0 B6R0.6 CC/C=C\CCO T22295 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 CCC/C=C/CO TN5162 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 CCCCCCO TN6891 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 ClCCCCC#N T20456 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 ClCCNCCCl T0565 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 NCCCCCN T4895 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.6 NCCOCC#C T16586 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 NCCOCCN T14009 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.6 NOCCCON T13990 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 OCCOCC#C T16656 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 OCCOCCBr T14787 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 OCCOCCO T21019 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 CCCSSC T39668 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.2 NCCCCN T22213 [1,0,0,0,0,0|0,0,0]=1 14 B7R0.1 CCCCCCCO TN6893 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.1 CCCSSCCC TN6758 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.1 CNCCOCCO T32120 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.1 COCCOCCBr T18161 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.1 COCCOCCN T15842 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.1 NCCCNCCS TQ0133 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.1 NCCSSCCN T15035 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.1 NCCSSCCN T20109 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.1 NCCSSCCO T14257 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.1 NOCCOCC#C T14260 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.1 NOCCOCCO T14261 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.4 NCCCCC(O)=O T5089 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.3 NN1CCCCC1 T0533 [0,0,0,1,0,0|3,0,0]=4 27 B4R0.2 CCNCC T31448 [2,0,0,0,0,0|0,0,0]=2 28 B4R0.2 CCNCC T9038 [2,0,0,0,0,0|0,0,0]=2 29 B4R0.2 CNCCO TN2779 [2,0,0,0,0,0|1,0,0]=3 30 B4R0.2 NCCC#N T13475 [2,0,0,0,0,0|0,0,2]=4 31 B4R0.2 OCCCO T40585 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.1 COC(=O)CCN T8097 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.4 CN(C)NCCCl T32428 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.4 NCCCC(O)=O T0508 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.4 NCCSC(N)=N T7543 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.4 COCCOCCON T15843 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.4 NCCCCCCCN T7998 [0,2,0,0,0,0|1,0,0]=3 38 B8R0.4 NCCOCCN=[N+]=[N-] T14402 [0,2,0,0,0,0|1,0,1]=4 39 B8R0.4 NOCCOCCON T14617 [0,2,0,0,0,0|1,0,0]=3 40 B8R0.6 NCCCCC(N)CS T33070 [0,2,0,0,0,0|1,0,0]=3 41 B8R0.7 NCCCCCC(O)=O T0881 [0,2,0,0,0,0|2,0,0]=4 42 B8R0.7 NCCCCNC(N)=N T4808 [0,2,0,0,0,0|1,0,1]=4 43 B8R0.7 NCCCCNC(N)=N T4808L [0,2,0,0,0,0|1,0,1]=4 44 B8R0.7 NCCOCCC(O)=O T14222 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.28 CC(C)CCCC(C)N T22389 [0,2,0,0,0,0|2,0,0]=4 46 B6R1.2 CC1=NCCN1 T21052 [1,0,0,1,0,0|0,0,2]=4 47 B6R1.2 O=C1NCCN1 T0630 [1,0,0,1,0,0|1,0,1]=4 48 B6R1.2 S=C1NCCN1 T20110 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.5 NC1CCCNC1=O T13495 [0,1,0,1,0,0|1,0,1]=4 50 B8R1.5 N[C@@H]1CCCC[C@H]1N T0164 [0,1,0,1,0,0|1,0,0]=3 51 B8R1.22 O=C1CCCCCN1 T20386 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.22 O=C1NCCCCC1 T20195 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.22 O=C1NCCCCC1 T32363 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.4 CC1CCCC(C)N1 T1007 [0,1,0,1,0,0|2,0,0]=4