0 B10R0.3 CC(C)=CCC/C(C)=C/C=O T3154 [1,0,0,0,0,0|0,0,2]=3 1 B10R0.3 CC(C)=CCC/C(C)=C/CO T5665 [1,0,0,0,0,0|0,0,3]=4 2 B10R0.3 CC(C)=CCC/C(C)=C\CO T5645 [1,0,0,0,0,0|0,0,3]=4 3 B10R0.3 CC(CCC=C(C)C)CC=O T8061 [1,0,0,0,0,0|0,0,0]=1 4 B10R0.3 CC(CCO)CCC=C(C)C T3240 [1,0,0,0,0,0|0,0,1]=2 5 B10R0.3 C[C@@H](CCC=C(C)C)CC=O T8013 [1,0,0,0,0,0|0,0,0]=1 6 B10R0.3 C[C@@H](CCO)CCC=C(C)C T8266 [1,0,0,0,0,0|0,0,1]=2 7 B10R0.3 C[C@H](CCC=C(C)C)CC=O T13449 [1,0,0,0,0,0|0,0,0]=1 8 B10R0.3 C[C@H](CCO)CCC=C(C)C TN4931 [1,0,0,0,0,0|0,0,1]=2 9 B10R0.6 CCCCCC(CC(O)=O)O T9719 [1,0,0,0,0,0|1,0,2]=4 10 B10R0.97 OC(=O)CCCCCC(O)=O T4795 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.96 CC(CCC(O)=O)CC(O)=O T5253 [0,0,0,0,1,0|2,0,0]=3 12 B9R0.1 CN[C@H](C)CCC=C(C)C T27155 [2,0,0,0,0,0|1,0,1]=4 13 B9R0.2 CCCCCCCC(O)=O T3946 [2,0,0,0,0,0|0,0,2]=4 14 B11R0.147 CC(C)=CCC/C(C)=C/C=N/O T30949 [1,1,0,0,0,0|0,0,2]=4 15 B11R0.29 CC(=N)NCCC[C@H](N)C(O)=O T11806 [1,1,0,0,0,0|2,0,0]=4 16 B11R0.29 CC(C)=CCSC[C@H](N)C(O)=O T34129 [1,1,0,0,0,0|1,0,0]=3 17 B11R0.149 CC(C)C[C@H](N)[C@@H](O)CC(O)=O T13011 [0,1,0,0,1,0|1,0,1]=4 18 B13R0.1592 CC(C)=CCCC(C)(OC(C)=O)C=C T7930 [0,2,0,0,0,0|2,0,0]=4 19 B11R1.166 CC(C)C1CCC(C)CC1=O T5660 [1,0,0,1,0,0|0,0,2]=4 20 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O TN1157 [1,0,0,1,0,0|0,0,2]=4 21 B11R1.166 CC(C)[C@H]1CC[C@@H](C)CC1=O T13738 [1,0,0,1,0,0|0,0,2]=4 22 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1=O TMA0087 [1,0,0,1,0,0|0,0,2]=4 23 B11R1.166 C[C@@H]1CCC(=C(C)C)C(=O)C1 TCS0102 [1,0,0,1,0,0|0,0,0]=2 24 B13R2.5151 CC1CCC2C1C(=O)OC=C2C T33643 [0,0,0,2,0,0|0,0,2]=4 25 B9R0.47 C/C=C/SC[C@H](N)C(O)=O T12789 [1,0,0,0,1,0|2,0,0]=4 26 B9R0.47 CCCCCC(C)C(O)=O T8008 [1,0,0,0,1,0|0,0,2]=4 27 B9R0.55 CC(=O)NCCCC(O)=O T4728 [1,0,0,0,1,0|2,0,0]=4 28 B9R0.55 CC(=O)OCCCC(O)=O T23605 [1,0,0,0,1,0|2,0,0]=4 29 B9R0.55 OC(=O)CCCCC(O)=O T2228 [1,0,0,0,1,0|2,0,0]=4 30 B9R0.55 OC(=O)CCCCC(O)=O T7146 [1,0,0,0,1,0|2,0,0]=4 31 B9R0.7 CC(CCC(O)=O)C(O)=O T5063 [0,0,0,0,2,0|2,0,0]=4 32 B9R0.7 CC(CCC(O)=O)C(O)=O T5260 [0,0,0,0,2,0|2,0,0]=4 33 B9R0.7 C[S+](C)CCC(N)C(O)=O T7908 [0,0,0,0,2,0|2,0,0]=4 34 B9R0.7 C[S+](C)CC[C@H](N)C(O)=O T19919 [0,0,0,0,2,0|2,0,0]=4 35 B9R0.53 CC(CC(O)=O)CC(O)=O T4766 [0,0,0,0,2,0|2,0,0]=4 36 B11R0.30 CC(=O)NCCCCCC(O)=O T0436 [1,0,0,0,0,1|1,0,1]=4 37 B13R0.1398 CC(C)=CCC/C(C)=C/CCC(C)=O T7920 [0,0,0,0,0,2|1,0,1]=4 38 B13R0.1398 CC(C)=CCC/C(C)=C\COC(C)=O TCP2830 [0,0,0,0,0,2|1,0,1]=4 39 B13R0.1398 CC(C)=CCCC(C)=CCCC(C)=O T8368 [0,0,0,0,0,2|1,0,1]=4 40 B13R0.1398 CC(CCOC(C)=O)CCC=C(C)C T8057 [0,0,0,0,0,2|1,0,0]=3 41 B13R0.1398 C[C@@H](CCOC(C)=O)CCC=C(C)C T30951 [0,0,0,0,0,2|1,0,0]=3