0 B12R2.2786 CC1(C)C2CCC1(C)C(O)C2 C01411 [0,0,0,0,0,0|0,0,2]=2 1 B12R2.2786 CC1(C)C2CC[C@@]1(C)C(=O)C2 C00808 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.2786 CC12CCC(CC1=O)C2(C)C C00809 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.2786 CC12CCC(CC1=O)C2(C)C C18369 [0,0,0,0,0,0|0,0,0]=0 4 B12R2.2786 [C@@H]1(O)CC2CCC1(C)C2(C)C C01766 [0,0,0,0,0,0|0,0,2]=2 5 B12R2.2786 [C@H]1(O)CC2CCC1(C)C2(C)C C01765 [0,0,0,0,0,0|0,0,2]=2 6 B13R2.11579 CC1(C)C2CCC1(C)[C@](C)(O)C2 C20243 [0,1,0,0,0,0|0,0,2]=3 7 B13R2.12951 CC1(C)C2CC(=O)[C@]1(C)C(O)C2 C20322 [0,1,0,0,0,0|0,0,0]=1 8 B13R2.12951 CC1(C)C2CC(=O)[C@]1(C)C(O)C2 C20323 [0,1,0,0,0,0|0,0,0]=1 9 B13R2.12951 CC12C(=O)CC(CC1=O)C2(C)C C20320 [0,1,0,0,0,0|0,0,1]=2 10 B13R2.13409 CC12CC(=O)C(CC1=O)C2(C)C C03037 [0,1,0,0,0,0|0,0,1]=2 11 B13R2.13409 CC12CC(O)C(CC1=O)C2(C)C C03448 [0,1,0,0,0,0|0,0,0]=1 12 B13R2.16542 CC12CCC(C(=O)C1=O)C2(C)C C14515 [0,1,0,0,0,0|0,0,1]=2 13 B13R2.16844 CC1(C)C2CCC1(C=O)C(=O)C2 C18352 [0,1,0,0,0,0|0,0,1]=2 14 B11R1.21 C=C(C)C1CCC(C)C(=O)C1 C18018 [0,0,1,0,0,0|0,0,2]=3 15 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1 C11398 [0,0,1,0,0,0|0,0,2]=3 16 B11R1.21 C=C(C)[C@@H]1CC[C@H](C)C(=O)C1 C11401 [0,0,1,0,0,0|0,0,2]=3 17 B11R1.21 C=C(C)[C@H]1CC[C@@H](C)C(=O)C1 C11412 [0,0,1,0,0,0|0,0,2]=3 18 B11R1.21 C=C(C)[C@H]1CC[C@H](C)C(=O)C1 C11415 [0,0,1,0,0,0|0,0,2]=3 19 B13R2.10768 CC1(C)OC2(C)CCC1CC2O C20326 [0,0,0,0,0,1|0,0,2]=3 20 B13R2.10768 CC1(C)OC2(C)CCC1C[C@@H]2O C03092 [0,0,0,0,0,1|0,0,2]=3 21 B13R2.10768 CC12CCC(CC1=O)C(C)(C)O2 C00848 [0,0,0,0,0,1|0,0,0]=1 22 B13R2.10846 CC12CCC(CC(=O)O1)C2(C)C C02108 [0,0,0,0,0,1|0,0,0]=1 23 B10R1.128 C[N+]1(C)CCC[C@@H]1C(=O)[O-] C21514 [1,0,1,0,0,0|2,0,0]=4 24 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] C10172 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.1274 C=C(C)C1CCC(C)(O)C(=O)C1 C18019 [0,1,1,0,0,0|0,0,2]=4 26 B12R1.1274 C=C(C)[C@@H]1CC[C@](C)(O)C(=O)C1 C11937 [0,1,1,0,0,0|0,0,2]=4 27 B12R1.1274 C=C(C)[C@H]1CC[C@@](C)(O)C(=O)C1 C19083 [0,1,1,0,0,0|0,0,2]=4 28 B14R2.13406 CC1(C)OC2(C)C(O)CC1CC2O C17620 [0,1,0,0,0,1|0,0,2]=4 29 B14R2.80483 CC12CC(=O)C(CC(=O)O1)C2(C)C C02952 [0,1,0,0,0,1|0,0,1]=3 30 B14R2.80483 CC12C[C@@H](O)C(CC(=O)O1)C2(C)C C03843 [0,1,0,0,0,1|0,0,0]=2 31 B12R2.1046 [C@H]12C[C@@]1(C(C)C)CC(=O)C2=C C01868 [0,0,1,1,0,0|0,0,2]=4 32 B12R2.1046 [C@H]12C[C@@]1(C(C)C)CC(=O)[C@@H]2C C09906 [0,0,1,1,0,0|0,0,0]=2 33 B12R2.1046 [C@H]12C[C@@]1(C(C)C)CC(=O)[C@H]2C C20260 [0,0,1,1,0,0|0,0,0]=2 34 B12R2.1046 [C@H]12C[C@@]1(C(C)C)C[C@H](O)[C@H]2C C20261 [0,0,1,1,0,0|0,0,2]=4 35 B12R2.2863 C=C1C(=O)CC2CC1C2(C)C C09884 [0,0,1,1,0,0|0,0,2]=4 36 B12R3.4045 CC1(C)C2CC3C(C2)C31C C20241 [1,0,0,1,0,0|0,0,1]=3 37 B12R1.892 C=C(C)[C@@H]1CC[C@H](C)C(=O)OC1 C11403 [0,0,1,0,0,1|0,0,2]=4 38 B12R1.892 C=C(C)[C@H]1CC[C@H](C)C(=O)OC1 C11418 [0,0,1,0,0,1|0,0,2]=4 39 B12R1.1218 C=C(C)[C@@H]1CC[C@@H](C)OC(=O)C1 C11402 [0,0,1,0,0,1|0,0,2]=4 40 B12R1.1218 C=C(C)[C@H]1CC[C@@H](C)OC(=O)C1 C11414 [0,0,1,0,0,1|0,0,2]=4 41 B12R1.1218 CC(C)[C@@H]1CC[C@@H](C)CC(=O)O1 C18027 [0,0,1,0,0,1|1,0,0]=3 42 B12R1.1218 CC1CCC(C(C)C)OC(=O)C1 C18066 [0,0,1,0,0,1|1,0,0]=3 43 B12R2.5234 CC12CCC(CC1)C(C)(C)O2 C09844 [1,0,0,0,0,1|0,0,1]=3 44 B14R2.22542 CC12CCC(CC(=O)O1)C(C)(C)O2 C04718 [0,0,0,0,0,2|0,0,0]=2