0 B11R0.3 BrCCCCCCCCCCBr T21133 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C(CCCCC[NH3+])CCCC[NH3+] T29266 [0,0,0,0,0,0|2,0,1]=3 2 B11R0.3 CCCCCC/C=C/CCC=O T29255 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.3 CCCCCCCCCCC=O TN6898 [0,0,0,0,0,0|2,0,0]=2 4 B11R0.3 CCCCCCCCCCCC TN6897 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.3 CCCCCCCCCCCO T7480 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.3 CCCCCCCCCCOC T31321 [0,0,0,0,0,0|2,0,1]=3 7 B11R0.3 COCCOCCOCCCO T15856 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.3 FCCCCCCCCCCBr T31319 [0,0,0,0,0,0|2,0,1]=3 9 B11R0.3 FCCCCCCCCCCCl T31320 [0,0,0,0,0,0|2,0,1]=3 10 B11R0.3 FCCCCCCCCCCF T31317 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.3 ICCCCCCCCCCI T21134 [0,0,0,0,0,0|2,0,1]=3 12 B11R0.3 N#CCCCCCCCCC#N T21149 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.3 OCCCCCCCCCC=C T22216 [0,0,0,0,0,0|0,0,0]=0 14 B11R0.3 OCCCCCCCCCCF T31348 [0,0,0,0,0,0|1,0,1]=2 15 B11R0.3 OCCCCCCCCCCO T21096 [0,0,0,0,0,0|1,0,1]=2 16 B11R0.3 SCCCCCCCCCCS T21143 [0,0,0,0,0,0|1,1,1]=3 17 B10R0.71 C(CCCCC)CCCCCl T21123 [1,0,0,0,0,0|1,0,1]=3 18 B10R0.71 C(CCCCC)CCCCO T21101 [1,0,0,0,0,0|0,0,1]=2 19 B10R0.71 C(CCCCC)CCCCO T30679 [1,0,0,0,0,0|0,0,1]=2 20 B10R0.71 CCCCCCCCCC#N T21184 [1,0,0,0,0,0|1,0,1]=3 21 B10R0.71 CCCCCCCCCC=O T8086 [1,0,0,0,0,0|1,0,0]=2 22 B10R0.71 CCCCCCCCCCBr T31355 [1,0,0,0,0,0|1,0,1]=3 23 B10R0.71 CCCCCCCCCCC TN2458 [1,0,0,0,0,0|0,0,2]=3 24 B10R0.71 CCCCCCCCCCCl T30897 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.71 CCCCCCCCCCF T21116 [1,0,0,0,0,0|1,0,1]=3 26 B10R0.71 CCCCCCCCCCI T21125 [1,0,0,0,0,0|1,0,1]=3 27 B10R0.71 CCCCCCCCCCO T31347 [1,0,0,0,0,0|0,0,1]=2 28 B10R0.71 CCCCCSCCCCC T20315 [1,0,0,0,0,0|1,0,2]=4 29 B10R0.71 OCCCCCCCCC#C T17346 [1,0,0,0,0,0|0,0,2]=3 30 B12R0.5 C/C=C/C=C/CCCCCCCO T20516 [0,1,0,0,0,0|0,0,2]=3 31 B12R0.5 CCCCCCCCC/C=C/C=O TN6927 [0,1,0,0,0,0|1,0,1]=3 32 B12R0.5 CCCCCCCCCCCCO T9514 [0,1,0,0,0,0|0,0,2]=3 33 B12R0.5 CCCCCCCCCCN=C=S T21135 [0,1,0,0,0,0|2,0,1]=4 34 B12R0.5 CCCCCCCCCCOC=C T31314 [0,1,0,0,0,0|1,0,0]=2 35 B12R0.5 CCCCCCCCCCSC#N T31356 [0,1,0,0,0,0|2,0,1]=4 36 B12R0.234 CCCCCCCCCCC(O)=O T3948 [0,1,0,0,0,0|2,0,0]=3 37 B12R0.234 CCCCCCCCCCS(C)=O T29297 [0,1,0,0,0,0|2,0,1]=4 38 B12R0.234 OC(=O)CCCCCCCCC=C T0306 [0,1,0,0,0,0|0,0,1]=2 39 B12R0.234 OCCCCCCC/C=C/C(O)=O T3250 [0,1,0,0,0,0|1,0,2]=4 40 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [0,1,0,0,0,0|1,0,0]=2 41 B12R0.234 [O-]C(=O)CCCCCCCCC=C T0744 [0,1,0,0,0,0|0,0,2]=3 42 B9R0.45 C=CCCCCCCCC T21040 [2,0,0,0,0,0|0,0,0]=2 43 B9R0.45 CCCCCCCCCO TN6912 [2,0,0,0,0,0|0,0,0]=2 44 B11R0.40 CCCCCCCCC(=C)C=O T31306 [1,1,0,0,0,0|1,0,1]=4 45 B11R0.40 CCCCCCCCC(=O)C=O T31307 [1,1,0,0,0,0|1,0,1]=4 46 B11R0.40 CCCCCCCCC(C)C#N T21189 [1,1,0,0,0,0|1,0,1]=4 47 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [1,1,0,0,0,0|1,0,0]=3 48 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [1,1,0,0,0,0|0,0,1]=3 49 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [1,1,0,0,0,0|1,0,0]=3 50 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [1,1,0,0,0,0|1,0,0]=3 51 B11R0.148 CCCCCCCCCC(C)=O T8017 [1,1,0,0,0,0|0,0,1]=3 52 B11R0.148 CCCCCCCCCC(C)O T22221 [1,1,0,0,0,0|0,0,1]=3 53 B11R0.148 CCCCCCCCCC(F)=O T31304 [1,1,0,0,0,0|1,0,0]=3 54 B11R0.148 CCCCCCCCCC(N)=O T31308 [1,1,0,0,0,0|1,0,0]=3 55 B11R0.148 CCCCCCCCCC(O)=O T30126 [1,1,0,0,0,0|1,0,0]=3 56 B11R0.148 CCCCCCCCCC(O)=O T33472 [1,1,0,0,0,0|1,0,0]=3 57 B11R0.148 CCCCCCCCCC(O)=O T33485 [1,1,0,0,0,0|1,0,0]=3 58 B11R0.148 CCCCCCCCCC(O)=O T3379 [1,1,0,0,0,0|1,0,0]=3 59 B11R0.148 CCCCCCCCCC(O)=O T34161 [1,1,0,0,0,0|1,0,0]=3 60 B11R0.148 CCCCCCCCCC([O-])=O T21240 [1,1,0,0,0,0|1,0,0]=3 61 B11R0.148 CCCCCCCCCC([O-])=O T30689 [1,1,0,0,0,0|1,0,0]=3 62 B11R0.148 CCCCCCCCCC([O-])=O T30994 [1,1,0,0,0,0|1,0,0]=3 63 B11R0.148 CCCCCCCCCC([O-])=O T31345 [1,1,0,0,0,0|1,0,0]=3 64 B11R0.148 CCCCCCCCCC([O-])=O T33164 [1,1,0,0,0,0|1,0,0]=3 65 B11R0.148 CCCCCCCCCC([O-])=O T34116 [1,1,0,0,0,0|1,0,0]=3 66 B11R0.148 CCCCCCCCCC([O-])=O T35308 [1,1,0,0,0,0|1,0,0]=3 67 B11R0.148 CCCCCCCCOC(C)=O T5667 [1,1,0,0,0,0|1,0,1]=4 68 B13R0.54 CCCCCCCCCCCC(C)=O T9502 [0,2,0,0,0,0|1,0,1]=4 69 B13R0.54 CCCCCCCCCCCC(O)=O T6873 [0,2,0,0,0,0|0,0,2]=4 70 B13R0.54 CCCCCCCCCCCC([O-])=O T30004 [0,2,0,0,0,0|1,0,1]=4 71 B13R0.54 NCCCCCCCCCCC(O)=O T17323 [0,2,0,0,0,0|1,0,1]=4 72 B13R0.54 OOCCCCCCCCCC(O)=O T33476 [0,2,0,0,0,0|1,0,0]=3 73 B13R0.147 CCCCCCCCCCC(=O)OC T9505 [0,2,0,0,0,0|1,0,1]=4 74 B13R0.147 COC(CCCCCCCCC=C)=O T9296 [0,2,0,0,0,0|0,0,1]=3 75 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O T3732 [0,2,0,0,0,0|1,0,1]=4 76 B13R0.179 NC(=O)CCCCCCCCC(O)=O T34595 [0,2,0,0,0,0|1,0,1]=4 77 B13R0.179 O=C(O)CCCCCCCCC(O)=O T31337 [0,2,0,0,0,0|1,0,1]=4 78 B13R0.179 OC(=O)CCCCCCCCC(O)=O T34069 [0,2,0,0,0,0|1,0,1]=4 79 B13R0.201 OCC(O)CCCCCCC(O)CO T31333 [0,2,0,0,0,0|1,0,1]=4 80 B13R0.412 CCCCCCCCCC(CC)C=O T29346 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.27 CCCCCCCC1CCC(O1)=O TN6744 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.2290 C(CCC[C@@H]1CO1)CC[C@H]2CO2 T31318 [0,0,0,2,0,0|1,0,1]=4