0 B10R0.71 C(CCCCC)CCCCCl T21123 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.71 C(CCCCC)CCCCO T21101 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.71 C(CCCCC)CCCCO T30679 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.71 CCCCCCCCCC#N T21184 [0,0,0,0,0,0|1,0,1]=2 4 B10R0.71 CCCCCCCCCC=O T8086 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.71 CCCCCCCCCCBr T31355 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.71 CCCCCCCCCCC TN2458 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.71 CCCCCCCCCCCl T30897 [0,0,0,0,0,0|1,0,0]=1 8 B10R0.71 CCCCCCCCCCF T21116 [0,0,0,0,0,0|1,0,0]=1 9 B10R0.71 CCCCCCCCCCI T21125 [0,0,0,0,0,0|1,0,0]=1 10 B10R0.71 CCCCCCCCCCO T31347 [0,0,0,0,0,0|0,0,0]=0 11 B10R0.71 CCCCCSCCCCC T20315 [0,0,0,0,0,0|2,0,0]=2 12 B10R0.71 CNCCOCCOCCO T16457 [0,0,0,0,0,0|3,0,0]=3 13 B10R0.71 COCCOCCOCCN T15851 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.71 COCCOCCOCCO T15860 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.71 COCCOCCOCCS T18184 [0,0,0,0,0,0|3,1,0]=4 16 B10R0.71 OCCCCCCCCC#C T17346 [0,0,0,0,0,0|0,0,2]=2 17 B9R0.45 C=CCCCCCCCC T21040 [1,0,0,0,0,0|0,0,2]=3 18 B9R0.45 CCCC/C=C\CCCC T31276 [1,0,0,0,0,0|0,0,2]=3 19 B9R0.45 CCCCCCCCCO TN6912 [1,0,0,0,0,0|0,0,0]=1 20 B9R0.45 NCCCCNCCCN T4893 [1,0,0,0,0,0|3,0,0]=4 21 B9R0.45 NCCCCNCCCN T5080 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.45 NCCOCCOCCO T16312 [1,0,0,0,0,0|3,0,0]=4 23 B9R0.45 OCCCCCCN=[N+]=[N-] T38953 [1,0,0,0,0,0|3,0,0]=4 24 B9R0.45 OCCOCCOCCBr T14770 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.45 OCCOCCOCCO T16665 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.45 OCCOCCOCCS T20973 [1,0,0,0,0,0|3,0,0]=4 27 B11R0.3 BrCCCCCCCCCCBr T21133 [0,1,0,0,0,0|1,0,0]=2 28 B11R0.3 C(CCCCC[NH3+])CCCC[NH3+] T29266 [0,1,0,0,0,0|1,0,0]=2 29 B11R0.3 CCCCCC/C=C/CCC=O T29255 [0,1,0,0,0,0|0,0,3]=4 30 B11R0.3 CCCCCCCCCCC=O TN6898 [0,1,0,0,0,0|0,0,1]=2 31 B11R0.3 CCCCCCCCCCCC TN6897 [0,1,0,0,0,0|1,0,0]=2 32 B11R0.3 CCCCCCCCCCCO T7480 [0,1,0,0,0,0|0,0,0]=1 33 B11R0.3 CCCCCCCCCCOC T31321 [0,1,0,0,0,0|0,0,0]=1 34 B11R0.3 COCCOCCOCCCO T15856 [0,1,0,0,0,0|2,0,0]=3 35 B11R0.3 COCCOCCOCCON T15852 [0,1,0,0,0,0|3,0,0]=4 36 B11R0.3 FCCCCCCCCCCBr T31319 [0,1,0,0,0,0|1,0,0]=2 37 B11R0.3 FCCCCCCCCCCCl T31320 [0,1,0,0,0,0|1,0,0]=2 38 B11R0.3 FCCCCCCCCCCF T31317 [0,1,0,0,0,0|1,0,0]=2 39 B11R0.3 ICCCCCCCCCCI T21134 [0,1,0,0,0,0|1,0,0]=2 40 B11R0.3 N#CCCCCCCCCC#N T21149 [0,1,0,0,0,0|1,0,2]=4 41 B11R0.3 OCCCCCCCCCC=C T22216 [0,1,0,0,0,0|0,0,1]=2 42 B11R0.3 OCCCCCCCCCCF T31348 [0,1,0,0,0,0|0,0,0]=1 