0 B19R0.182 CCCCCCC=CCCCCCCCC(=O)OCC TS54561 [0,0,0,0,0,0|0,0,2]=2 1 B19R0.182 CCCCCCC=CCCCCCCCC(=O)OCC TS54563 [0,0,0,0,0,0|0,0,2]=2 2 B19R0.182 CCCCCCCCCCCCCCCC(=O)OC=C TS54560 [0,0,0,0,0,0|0,0,2]=2 3 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC TS34776 [0,0,0,0,0,0|0,0,0]=0 4 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC TS30867 [1,0,0,0,0,0|0,0,0]=1 5 B18R0.110 CCCCCCCCCCCCCOC(=O)CCS TS57975 [1,0,0,0,0,0|3,0,0]=4 6 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC TS73795 [1,0,0,0,0,0|0,0,2]=3 7 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC TS73797 [1,0,0,0,0,0|0,0,2]=3 8 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC TS30864 [1,0,0,0,0,0|0,0,0]=1 9 B18R0.171 CCCCCCCCCCCCCCCC(C)CC TS30595 [1,0,0,0,0,0|1,0,1]=3 10 B18R0.221 CCCCCCCCCCCCCCCCCCBr TS78075 [1,0,0,0,0,0|2,0,1]=4 11 B18R0.221 CCCCCCCCCCCCCCCCCCC TS30596 [1,0,0,0,0,0|1,0,1]=3 12 B18R0.221 CCCCCCCCCCCCCCCCCCCl TS57987 [1,0,0,0,0,0|2,0,1]=4 13 B18R0.221 CCCCCCCCCCCCCCCCCCN TS60542 [1,0,0,0,0,0|2,0,1]=4 14 B18R0.221 CCCCCCCCCCCCCCCCCCN TS63610 [1,0,0,0,0,0|2,0,1]=4 15 B18R0.221 CCCCCCCCCCCCCCCCCCN TS73921 [1,0,0,0,0,0|2,0,1]=4 16 B18R0.221 CCCCCCCCCCCCCCCCCCO TS30877 [1,0,0,0,0,0|2,0,1]=4 17 B18R0.221 CCCCCCCCCCCCCCCCCCS TS54967 [1,0,0,0,0,0|2,0,1]=4 18 B18R0.221 CCCCCCCCCCCCCCCCCC[Si] TS34794 [1,0,0,0,0,0|1,1,1]=4 19 B18R0.221 CCCCCCCCCCCCCCCCOC=C TS73805 [1,0,0,0,0,0|0,0,3]=4 20 B18R0.221 CCCCCCCCCNCCCCCCCCC TS73923 [1,0,0,0,0,0|2,0,1]=4 21 B18R0.221 CCCCCCCCCOCCCCCCCCC TS84196 [1,0,0,0,0,0|2,0,1]=4 22 B18R0.221 CCCCCCCCCSCCCCCCCCC TS54968 [1,0,0,0,0,0|2,0,1]=4 23 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC TS56073 [0,1,0,0,0,0|0,0,0]=1 24 B20R0.2931 CCCCCCCCCCCCCCCC(=O)OC(C)C TS56071 [0,1,0,0,0,0|0,0,0]=1 25 B20R0.2931 CCCCCCCCCCCCCCCC(=O)[N-]C(C)C TS55977 [0,1,0,0,0,0|1,0,0]=2 26 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCO TS74548 [0,1,0,0,0,0|1,0,0]=2 27 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCC=C TS58676 [0,1,0,0,0,0|0,0,1]=2 28 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCCC TS56075 [0,1,0,0,0,0|0,0,0]=1 29 B17R0.117 CCCCCCCCCCCCCCCCCBr TS61503 [2,0,0,0,0,0|1,0,1]=4 30 B17R0.117 CCCCCCCCCCCCCCCCCC TS28692 [2,0,0,0,0,0|0,0,1]=3 31 B17R0.117 CCCCCCCCCCCCCCCCCN TS67766 [2,0,0,0,0,0|1,0,1]=4 32 B17R0.117 CCCCCCCCCCCCCCCCCO TS67917 [2,0,0,0,0,0|1,0,1]=4 33 B17R0.117 CCCCCCCCCCCCCCCCCS TS74293 [2,0,0,0,0,0|1,0,1]=4 34 B17R0.117 CCCCCCCCCCCCCCCCC[Na] TS79456 [2,0,0,0,0,0|1,0,1]=4 35 B17R0.117 CCCCCCCCCCCCCCCCSC TS74292 [2,0,0,0,0,0|0,1,1]=4 36 B17R0.195 CCCCC=CCCCCCCCCC(=O)OC TS67635 [2,0,0,0,0,0|0,0,2]=4 37 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr TS61493 [2,0,0,0,0,0|1,0,0]=3 38 B17R0.195 CCCCCCCCCCCCCCC(=O)OC TS67897 [2,0,0,0,0,0|0,0,0]=2 39 B17R0.195 CCCCCCCCCCCCCCC(C)CC TS28691 [2,0,0,0,0,0|1,0,1]=4 40 B17R0.250 CCCCCCCCCCCCCC(=O)OC=C TS67639 [2,0,0,0,0,0|0,0,2]=4 41 B17R0.250 CCCCCCCCCCCCCC(=O)OCC TS67904 [2,0,0,0,0,0|0,0,0]=2 42 B17R0.250 CCCCCCCCCCCCOC(=O)CCC TS67902 [2,0,0,0,0,0|2,0,0]=4 43 B17R0.43 C(CCCCCCCBr)CCCCCCC(=O)O TS77281 [2,0,0,0,0,0|1,0,0]=3 44 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)O TS68180 [2,0,0,0,0,0|1,0,0]=3 45 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O TS67643 [2,0,0,0,0,0|0,0,2]=4 46 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O TS67634 [2,0,0,0,0,0|0,0,2]=4 47 