C([C@H]2O)(C)C CHEBI:15405 [0,1,0,0,1,0|1,0,0]=3 32 B12R2.2786 CC1(C2CCC1(C(=O)C2)C)C CHEBI:36773 [0,1,0,0,1,0|0,0,1]=3 33 B12R2.2786 CC1(C2CCC1(C(C2)O)C)C CHEBI:28093 [0,1,0,0,1,0|0,0,0]=2 34 B12R2.2786 C[C@@]12CC[C@@H](C1(C)C)CC2=O CHEBI:15396 [0,1,0,0,1,0|0,0,1]=3 35 B12R2.2786 C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O CHEBI:15393 [0,1,0,0,1,0|0,0,0]=2 36 B12R2.2786 C[C@]12CC[C@H](C1(C)C)CC2=O CHEBI:15397 [0,1,0,0,1,0|0,0,1]=3 37 B12R2.2786 C[C@]12CC[C@H](C1(C)C)C[C@H]2O CHEBI:15394 [0,1,0,0,1,0|0,0,0]=2 38 B14R2.22542 CC1(C2CCC(O1)(OC(=O)C2)C)C CHEBI:29064 [0,1,0,0,0,1|0,0,1]=3 39 B10R0.60 CC(CCCC(C)(C)O)C=C CHEBI:87528 [0,0,2,0,0,0|0,0,2]=4 40 B10R0.65 CCC(C)(CCCC(C)C)O CHEBI:84242 [0,0,2,0,0,0|0,0,0]=2 41 B12R2.3180 CC(=C)C1CCC2(C(C1)O2)C CHEBI:16431 [0,0,1,1,0,0|0,0,2]=4 42 B12R2.3180 CC(=C)[C@@H]1CCC2(C(C1)O2)C CHEBI:35672 [0,0,1,1,0,0|0,0,2]=4 43 B12R2.3180 CC(=C)[C@@H]1CC[C@@]2([C@H](C1)O2)C CHEBI:35669 [0,0,1,1,0,0|0,0,2]=4 44 B12R2.3180 CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C CHEBI:43812 [0,0,1,1,0,0|0,0,2]=4 45 B12R2.3199 CC(C)C1CCC2(CC1)CO2 CHEBI:59155 [0,0,1,1,0,0|0,0,0]=2 46 B12R2.6448 CC([C@@]12O[C@@](CC1)(CC2)C)C CHEBI:80788 [0,0,1,1,0,0|0,0,0]=2 47 B12R2.6452 CC(C)C12CCC(C1C2)(C)O CHEBI:16377 [0,0,1,1,0,0|0,0,0]=2 48 B12R3.4045 CC1(C2CC3C1(C3C2)C)C CHEBI:64266 [0,0,0,1,1,0|0,0,0]=2