0 B9R0.45 BrCCOCCOCCBr T14788 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 C=CCCCCCCCC T21040 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.45 CCCC/C=C\CCCC T31276 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 CCCCCCCCCO TN6912 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.45 CSCCCCCN=C=S T26776 [0,0,0,0,0,0|2,1,1]=4 5 B9R0.45 ICCOCCOCCI T17319 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 NCCCCNCCCN T4893 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.45 NCCCCNCCCN T5080 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.45 NCCNCCNCCN T21300 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.45 NCCOCCOCCN T16663 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.45 NCCOCCOCCO T16312 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.45 OCCCCCCN=[N+]=[N-] T38953 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.45 OCCOCCOCC#C T16603 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.45 OCCOCCOCCBr T14770 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.45 OCCOCCOCCO T16665 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.45 OCCOCCOCCS T20973 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.4 NCCCCCCCN T7998 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.1 CCCCCCC(Cl)CCC T29433 [0,1,0,0,0,0|1,0,0]=2 18 B10R0.1 CCCCCC[C@H](C)CCC T31329 [0,1,0,0,0,0|1,0,0]=2 19 B10R0.1 CCCCCC[C@H](O)CCC T21104 [0,1,0,0,0,0|1,0,0]=2 20 B10R0.4 C(CCCCC)CCC(C)C T29356 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.4 CC(=O)CCCCCCC=C T29489 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.4 CCCCCCCCC(C)C T31326 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.4 CCCCCCCCC(O)=O T3947 [0,1,0,0,0,0|0,0,1]=2 24 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [0,1,0,0,0,0|1,0,0]=2 25 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [0,1,0,0,0,0|0,0,0]=1 26 B10R0.4 CCCCCCCOC(C)=O TN6701 [0,1,0,0,0,0|1,0,2]=4 27 B10R0.4 NCCCCCCCC(O)=O T8102 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.71 C(CCCCC)CCCCCl T21123 [0,1,0,0,0,0|1,0,0]=2 29 B10R0.71 C(CCCCC)CCCCO T21101 [0,1,0,0,0,0|0,0,0]=1 30 B10R0.71 C(CCCCC)CCCCO T30679 [0,1,0,0,0,0|0,0,0]=1 31 B10R0.71 CCCCCCCCCC#N T21184 [0,1,0,0,0,0|1,0,0]=2 32 B10R0.71 CCCCCCCCCC=O T8086 [0,1,0,0,0,0|0,0,1]=2 33 B10R0.71 CCCCCCCCCCBr T31355 [0,1,0,0,0,0|1,0,0]=2 34 B10R0.71 CCCCCCCCCCC TN2458 [0,1,0,0,0,0|1,0,0]=2 35 B10R0.71 CCCCCCCCCCCl T30897 [0,1,0,0,0,0|1,0,0]=2 36 B10R0.71 CCCCCCCCCCF T21116 [0,1,0,0,0,0|1,0,0]=2 37 B10R0.71 CCCCCCCCCCI T21125 [0,1,0,0,0,0|1,0,0]=2 38 B10R0.71 CCCCCCCCCCO T31347 [0,1,0,0,0,0|0,0,0]=1 39 B10R0.71 CCCCCSCCCCC T20315 [0,1,0,0,0,0|1,0,0]=2 40 B10R0.71 CNCCOCCOCCO T16457 [0,1,0,0,0,0|2,0,0]=3 41 B10R0.71 COCCOCCOCCN T15851 [0,1,0,0,0,0|3,0,0]=4 42 B10R0.71 COCCOCCOCCO T15860 [0,1,0,0,0,0|2,0,0]=3 43 B10R0.71 COCCOCCOCCS T18184 [0,1,0,0,0,0|2,1,0]=4 44 B10R0.71 OCCCCCCCCC#C T17346 [0,1,0,0,0,0|0,0,1]=2 45 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,1,0,0,0,0|2,0,1]=4 46 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [0,1,0,0,0,0|1,0,0]=2 47 B10R0.91 CCCCCC(=O)CCCC T29451 [0,1,0,0,0,0|1,0,1]=3 48 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [0,1,0,0,0,0|1,0,0]=2 49 B10R0.91 CCCCC[C@H](O)CCCC T31301 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.1 CCCCCCCO TN6893 [2,0,0,0,0,0|0,0,0]=2 51 B7R0.1 CCCSSCCC TN6758 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.1 CNCCOCCO T32120 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.2 CCCCCCCC(C)=O T29360 [1,1,0,0,0,0|0,0,1]=3 54 B9R0.2 CCCCCCCC(C)O TN6692 [1,1,0,0,0,0|0,0,0]=2 55 B9R0.2 CCCCCCCC(O)=O T3946 [1,1,0,0,0,0|0,0,1]=3 56 B11R0.2 CCCCCCC(C)CC(C)C T31323 [0,2,0,0,0,0|1,0,0]=3 57 B11R0.4 CCCCCCCC(OCC)=O TN6743 [0,2,0,0,0,0|1,0,1]=4 58 B11R0.5 CCCCC(C)CC(C)CCC T31328 [0,2,0,0,0,0|1,0,0]=3 59 B11R0.81 CCCCCOC(=O)CCCC T20310 [0,2,0,0,0,0|1,0,1]=4 60 B11R0.176 OC(=O)CCCCC(S)CCS T21233 [0,2,0,0,0,0|1,0,1]=4 61 B11R0.176 OC(=O)CCCC[C@@H](S)CCS T21234 [0,2,0,0,0,0|1,0,1]=4 62 B11R0.40 CCCCCCCCC(=C)C=O T31306 [0,2,0,0,0,0|0,0,2]=4 63 B11R0.40 CCCCCCCCC(=O)C=O T31307 [0,2,0,0,0,0|0,0,2]=4 64 B11R0.40 CCCCCCCCC(=O)OC TN6918 [0,2,0,0,0,0|0,0,1]=3 65 B11R0.40 CCCCCCCCC(C)C#N T21189 [0,2,0,0,0,0|1,0,0]=3 66 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [0,2,0,0,0,0|0,0,1]=3 67 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [0,2,0,0,0,0|0,0,0]=2 68 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [0,2,0,0,0,0|0,0,1]=3 69 B11R0.42 CCCCCCCC(C)C(C)C T31332 [0,2,0,0,0,0|1,0,0]=3 70 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [0,2,0,0,0,0|1,0,0]=3 71 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [0,2,0,0,0,0|0,0,2]=4 72 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [0,2,0,0,0,0|0,0,2]=4 73 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,2,0,0,0,0|0,0,1]=3 74 B11R0.148 CCCCCCCCCC(C)O T22221 [0,2,0,0,0,0|0,0,0]=2 75 B11R0.148 CCCCCCCCCC(F)=O T31304 [0,2,0,0,0,0|0,0,1]=3 76 B11R0.148 CCCCCCCCCC(N)=O T31308 [0,2,0,0,0,0|0,0,1]=3 77 B11R0.148 CCCCCCCCCC(O)=O T30126 [0,2,0,0,0,0|0,0,0]=2 78 