0 B9R0.45 C=CCCCCCCCC T21040 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 CCCCCCCCCO TN6912 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.45 NCCOCCOCCO T16312 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.45 OCCOCCOCCBr T14770 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.45 OCCOCCOCCO T16665 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.45 OCCOCCOCCS T20973 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.4 NCCCCCCCN T7998 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.1 CCCCCCC(Cl)CCC T29433 [0,1,0,0,0,0|1,0,2]=4 8 B10R0.1 CCCCCC[C@H](C)CCC T31329 [0,1,0,0,0,0|1,0,2]=4 9 B10R0.1 CCCCCC[C@H](O)CCC T21104 [0,1,0,0,0,0|1,0,2]=4 10 B10R0.4 C(CCCCC)CCC(C)C T29356 [0,1,0,0,0,0|1,0,2]=4 11 B10R0.4 CCCCCCCCC(C)C T31326 [0,1,0,0,0,0|1,0,2]=4 12 B10R0.4 CCCCCCCCC(O)=O T3947 [0,1,0,0,0,0|0,0,3]=4 13 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [0,1,0,0,0,0|1,0,2]=4 14 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [0,1,0,0,0,0|0,0,2]=3 15 B10R0.71 C(CCCCC)CCCCCl T21123 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.71 C(CCCCC)CCCCO T21101 [0,1,0,0,0,0|0,0,2]=3 17 B10R0.71 C(CCCCC)CCCCO T30679 [0,1,0,0,0,0|0,0,2]=3 18 B10R0.71 CCCCC/C=C/C=C/C=O T9506 [0,1,0,0,0,0|0,0,3]=4 19 B10R0.71 CCCCCCCCCC#N T21184 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.71 CCCCCCCCCC=O T8086 [0,1,0,0,0,0|0,0,3]=4 21 B10R0.71 CCCCCCCCCCBr T31355 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.71 CCCCCCCCCCC TN2458 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.71 CCCCCCCCCCCl T30897 [0,1,0,0,0,0|1,0,2]=4 24 B10R0.71 CCCCCCCCCCF T21116 [0,1,0,0,0,0|1,0,2]=4 25 B10R0.71 CCCCCCCCCCI T21125 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.71 CCCCCCCCCCO T31347 [0,1,0,0,0,0|0,0,2]=3 27 B10R0.71 CCCCCSCCCCC T20315 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.71 CNCCOCCOCCO T16457 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.71 COCCOCCOCCO T15860 [0,1,0,0,0,0|2,0,1]=4 30 B10R0.71 OCCCCCCCCC#C T17346 [0,1,0,0,0,0|0,0,3]=4 31 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.91 CCCCCC(O)/C=C/C=O T10148 [0,1,0,0,0,0|0,0,2]=3 34 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [0,1,0,0,0,0|1,0,2]=4 35 B10R0.91 CCCCC[C@H](O)CCCC T31301 [0,1,0,0,0,0|1,0,2]=4 36 B10R1.21 CCCCCc1ccco1 TCS0324 [0,0,0,1,0,0|0,0,2]=3 37 B7R0.1 CCCCCCCO TN6893 [2,0,0,0,0,0|0,0,0]=2 38 B7R0.1 CNCCOCCO T32120 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.2 CC(=O)NCCCCCN T5222 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.2 CCCCC/C=C/C(O)=O T5261 [1,1,0,0,0,0|0,0,1]=3 41 B9R0.2 CCCCCCCC(C)=O T29360 [1,1,0,0,0,0|0,0,1]=3 42 B9R0.2 CCCCCCCC(C)O TN6692 [1,1,0,0,0,0|0,0,1]=3 43 B9R0.2 CCCCCCCC(O)=O T3946 [1,1,0,0,0,0|0,0,1]=3 44 B11R0.4 CCCCCCCC(OCC)=O TN6743 [0,2,0,0,0,0|1,0,1]=4 45 B11R0.81 CCCCCCC(=O)/C=C/C=O T31275 [0,2,0,0,0,0|0,0,2]=4 46 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [0,2,0,0,0,0|0,0,2]=4 47 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [0,2,0,0,0,0|0,0,1]=3 48 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [0,2,0,0,0,0|0,0,1]=3 49 B11R0.148 CCCCCCCCCC(C)O T22221 [0,2,0,0,0,0|0,0,2]=4 50 B11R0.148 CCCCCCCCCC(O)=O T30126 [0,2,0,0,0,0|0,0,2]=4 51 B11R0.148 CCCCCCCCCC(O)=O T33472 [0,2,0,0,0,0|0,0,2]=4 52 B11R0.148 CCCCCCCCCC(O)=O T33485 [0,2,0,0,0,0|0,0,2]=4 53 B11R0.148 CCCCCCCCCC(O)=O T3379 [0,2,0,0,0,0|0,0,2]=4 54 B11R0.148 CCCCCCCCCC(O)=O T34161 [0,2,0,0,0,0|0,0,2]=4 55 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [0,2,0,0,0,0|0,0,1]=3 56 B11R0.3 CCCCCC/C=C/CCC=O T29255 [0,2,0,0,0,0|0,0,1]=3 57 B11R0.3 CCCCCCCCCCCO T7480 [0,2,0,0,0,0|0,0,2]=4 58 B11R0.3 CCCCCCCCCCOC T31321 [0,2,0,0,0,0|0,0,2]=4 59 B11R0.3 OCCCCCCCCCC=C T22216 [0,2,0,0,0,0|0,0,2]=4 60 B11R0.3 OCCCCCCCCCCF T31348 [0,2,0,0,0,0|0,0,2]=4 61 B11R0.3 OCCCCCCCCCCO T21096 [0,2,0,0,0,0|0,0,2]=4 62 B9R1.8 CCCC1NCCCC1 TN3695 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.8 OCCN1CCCCC1 T33732 [1,0,0,1,0,0|1,0,1]=4 64 B9R1.50 OC1CCC/C=C/CC1 T18751 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.50 O[C@@H]1CCC/C=C/CC1 T18648 [1,0,0,1,0,0|2,0,0]=4 66 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.40 CCC(=O)OC1CCCCC1 T29781 [0,1,0,1,0,0|2,0,0]=4