0 B7R0.1 CCCCCCCO TN6893 [0,0,0,0,0,0|0,1,0]=1 1 B7R0.1 CCCSSCCC TN6758 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.1 CNCCOCCO T32120 [0,0,0,0,0,0|2,1,0]=3 3 B7R0.1 COCCOCCBr T18161 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 COCCOCCN T15842 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 CSCCCN=C=S T7873 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 NCCCNCCS TQ0133 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 NCCSSCCN T15035 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.1 NCCSSCCN T20109 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.1 NCCSSCCO T14257 [0,0,0,0,0,0|3,1,0]=4 10 B7R0.1 NOCCOCCO T14261 [0,0,0,0,0,0|3,1,0]=4 11 B6R0.6 CC/C=C\CCO T22295 [1,0,0,0,0,0|0,1,2]=4 12 B6R0.6 CCC/C=C/CO TN5162 [1,0,0,0,0,0|0,1,2]=4 13 B6R0.6 CCCCCCO TN6891 [1,0,0,0,0,0|0,1,0]=2 14 B6R0.6 CCCCN=C=S TN6757 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 ClCCCCC#N T20456 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 ClCCNCCCl T0565 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 NCCCCCN T4895 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 NCCOCCN T14009 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 OCCOCCBr T14787 [1,0,0,0,0,0|2,1,0]=4 20 B6R0.6 OCCOCCO T21019 [1,0,0,0,0,0|2,1,0]=4 21 B8R0.4 COCCOCCON T15843 [0,1,0,0,0,0|2,1,0]=4 22 B8R0.4 CSCCCCN=C=S T27282 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.4 NCCCCCCCN T7998 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.6 CCCCCC(O)CC TN1267 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.6 NCCCCC(N)CS T33070 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.7 CC(=O)NCCCCN T7508 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.7 CCCCCCC(C)=O TN6693 [0,1,0,0,0,0|0,1,1]=3 28 B8R0.7 NCCCCCC(O)=O T0881 [0,1,0,0,0,0|1,1,1]=4 29 B8R1.5 CC1CCCCC1=O T36789 [0,0,0,1,0,0|0,1,1]=3 30 B8R1.5 N[C@@H]1CCCC[C@H]1N T0164 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.5 O[C@@H]1CCCC[C@H]1O T4763 [0,0,0,1,0,0|1,1,0]=3 32 B8R1.5 O[C@H]1CCCC[C@H]1O TN6922 [0,0,0,1,0,0|1,1,0]=3 33 B8R1.22 O=C1CCCCCN1 T20386 [0,0,0,1,0,0|1,1,1]=4 34 B8R1.22 O=C1NCCCCC1 T20195 [0,0,0,1,0,0|1,1,1]=4 35 B8R1.22 O=C1NCCCCC1 T32363 [0,0,0,1,0,0|1,1,1]=4 36 B5R0.2 CCCSSC T39668 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.2 NCCCCN T22213 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.2 CC(=O)NCCCCCN T5222 [0,2,0,0,0,0|1,0,1]=4 39 B9R0.2 CCCCCCCC(C)=O T29360 [0,2,0,0,0,0|0,1,0]=3 40 B9R0.2 CCCCCCCC(C)O TN6692 [0,2,0,0,0,0|0,1,0]=3 41 B9R0.2 CCCCCCCC(O)=O T3946 [0,2,0,0,0,0|0,1,0]=3 42 B9R0.2 CCCCCNCC(N)=O T24465 [0,2,0,0,0,0|0,1,1]=4 43 B9R0.2 CCCCCNCC(N)=O T50055 [0,2,0,0,0,0|0,1,1]=4 44 B9R0.45 BrCCOCCOCCBr T14788 [0,2,0,0,0,0|2,0,0]=4 45 B9R0.45 C=CCCCCCCCC T21040 [0,2,0,0,0,0|1,0,0]=3 46 B9R0.45 CCCC/C=C\CCCC T31276 [0,2,0,0,0,0|1,0,0]=3 47 B9R0.45 CCCCCCCCCO TN6912 [0,2,0,0,0,0|0,1,0]=3 48 B9R0.45 CSCCCCCN=C=S T26776 [0,2,0,0,0,0|0,0,2]=4 49 B9R0.45 ICCOCCOCCI T17319 [0,2,0,0,0,0|2,0,0]=4 50 B9R0.45 NCCCCNCCCN T4893 [0,2,0,0,0,0|1,0,0]=3 51 B9R0.45 NCCCCNCCCN T5080 [0,2,0,0,0,0|1,0,0]=3 52 B9R0.45 NCCNCCNCCN T21300 [0,2,0,0,0,0|2,0,0]=4 53 B9R0.45 NCCOCCOCCN T16663 [0,2,0,0,0,0|2,0,0]=4 54 B9R0.45 NCCOCCOCCO T16312 [0,2,0,0,0,0|1,1,0]=4 55 B9R0.45 OCCCCCCN=[N+]=[N-] T38953 [0,2,0,0,0,0|1,1,0]=4 56 B9R0.45 OCCOCCOCCBr T14770 [0,2,0,0,0,0|1,1,0]=4 57 B9R0.45 OCCOCCOCCO T16665 [0,2,0,0,0,0|1,1,0]=4 58 B9R0.45 OCCOCCOCCS T20973 [0,2,0,0,0,0|1,0,0]=3 59 B9R0.47 CCCCCC(C)C(O)=O T8008 [0,2,0,0,0,0|0,1,1]=4 60 B7R1.3 CC1CCOCO1 T21291 [1,0,0,1,0,0|1,1,0]=4 61 B7R1.3 NN1CCCCC1 T0533 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.8 CCCC1NCCCC1 TN3695 [0,1,0,1,0,0|1,0,0]=3 63 B9R1.8 OCCN1CCCCC1 T33732 [0,1,0,1,0,0|0,1,0]=3 64 B9R1.50 OC1CCC/C=C/CC1 T18751 [0,1,0,1,0,0|0,1,1]=4 65 B9R1.50 O[C@@H]1CCC/C=C/CC1 T18648 [0,1,0,1,0,0|0,1,1]=4 66 B9R1.6 OC(=O)C1CCCCC1 T5563 [0,1,0,1,0,0|0,1,1]=4 67 B9R1.6 [O-][N+](=O)C1CCCCC1 T20405 [0,1,0,1,0,0|1,1,0]=4 68 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|0,1,1]=4