43 B11R0.3 OCCCCCCCCCCO T21096 [0,1,0,0,0,0|0,0,0]=1 44 B11R0.3 SCCCCCCCCCCS T21143 [0,1,0,0,0,0|0,1,0]=2 45 B11R0.4 CCCCCCCC(OCC)=O TN6743 [0,1,0,0,0,0|2,0,1]=4 46 B11R0.40 CCCCCCCCC(=C)C=O T31306 [0,1,0,0,0,0|0,0,3]=4 47 B11R0.40 CCCCCCCCC(=O)C=O T31307 [0,1,0,0,0,0|0,0,3]=4 48 B11R0.40 CCCCCCCCC(=O)OC TN6918 [0,1,0,0,0,0|2,0,1]=4 49 B11R0.40 CCCCCCCCC(C)C#N T21189 [0,1,0,0,0,0|1,0,1]=3 50 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [0,1,0,0,0,0|0,0,2]=3 51 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [0,1,0,0,0,0|0,0,0]=1 52 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [0,1,0,0,0,0|0,0,2]=3 53 B11R0.81 CCCCCOC(=O)CCCC T20310 [0,1,0,0,0,0|2,0,1]=4 54 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [0,1,0,0,0,0|1,0,1]=3 55 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [0,1,0,0,0,0|0,0,3]=4 56 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [0,1,0,0,0,0|0,0,3]=4 57 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,1,0,0,0,0|0,0,2]=3 58 B11R0.148 CCCCCCCCCC(C)O T22221 [0,1,0,0,0,0|0,0,0]=1 59 B11R0.148 CCCCCCCCCC(F)=O T31304 [0,1,0,0,0,0|0,0,2]=3 60 B11R0.148 CCCCCCCCCC(N)=O T31308 [0,1,0,0,0,0|0,0,2]=3 61 B11R0.148 CCCCCCCCCC(O)=O T30126 [0,1,0,0,0,0|0,0,1]=2 62 B11R0.148 CCCCCCCCCC(O)=O T33472 [0,1,0,0,0,0|0,0,1]=2 63 B11R0.148 CCCCCCCCCC(O)=O T33485 [0,1,0,0,0,0|0,0,1]=2 64 B11R0.148 CCCCCCCCCC(O)=O T3379 [0,1,0,0,0,0|0,0,1]=2 65 B11R0.148 CCCCCCCCCC(O)=O T34161 [0,1,0,0,0,0|0,0,1]=2 66 B11R0.148 CCCCCCCCCC([O-])=O T21240 [0,1,0,0,0,0|0,0,2]=3 67 B11R0.148 CCCCCCCCCC([O-])=O T30689 [0,1,0,0,0,0|0,0,2]=3 68 B11R0.148 CCCCCCCCCC([O-])=O T30994 [0,1,0,0,0,0|0,0,2]=3 69 B11R0.148 CCCCCCCCCC([O-])=O T31345 [0,1,0,0,0,0|0,0,2]=3 70 B11R0.148 CCCCCCCCCC([O-])=O T33164 [0,1,0,0,0,0|0,0,2]=3 71 B11R0.148 CCCCCCCCCC([O-])=O T34116 [0,1,0,0,0,0|0,0,2]=3 72 B11R0.148 CCCCCCCCCC([O-])=O T35308 [0,1,0,0,0,0|0,0,2]=3 73 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,1,0,0,0,0|1,0,2]=4 74 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [0,1,0,0,0,0|0,0,3]=4 75 B11R1.28 NCCCNC1CCCCC1 T35878 [0,0,0,1,0,0|2,0,0]=3 76 B8R0.4 NCCCCCCCN T7998 [2,0,0,0,0,0|2,0,0]=4 77 B10R0.1 CCCCCCC(Cl)CCC T29433 [1,1,0,0,0,0|0,0,0]=2 78 B10R0.1 CCCCCC[C@H](C)CCC T31329 [1,1,0,0,0,0|0,0,0]=2 79 B10R0.1 CCCCCC[C@H](O)CCC T21104 [1,1,0,0,0,0|0,0,0]=2 80 B10R0.4 C(CCCCC)CCC(C)C T29356 [1,1,0,0,0,0|0,0,0]=2 81 B10R0.4 CCCCCCCCC(C)C T31326 [1,1,0,0,0,0|0,0,0]=2 82 B10R0.4 CCCCCCCCC(O)=O T3947 [1,1,0,0,0,0|0,0,1]=3 83 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [1,1,0,0,0,0|0,0,0]=2 