0 B9R0.2 CC(=O)NCCCCCN T5222 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.2 CCCCC/C=C/C(O)=O T5261 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 CCCCCCCC(C)=O T29360 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.2 CCCCCCCC(C)O TN6692 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.2 CCCCCCCC(O)=O T3946 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.2 CCCCCNCC(N)=O T24465 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.2 CCCCCNCC(N)=O T50055 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.2 O=S(\C=C\CCN=C=S)C TL0016 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.7 CC(=O)NCCCCN T7508 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.7 CCCCCCC(C)=O TN6693 [1,0,0,0,0,0|0,0,1]=2 10 B8R0.7 NCCCCCC(O)=O T0881 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.3 CC(CCO)CCC=C(C)C T3240 [0,1,0,0,0,0|2,0,1]=4 12 B10R0.3 C[C@@H](CCO)CCC=C(C)C T8266 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.3 C[C@H](CCO)CCC=C(C)C TN4931 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.4 CC(=O)CCCCCCC=C T29489 [0,1,0,0,0,0|0,0,3]=4 15 B10R0.4 CCCCCCCCC(O)=O T3947 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.4 CCCCCCCOC(C)=O TN6701 [0,1,0,0,0,0|0,0,2]=3 17 B10R0.4 NCCCCCCCC(O)=O T8102 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.6 CCCCCC(CC(O)=O)O T9719 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,1,0,0,0,0|0,0,2]=3 20 B10R0.75 CCCCCCC(N)C(O)=O T9493 [0,1,0,0,0,0|1,0,2]=4 21 B10R0.75 CCCCCCC(O)C(O)=O T7481 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.78 CCCCC(C)CCC(O)=O T8089 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.4 NCCCCC(O)=O T5089 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.1 CN[C@H](C)CCC=C(C)C T27155 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.47 CCCCCC(C)C(O)=O T8008 [1,1,0,0,0,0|1,0,1]=4 26 B11R0.2 CCCCCCC(=O)CC(C)=O T31334 [0,2,0,0,0,0|0,0,1]=3 27 B11R0.40 CCCCCCCCC(=O)OC TN6918 [0,2,0,0,0,0|0,0,2]=4 28 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [0,2,0,0,0,0|1,0,0]=3 29 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [0,2,0,0,0,0|1,0,0]=3 30 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,2,0,0,0,0|0,0,2]=4 31 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,2,0,0,0,0|0,0,2]=4 32 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [0,2,0,0,0,0|1,0,0]=3 33 B11R0.4 CCCCCCCC(OCC)=O TN6743 [0,2,0,0,0,0|0,0,2]=4 34 B9R1.50 OC1CCC/C=C/CC1 T18751 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.50 O[C@@H]1CCC/C=C/CC1 T18648 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.6 OC(=O)C1=CCCNC1 T7557 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.6 OC(=O)C1=CCCNC1 TN1717 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.6 OC(=O)C1=CCNCC1 T11684 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.6 OC(=O)C1CCCCC1 T5563 [1,0,0,1,0,0|1,0,1]=4 40 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [0,1,0,1,0,0|1,0,1]=4 41 B11R1.86 CN1CCCCC1CC(C)=O TN4560 [0,1,0,1,0,0|0,0,2]=4 42 B11R1.40 CCC(=O)OC1CCCCC1 T29781 [0,1,0,1,0,0|1,0,1]=4