0 B12R0.5 C/C=C/C=C/CCCCCCCO T20516 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.5 CCCCCCCCC/C=C/C=O TN6927 [0,0,0,0,0,0|0,0,4]=4 2 B12R0.5 CCCCCCCCCCCCO T9514 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.5 CCCCCCCCCCN=C=S T21135 [0,0,0,0,0,0|1,1,1]=3 4 B12R0.5 CCCCCCCCCCOC=C T31314 [0,0,0,0,0,0|2,0,1]=3 5 B12R0.5 CCCCCCCCCCSC#N T31356 [0,0,0,0,0,0|2,0,1]=3 6 B12R0.5 NCCCNCCCNCCCN T7849 [0,0,0,0,0,0|4,0,0]=4 7 B12R0.5 NCCOCCOCCOCCO T14237 [0,0,0,0,0,0|4,0,0]=4 8 B12R0.5 OCCOCCNCCOCCO T16301 [0,0,0,0,0,0|4,0,0]=4 9 B12R0.5 OCCOCCOCCOCCBr T14773 [0,0,0,0,0,0|4,0,0]=4 10 B12R0.5 OCCOCCOCCOCCO T16662 [0,0,0,0,0,0|4,0,0]=4 11 B12R0.5 OCCOCCOCCOCCS T18839 [0,0,0,0,0,0|4,0,0]=4 12 B11R0.3 BrCCCCCCCCCCBr T21133 [1,0,0,0,0,0|2,0,0]=3 13 B11R0.3 C(CCCCC[NH3+])CCCC[NH3+] T29266 [1,0,0,0,0,0|2,0,0]=3 14 B11R0.3 CCCCCCCCCCC=O TN6898 [1,0,0,0,0,0|0,0,2]=3 15 B11R0.3 CCCCCCCCCCCC TN6897 [1,0,0,0,0,0|0,0,0]=1 16 B11R0.3 CCCCCCCCCCCO T7480 [1,0,0,0,0,0|0,0,0]=1 17 B11R0.3 CCCCCCCCCCOC T31321 [1,0,0,0,0,0|1,0,0]=2 18 B11R0.3 COCCOCCOCCCO T15856 [1,0,0,0,0,0|3,0,0]=4 19 B11R0.3 FCCCCCCCCCCBr T31319 [1,0,0,0,0,0|2,0,0]=3 20 B11R0.3 FCCCCCCCCCCCl T31320 [1,0,0,0,0,0|2,0,0]=3 21 B11R0.3 FCCCCCCCCCCF T31317 [1,0,0,0,0,0|2,0,0]=3 22 B11R0.3 ICCCCCCCCCCI T21134 [1,0,0,0,0,0|2,0,0]=3 23 B11R0.3 OCCCCCCCCCC=C T22216 [1,0,0,0,0,0|0,0,2]=3 24 B11R0.3 OCCCCCCCCCCF T31348 [1,0,0,0,0,0|1,0,0]=2 25 B11R0.3 OCCCCCCCCCCO T21096 [1,0,0,0,0,0|1,0,0]=2 26 B11R0.3 SCCCCCCCCCCS T21143 [1,0,0,0,0,0|1,1,0]=3 27 B13R0.2 CCCCCCCCCC(=O)OCC T31708 [0,1,0,0,0,0|2,0,1]=4 28 B13R0.54 CCCCCC/C=C\CCCC(O)=O T8240 [0,1,0,0,0,0|0,0,3]=4 29 B13R0.54 CCCCCCCCCCCC(C)=O T9502 [0,1,0,0,0,0|0,0,2]=3 30 B13R0.54 CCCCCCCCCCCC(O)=O T6873 [0,1,0,0,0,0|0,0,1]=2 31 B13R0.54 CCCCCCCCCCCC([O-])=O T30004 [0,1,0,0,0,0|0,0,2]=3 32 B13R0.54 NCCCCCCCCCCC(O)=O T17323 [0,1,0,0,0,0|1,0,1]=3 33 B13R0.54 OOCCCCCCCCCC(O)=O T33476 [0,1,0,0,0,0|2,0,1]=4 34 B13R0.147 CCCCCCCCCCC(=O)OC T9505 [0,1,0,0,0,0|2,0,1]=4 35 B13R0.165 CCCCOCC(O)COCCCC T31428 [0,1,0,0,0,0|3,0,0]=4 36 B13R0.336 CCCCCCCCCCCCCC TN6959 [0,1,0,0,0,0|1,0,0]=2 37 B13R0.336 CNCCOCCOCCOCCO T15532 [0,1,0,0,0,0|3,0,0]=4 38 B13R0.336 COCCOCCOCCOCCO T17054 [0,1,0,0,0,0|3,0,0]=4 39 B13R0.336 N#CCCCCCCCCCCC#N T21100 [0,1,0,0,0,0|1,0,2]=4 40 B13R0.336 NCCCCCCCCCCCCN T20478 [0,1,0,0,0,0|1,0,0]=2 41 B13R0.336 NCCCNCCCCNCCCN T3007 [0,1,0,0,0,0|3,0,0]=4 42 B13R0.336 NCCCNCCCCNCCCN T3093 [0,1,0,0,0,0|3,0,0]=4 