84 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [1,1,0,0,0,0|0,0,0]=2 85 B10R0.4 CCCCCCCOC(C)=O TN6701 [1,1,0,0,0,0|1,0,1]=4 86 B10R0.4 NCCCCCCCC(O)=O T8102 [1,1,0,0,0,0|1,0,1]=4 87 B10R0.74 CCCCCCCC(=O)OC TN6890 [1,1,0,0,0,0|1,0,1]=4 88 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [1,1,0,0,0,0|0,0,0]=2 89 B10R0.91 CCCCCC(=O)CCCC T29451 [1,1,0,0,0,0|0,0,1]=3 90 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [1,1,0,0,0,0|0,0,0]=2 91 B10R0.91 CCCCC[C@H](O)CCCC T31301 [1,1,0,0,0,0|0,0,0]=2 92 B12R0.1 CCCCCCCCC(=O)OCC T19315 [0,2,0,0,0,0|1,0,1]=4 93 B12R0.5 C/C=C/C=C/CCCCCCCO T20516 [0,2,0,0,0,0|0,0,2]=4 94 B12R0.5 CCCCCCCCC/C=C/C=O TN6927 [0,2,0,0,0,0|0,0,2]=4 95 B12R0.5 CCCCCCCCCCCCO T9514 [0,2,0,0,0,0|0,0,0]=2 96 B12R0.5 CCCCCCCCCCN=C=S T21135 [0,2,0,0,0,0|0,1,0]=3 97 B12R0.5 CCCCCCCCCCOC=C T31314 [0,2,0,0,0,0|0,0,0]=2 98 B12R0.5 CCCCCCCCCCSC#N T31356 [0,2,0,0,0,0|0,1,0]=3 99 B12R0.5 NCCCNCCCNCCCN T7849 [0,2,0,0,0,0|2,0,0]=4 100 B12R0.5 NCCOCCOCCOCCO T14237 [0,2,0,0,0,0|2,0,0]=4 101 B12R0.5 OCCOCCNCCOCCO T16301 [0,2,0,0,0,0|2,0,0]=4 102 B12R0.5 OCCOCCOCCOCCBr T14773 [0,2,0,0,0,0|2,0,0]=4 103 B12R0.5 OCCOCCOCCOCCO T16662 [0,2,0,0,0,0|2,0,0]=4 104 B12R0.5 OCCOCCOCCOCCS T18839 [0,2,0,0,0,0|2,0,0]=4 105 B12R0.234 CCCCCCCC/C=C/C(O)=O T19589 [0,2,0,0,0,0|0,0,2]=4 106 B12R0.234 CCCCCCCCCCC(O)=O T3948 [0,2,0,0,0,0|0,0,0]=2 107 B12R0.234 CCCCCCCCCCS(C)=O T29297 [0,2,0,0,0,0|0,0,1]=3 108 B12R0.234 OC(=O)CCCCCCCCC=C T0306 [0,2,0,0,0,0|0,0,2]=4 109 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [0,2,0,0,0,0|0,0,1]=3 110 B12R0.248 CCCCCCCCCC(=O)NC T31309 [0,2,0,0,0,0|0,0,2]=4 111 B12R0.248 CCCCCCCCCC(=O)NN T31346 [0,2,0,0,0,0|0,0,2]=4 112 B12R0.248 CCCCCCCCCC(=O)NO T33614 [0,2,0,0,0,0|0,0,1]=3 113 B12R0.248 CCCCCCCCCC(=O)OC T33337 [0,2,0,0,0,0|0,0,1]=3 114 B12R0.4 CCCCCCCC(O)CC(O)=O T7565 [0,2,0,0,0,0|0,0,1]=3 115 B12R0.251 CCCCCCCC[C@@H](C)C(O)=O T31341 [0,2,0,0,0,0|0,0,1]=3 116 B12R0.251 CCCCCCCC[C@H](O)C(O)=O T29352 [0,2,0,0,0,0|0,0,1]=3 117 B12R0.233 CCCCCC(=O)CCCC(O)=O T29465 [0,2,0,0,0,0|0,0,2]=4 118 B12R0.233 CCCCCC(O)CCCC([O-])=O T29457 [0,2,0,0,0,0|0,0,2]=4 119 B12R0.268 CC(=O)CCCCCCCC(O)=O T31343 [0,2,0,0,0,0|0,0,2]=4 120 B12R1.550 C1COCCOCCOCCO1 T19730 [0,1,0,1,0,0|2,0,0]=4 121 B12R1.28 CCCCCC1CCCC(=O)O1 T40815 [0,1,0,1,0,0|0,0,1]=3 122 B12R1.7 CCCCCCC1CCC(=O)O1 T8078 [0,1,0,1,0,0|0,0,1]=3 123 B12R1.252 OC(=O)CCCC1CCCCC1 T20374 [0,1,0,1,0,0|0,0,1]=3 124 B12R2.1081 OC1CCCC2CCCCC12 T31290 [0,0,0,2,0,0|0,0,0]=2 125 B12R2.18 [C@@H]12CCCCN1C[C@H](O)[C@H]2O T25662 [0,0,0,2,0,0|2,0,0]=4