0 B18R0.221 CCCCCCCCCCCCCCCCCCBr SBB060200 [0,0,0,0,0,0|1,0,0]=1 1 B18R0.221 CCCCCCCCCCCCCCCCCCC SBB058691 [0,0,0,0,0,0|1,0,0]=1 2 B18R0.221 CCCCCCCCCCCCCCCCCCCl SBB059963 [0,0,0,0,0,0|1,0,0]=1 3 B18R0.221 CCCCCCCCCCCCCCCCCCI SBB007776 [0,0,0,0,0,0|1,0,0]=1 4 B18R0.221 CCCCCCCCCCCCCCCCCCN SBB040959 [0,0,0,0,0,0|0,0,0]=0 5 B18R0.221 CCCCCCCCCCCCCCCCCCO SBB060168 [0,0,0,0,0,0|1,0,0]=1 6 B18R0.221 CCCCCCCCCCCCCCCCCCS SBB066558 [0,0,0,0,0,0|1,0,0]=1 7 B18R0.221 CCCCCCCCCCCCCCCCSCC SBB061293 [0,0,0,0,0,0|2,0,0]=2 8 B18R0.221 CCCCCCCCCCCCCCNCCCO SBB059759 [0,0,0,0,0,0|2,0,0]=2 9 B18R0.221 CCCCCCCCCCCCOCCOCCCl SBB060750 [0,0,0,0,0,0|3,0,0]=3 10 B18R0.221 CCCCCCCCCCCCOCCOCCO SBB060181 [0,0,0,0,0,0|3,0,0]=3 11 B18R0.221 CCCCCCCCCCCCSCCOCCO SBB056591 [0,0,0,0,0,0|3,0,0]=3 12 B18R0.221 CCCCCCCCCNCCCCCCCCC SBB073017 [0,0,0,0,0,0|2,0,0]=2 13 B18R0.221 CCCCCCCCCSCCCCCCCCC SBB060114 [0,0,0,0,0,0|2,0,0]=2 14 B18R0.221 CCCCCCCSCCCSCCCCCCC SBB061308 [0,0,0,0,0,0|3,0,0]=3 15 B18R0.221 CCCCCCSCCOCCSCCCCCC SBB061095 [0,0,0,0,0,0|4,0,0]=4 16 B18R0.221 NCCCCCCCC\C=C\CCCCCCCC SBB003056 [0,0,0,0,0,0|0,0,2]=2 17 B18R0.221 [NH2+](CCCC)CCCCCCCCCCCCCC SBB061645 [0,0,0,0,0,0|2,0,0]=2 18 B17R0.117 C=CCCCCCCCCCCCCCCCC SBB009114 [1,0,0,0,0,0|0,0,2]=3 19 B17R0.117 CCCCCCCCCCCCCCCCCC SBB061159 [1,0,0,0,0,0|0,0,0]=1 20 B17R0.117 CCCCCCCCCCCCCCCCNC SBB059824 [1,0,0,0,0,0|1,0,0]=2 21 B17R0.117 CCCCCCCCCCCCCCNCCO SBB059827 [1,0,0,0,0,0|2,0,0]=3 22 B17R0.117 CCCCCCCCCCCCCCOCCO SBB060177 [1,0,0,0,0,0|2,0,0]=3 23 B17R0.117 CCCCCCCCSSCCCCCCCC SBB061508 [1,0,0,0,0,0|2,0,0]=3 24 B17R0.117 OCCCCCCCCCCCCCCCCO SBB071703 [1,0,0,0,0,0|2,0,0]=3 25 B19R0.36 CCCCCCCCCCCCCCCCCCCC SBB060078 [0,1,0,0,0,0|1,0,0]=2 26 B19R0.36 CCCCCCCCCCCCCCCCNCCO SBB059829 [0,1,0,0,0,0|1,0,0]=2 27 B19R0.36 CCCCCCCCCCOCCOCCOCCCl SBB056525 [0,1,0,0,0,0|3,0,0]=4 28 B19R0.36 CCCCCCCCCCOCCOCCOCCO SBB056742 [0,1,0,0,0,0|3,0,0]=4 29 B19R0.36 CCCCCCCCCCSCCOCCOCCO SBB061069 [0,1,0,0,0,0|3,0,0]=4 30 B19R0.36 [NH2+](CCO)CCCCCCCCCCCCCCCC SBB059832 [0,1,0,0,0,0|1,0,0]=2 31 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O SBB060276 [0,1,0,0,0,0|1,0,1]=3 32 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=O SBB061048 [0,1,0,0,0,0|0,0,1]=2 33 B19R0.149 CCCCCCCCCCCCCCCCOC(C)=O SBB061100 [0,1,0,0,0,0|2,0,1]=4 34 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC SBB061075 [0,1,0,0,0,0|2,0,1]=4 35 B19R0.25648 CCCCCCCCCCCCCC(=O)OCCCC SBB060595 [0,1,0,0,0,0|2,0,1]=4 36 B19R0.26208 CCCCCCCCCN(C)CCCCCCCCC SBB061498 [0,1,0,0,0,0|2,0,0]=3 37 B19R0.26208 CCCCCCCCCS(=O)CCCCCCCCC SBB060670 [0,1,0,0,0,0|2,0,0]=3 38 B19R1.275 CCCCCCCCCCCCNC1CCCCC1 SBB059775 [0,0,0,1,0,0|2,0,0]=3 39 B19R1.3745 CCCCCCCCCCCCCCN1CCCC1 SBB057432 [0,0,0,1,0,0|2,0,0]=3 40 B16R0.303 C#CCCCCCCCCCCCCCCC SBB008775 [2,0,0,0,0,0|0,0,2]=4 41 B16R0.303 CCCCCCCCCCCCCCCC=O SBB062944 [2,0,0,0,0,0|1,0,1]=4 42 B16R0.303 CCCCCCCCCCCCCCCCBr SBB059943 [2,0,0,0,0,0|1,0,0]=3 43 B16R0.303 CCCCCCCCCCCCCCCCCl SBB059962 [2,0,0,0,0,0|1,0,0]=3 44 B16R0.303 CCCCCCCCCCCCCCCCN SBB040889 [2,0,0,0,0,0|0,0,0]=2 45 B16R0.303 CCCCCCCCCCCCCCCCO SBB060167 [2,0,0,0,0,0|1,0,0]=3 46 B16R0.303 CCCCCCCCCCCCCCCCS SBB066559 [2,0,0,0,0,0|1,0,0]=3 47 B16R0.303 CCCCCCCCCCCCOCCCN SBB056552 [2,0,0,0,0,0|1,0,0]=3 48 B16R0.303 CCCCCCCCNCCCCCCCC SBB059804 [2,0,0,0,0,0|1,0,0]=3 49 B16R0.303 CCCCCCCCOCCCCCCCC SBB060060 [2,0,0,0,0,0|1,0,0]=3 50 B16R0.303 CCCCCCCCSCCCCCCCC SBB060668 [2,0,0,0,0,0|1,0,0]=3 51 B16R0.303 [NH2+](CCCC)CCCCCCCCCCCC SBB061644 [2,0,0,0,0,0|1,0,0]=3 52 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC SBB060596 [1,1,0,0,0,0|1,0,1]=4 53 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O SBB060275 [1,1,0,0,0,0|1,0,1]=4 54 B18R0.176 CCCCCCCCCCCCCCCCN(C)C SBB060245 [1,1,0,0,0,0|1,0,0]=3 55 B20R0.2932 CCCCCCCCCCCCCCCCCCCCBr SBB060496 [0,2,0,0,0,0|1,0,0]=3 56 B20R0.2932 CCCCCCCCCCCCCCCCCCCCC SBB061284 [0,2,0,0,0,0|1,0,0]=3 57 B20R0.2932 CCCCCCCCCCCCCCCCCCCCCl SBB061096 [0,2,0,0,0,0|1,0,0]=3 58 B20R0.2932 CCCCCCCCCCCCCCCCCCCCO SBB060169 [0,2,0,0,0,0|1,0,0]=3 59 B20R0.2932 CCCCCCCCCCCCCCCCNCCCC SBB059769 [0,2,0,0,0,0|1,0,0]=3 60 B20R0.2932 CCCCCCCCCCCCCCCCNCCCO SBB059760 [0,2,0,0,0,0|1,0,0]=3 61 B20R0.2932 CCCCCCCCCCNCCCCCCCCCC SBB059803 [0,2,0,0,0,0|1,0,0]=3 62 B20R0.2932 CCCCCCCCCCSCCCCCCCCCC SBB060115 [0,2,0,0,0,0|1,0,0]=3 63 B20R0.2932 [NH2+](CCCC)CCCCCCCCCCCCCCCC SBB061642 [0,2,0,0,0,0|1,0,0]=3 64 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC SBB060319 [0,2,0,0,0,0|1,0,1]=4 65 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CCl SBB061382 [0,2,0,0,0,0|1,0,1]=4 66 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CCl SBB060762 [0,2,0,0,0,0|1,0,1]=4 67 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O SBB058692 [0,2,0,0,0,0|1,0,0]=3 68 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C SBB061366 [0,2,0,0,0,0|0,0,0]=2 69 B20R0.31940 CCCCCCCCCCCCCCCCNCC(C)O SBB059798 [0,2,0,0,0,0|1,0,0]=3 70 B20R0.32083 CCCCCCCCCCCCCCCC(=O)OCCCl SBB060757 [0,2,0,0,0,0|1,0,1]=4 71 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O SBB071685 [0,2,0,0,0,0|1,0,1]=4 72 B20R0.16960 CCCCCCCCCS(=O)(=O)CCCCCCCCC SBB056848 [0,2,0,0,0,0|2,0,0]=4 73 B18R1.1261 CCCCCCCCCCCCN1CCCCC1 SBB061045 [1,0,0,1,0,0|1,0,0]=3 74 B18R1.1261 CCCCCCCCCCCCN1CCNCC1 SBB056556 [1,0,0,1,0,0|2,0,0]=4 75 B18R1.1261 CCCCCCCCCCCCN1CCOCC1 SBB061038 [1,0,0,1,0,0|2,0,0]=4 76 B18R1.1261 [NH+]1(CCCCCCCCCCCC)CCOCC1 SBB057498 [1,0,0,1,0,0|2,0,0]=4 77 B20R1.3310 CCCCCCCCCCCCCCN1CCCCC1 SBB061046 [0,1,0,1,0,0|1,0,0]=3 78 B20R1.3310 CCCCCCCCCCCCCCN1CCOCC1 SBB061039 [0,1,0,1,0,0|2,0,0]=4