B11R0.148 CCCCCCCCCC(O)=O T33472 [0,2,0,0,0,0|0,0,0]=2 79 B11R0.148 CCCCCCCCCC(O)=O T33485 [0,2,0,0,0,0|0,0,0]=2 80 B11R0.148 CCCCCCCCCC(O)=O T3379 [0,2,0,0,0,0|0,0,0]=2 81 B11R0.148 CCCCCCCCCC(O)=O T34161 [0,2,0,0,0,0|0,0,0]=2 82 B11R0.148 CCCCCCCCCC([O-])=O T21240 [0,2,0,0,0,0|0,0,1]=3 83 B11R0.148 CCCCCCCCCC([O-])=O T30689 [0,2,0,0,0,0|0,0,1]=3 84 B11R0.148 CCCCCCCCCC([O-])=O T30994 [0,2,0,0,0,0|0,0,1]=3 85 B11R0.148 CCCCCCCCCC([O-])=O T31345 [0,2,0,0,0,0|0,0,1]=3 86 B11R0.148 CCCCCCCCCC([O-])=O T33164 [0,2,0,0,0,0|0,0,1]=3 87 B11R0.148 CCCCCCCCCC([O-])=O T34116 [0,2,0,0,0,0|0,0,1]=3 88 B11R0.148 CCCCCCCCCC([O-])=O T35308 [0,2,0,0,0,0|0,0,1]=3 89 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,2,0,0,0,0|0,0,2]=4 90 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [0,2,0,0,0,0|0,0,2]=4 91 B11R0.3 BrCCCCCCCCCCBr T21133 [0,2,0,0,0,0|1,0,0]=3 92 B11R0.3 C(CCCCC[NH3+])CCCC[NH3+] T29266 [0,2,0,0,0,0|1,0,0]=3 93 B11R0.3 CCCCCC/C=C/CCC=O T29255 [0,2,0,0,0,0|0,0,2]=4 94 B11R0.3 CCCCCCCCCCC=O TN6898 [0,2,0,0,0,0|0,0,1]=3 95 B11R0.3 CCCCCCCCCCCC TN6897 [0,2,0,0,0,0|1,0,0]=3 96 B11R0.3 CCCCCCCCCCCO T7480 [0,2,0,0,0,0|0,0,0]=2 97 B11R0.3 CCCCCCCCCCOC T31321 [0,2,0,0,0,0|0,0,0]=2 98 B11R0.3 COCCOCCOCCCO T15856 [0,2,0,0,0,0|1,0,0]=3 99 B11R0.3 COCCOCCOCCON T15852 [0,2,0,0,0,0|2,0,0]=4 100 B11R0.3 FCCCCCCCCCCBr T31319 [0,2,0,0,0,0|1,0,0]=3 101 B11R0.3 FCCCCCCCCCCCl T31320 [0,2,0,0,0,0|1,0,0]=3 102 B11R0.3 FCCCCCCCCCCF T31317 [0,2,0,0,0,0|1,0,0]=3 103 B11R0.3 ICCCCCCCCCCI T21134 [0,2,0,0,0,0|1,0,0]=3 104 B11R0.3 N#CCCCCCCCCC#N T21149 [0,2,0,0,0,0|1,0,1]=4 105 B11R0.3 OCCCCCCCCCC=C T22216 [0,2,0,0,0,0|0,0,0]=2 106 B11R0.3 OCCCCCCCCCCF T31348 [0,2,0,0,0,0|0,0,0]=2 107 B11R0.3 OCCCCCCCCCCO T21096 [0,2,0,0,0,0|0,0,0]=2 108 B11R0.3 SCCCCCCCCCCS T21143 [0,2,0,0,0,0|0,1,0]=3 109 B11R0.11 CCCCC(O)C(O)CCCC T31335 [0,2,0,0,0,0|1,0,0]=3 110 B9R1.8 CCCC1NCCCC1 TN3695 [1,0,0,1,0,0|1,0,0]=3 111 B9R1.8 OCCN1CCCCC1 T33732 [1,0,0,1,0,0|1,0,0]=3 112 B9R1.50 OC1CCC/C=C/CC1 T18751 [1,0,0,1,0,0|0,0,2]=4 113 B9R1.50 O[C@@H]1CCC/C=C/CC1 T18648 [1,0,0,1,0,0|0,0,2]=4 114 B11R1.24 CCCCC1CCCC(=O)O1 TN6697 [0,1,0,1,0,0|0,0,1]=3 115 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [0,1,0,1,0,0|0,0,1]=3 116 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C TN4615 [0,1,0,1,0,0|1,0,0]=3 117 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C TN4612 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.28 NCCCNC1CCCCC1 T35878 [0,1,0,1,0,0|1,0,0]=3 119 B11R2.4 N[C@@H]1C[C@H]1C2CCCCC2 T24718 [0,0,0,2,0,0|1,0,0]=3