43 B13R0.338 CCCCCCOC(=O)CCCCC T5599 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.28 OCCOCCOC1CCCCO1 T17058 [0,0,0,1,0,0|3,0,0]=4 45 B10R0.71 C(CCCCC)CCCCCl T21123 [2,0,0,0,0,0|1,0,0]=3 46 B10R0.71 C(CCCCC)CCCCO T21101 [2,0,0,0,0,0|0,0,0]=2 47 B10R0.71 C(CCCCC)CCCCO T30679 [2,0,0,0,0,0|0,0,0]=2 48 B10R0.71 CCCCCCCCCC#N T21184 [2,0,0,0,0,0|1,0,1]=4 49 B10R0.71 CCCCCCCCCC=O T8086 [2,0,0,0,0,0|0,0,2]=4 50 B10R0.71 CCCCCCCCCCBr T31355 [2,0,0,0,0,0|1,0,0]=3 51 B10R0.71 CCCCCCCCCCC TN2458 [2,0,0,0,0,0|0,0,0]=2 52 B10R0.71 CCCCCCCCCCCl T30897 [2,0,0,0,0,0|1,0,0]=3 53 B10R0.71 CCCCCCCCCCF T21116 [2,0,0,0,0,0|1,0,0]=3 54 B10R0.71 CCCCCCCCCCI T21125 [2,0,0,0,0,0|1,0,0]=3 55 B10R0.71 CCCCCCCCCCO T31347 [2,0,0,0,0,0|0,0,0]=2 56 B10R0.71 CCCCCSCCCCC T20315 [2,0,0,0,0,0|1,0,0]=3 57 B10R0.71 OCCCCCCCCC#C T17346 [2,0,0,0,0,0|0,0,2]=4 58 B12R0.1 CCCCCCCCC(=O)OCC T19315 [1,1,0,0,0,0|1,0,1]=4 59 B12R0.234 CCCCCCCCCCC(O)=O T3948 [1,1,0,0,0,0|0,0,1]=3 60 B12R0.234 CCCCCCCCCCS(C)=O T29297 [1,1,0,0,0,0|1,0,0]=3 61 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [1,1,0,0,0,0|1,0,1]=4 62 B12R0.248 CCCCCCCCCC(=O)NC T31309 [1,1,0,0,0,0|1,0,1]=4 63 B12R0.248 CCCCCCCCCC(=O)NO T33614 [1,1,0,0,0,0|1,0,1]=4 64 B12R0.248 CCCCCCCCCC(=O)OC T33337 [1,1,0,0,0,0|1,0,1]=4 65 B14R0.181 CCCCCCCCCC(=O)C(O)CC T30687 [0,2,0,0,0,0|1,0,1]=4 66 B14R0.391 CCCCCCCCCC(O)CC(O)=O T19120 [0,2,0,0,0,0|0,0,1]=3 67 B14R0.493 CCCCCCCCCC(=O)OCCC T21239 [0,2,0,0,0,0|1,0,1]=4 68 B14R0.493 CCCCCCCCCC(=O)OCCCl T29339 [0,2,0,0,0,0|1,0,1]=4 69 B14R0.493 CCCCCCCCCC(=O)OCCS T29354 [0,2,0,0,0,0|0,1,1]=4 70 B14R0.88 CCCCCCCCCCOP(O)([O-])=O T29032 [0,2,0,0,0,0|2,0,0]=4 71 B14R0.88 OP(O)(=O)CCCCCCCCCCBr T13999 [0,2,0,0,0,0|2,0,0]=4 72 B14R0.337 CCCCCCCCCCCC(=O)OC TN6895 [0,2,0,0,0,0|0,0,1]=3 73 B14R0.337 COC(=O)CCCCCCCCCCBr T17694 [0,2,0,0,0,0|1,0,1]=4 74 B14R0.394 CCCCCCCCCCCCC(O)=O T3950 [0,2,0,0,0,0|0,0,0]=2 75 B14R0.394 OCCCCCCCCCCCC(O)=O T4879 [0,2,0,0,0,0|0,0,1]=3 76 B14R0.140 CCCCCCCC(=O)OCC(O)CO T9508 [0,2,0,0,0,0|1,0,1]=4 77 B14R0.140 CCCCCCCC(OCC(O)CO)=O T33470 [0,2,0,0,0,0|1,0,1]=4 78 B14R0.392 CCCCCCCCCCCCCC#N T20275 [0,2,0,0,0,0|1,0,0]=3 79 B14R0.392 CCCCCCCCCCCCCC=C TN6906 [0,2,0,0,0,0|1,0,0]=3 80 B14R0.392 CCCCCCCCCCCCCCC TN6759 [0,2,0,0,0,0|1,0,0]=3 81 B14R0.392 CCCCCCCCCCCCCCO TN6991 [0,2,0,0,0,0|0,0,0]=2 82 B14R0.392 COCCOCCOCCOCCCO T15855 [0,2,0,0,0,0|2,0,0]=4 83 B14R1.40 CCCCCCCCCC1OCCO1 T29359 [0,1,0,1,0,0|0,0,0]=2