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl TS33653 [2,0,0,0,0,0|1,0,0]=3 48 B17R0.43 CCCCCCCCCCCCCCCC(=O)N TS28822 [2,0,0,0,0,0|1,0,0]=3 49 B17R0.43 CCCCCCCCCCCCCCCC(=O)O TS28971 [2,0,0,0,0,0|0,0,0]=2 50 B17R0.43 CCCCCCCCCCCCCCCC(=O)O TS29099 [2,0,0,0,0,0|0,0,0]=2 51 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS29823 [2,0,0,0,0,0|0,0,1]=3 52 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS54183 [2,0,0,0,0,0|0,0,1]=3 53 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS58506 [2,0,0,0,0,0|0,0,1]=3 54 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS75420 [2,0,0,0,0,0|0,0,1]=3 55 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS83940 [2,0,0,0,0,0|0,0,1]=3 56 B17R0.43 CCCCCCCCCCCCCCCC(=S)O TS57976 [2,0,0,0,0,0|0,1,0]=3 57 B17R0.43 CCCCCCCCCCCCCCCC(C)C TS28689 [2,0,0,0,0,0|1,0,1]=4 58 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl TS31186 [2,0,0,0,0,0|2,0,0]=4 59 B19R0.25 CCOC(=O)CCCCCCCCCCC(=O)OCC TS34976 [1,1,0,0,0,0|1,0,1]=4 60 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC TS54557 [1,1,0,0,0,0|0,0,1]=3 61 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC TS54778 [1,1,0,0,0,0|0,0,0]=2 62 B19R0.148 CCCCCCCCCCCCCCCCC(C)CC TS34464 [1,1,0,0,0,0|1,0,1]=4 63 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr TS78974 [1,1,0,0,0,0|0,0,0]=2 64 B19R0.21221 CCC(C)CCCCCCCCCCCCC(=O)OC TS34780 [1,1,0,0,0,0|0,0,0]=2 65 B19R0.21384 CC(C)CCCCCCCCCCCCCC(=O)OC TS54777 [1,1,0,0,0,0|0,0,0]=2 66 B19R0.25811 CCCCCCCCCCCCCCCC(OC)OC TS54960 [1,1,0,0,0,0|0,0,2]=4 67 B19R0.36 CCCCCCCCCCCCCCCCCCCBr TS78869 [1,1,0,0,0,0|1,0,1]=4 68 B19R0.36 CCCCCCCCCCCCCCCCCCCC TS34467 [1,1,0,0,0,0|1,0,1]=4 69 B19R0.36 CCCCCCCCCCCCCCCCCCCN TS34664 [1,1,0,0,0,0|1,0,1]=4 70 B19R0.36 CCCCCCCCCCCCCCCCCCCO TS34789 [1,1,0,0,0,0|1,0,1]=4 71 B19R0.36 CCCCCCCCCCCCCCCCCCNC TS34663 [1,1,0,0,0,0|1,0,1]=4 72 B19R0.36 CCCCCCCCCCCCCCCCCCSC TS59010 [1,1,0,0,0,0|1,0,1]=4 73 B19R0.36 CCCCCCCCCCCCCCCCOCCO TS54961 [1,1,0,0,0,0|0,0,1]=3 74 B19R0.149 CCCCCCCCCCCCCCCCCC(C)C TS34462 [1,1,0,0,0,0|1,0,1]=4 75 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O TS34788 [1,1,0,0,0,0|1,0,1]=4 76 B19R0.26208 CCCCCCCCCC(C)CCCCCCCCC TS34466 [1,1,0,0,0,0|1,0,1]=4 77 B19R0.26208 CCCCCCCCCC(CCCCCCCCC)O TS34787 [1,1,0,0,0,0|1,0,1]=4 78 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)OCC TS76286 [0,2,0,0,0,0|0,0,2]=4 79 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)OCC TS76287 [0,2,0,0,0,0|0,0,2]=4 80 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OC=C TS76281 [0,2,0,0,0,0|0,0,2]=4 81 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC TS60888 [0,2,0,0,0,0|0,0,0]=2 82 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC TS60893 [0,2,0,0,0,0|0,0,0]=2 83 B21R0.2907 CCCCCCCCCCCC=CCCCCC(=O)OCC TS60890 [0,2,0,0,0,0|0,0,0]=2 84 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OC=C TS60892 [0,2,0,0,0,0|0,0,2]=4 85 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC TS76576 [0,2,0,0,0,0|0,0,0]=2 86 B21R0.36390 CCOC(=O)CCCCCCCCCCCCC(=O)OCC TS76721 [0,2,0,0,0,0|0,0,1]=3 87 B21R0.36393 CCCCCCCCCCCCCCCC(=O)N[C@H](C)CO TS76634 [0,2,0,0,0,0|1,0,0]=3 88 B21R0.36773 CCCCCCCCCCCCCCCC(=O)OCC(C)C TS76581 [0,2,0,0,0,0|0,0,0]=2 89 B19R1.53162 CCCCCCCCCCCCC1CC(=O)OC1=O TS30589 [1,0,0,1,0,0|1,0,1]=4 90 B19R1.275 CCCCCCCCCCCCCC1CCCCC1 TS30341 [1,0,0,1,0,0|1,0,1]=4 91 B21R1.106916 CCCCCCCCCCCCCCC1CC(=O)OC1=O TS35921 [0,1,0,1,0,0|0,0,1]=3