0 B17R0.117 CCCCCCCCCCCCCCOCCO MCULE-7801199331 [0,0,0,0,0,0|4,0,0]=4 1 B17R0.117 CCCCCCCCNCCOCCOCCO MCULE-7094593839 [0,0,0,0,0,0|3,0,0]=3 2 B17R0.117 CCCCCCCCOCCOCCOCCCl MCULE-9645402193 [0,0,0,0,0,0|3,0,0]=3 3 B17R0.117 CCCCCCCCOCCOCCOCCO MCULE-3965553168 [0,0,0,0,0,0|2,0,0]=2 4 B17R0.117 CCCCCCCCSCCOCCOCCO MCULE-4040036093 [0,0,0,0,0,0|2,1,0]=3 5 B17R0.117 CCCCCSCCOCCOCCOCCO MCULE-9684291024 [0,0,0,0,0,0|1,1,0]=2 6 B17R0.117 N#N=NCCOCCOCCOCCOCCBr MCULE-3883895855 [0,0,0,0,0,0|4,0,0]=4 7 B17R0.117 N#N=NCCOCCOCCOCCOCCN MCULE-8072414672 [0,0,0,0,0,0|4,0,0]=4 8 B17R0.117 N#N=NCCOCCOCCOCCOCCO MCULE-2813243032 [0,0,0,0,0,0|3,0,0]=3 9 B16R0.303 C#CCOCCOCCOCCOCCNC MCULE-9902737877 [1,0,0,0,0,0|2,0,1]=4 10 B16R0.303 C#CCOCCOCCOCCOCCOC MCULE-2700024823 [1,0,0,0,0,0|1,0,1]=3 11 B16R0.303 C#CCOCCOCCOCCOCCON MCULE-8731411048 [1,0,0,0,0,0|2,0,1]=4 12 B16R0.303 C=COCCOCCOCCOCCOCC MCULE-4107539893 [1,0,0,0,0,0|0,0,2]=3 13 B16R0.303 CCCCCCCCCCNCCOCCO MCULE-8259765985 [1,0,0,0,0,0|3,0,0]=4 14 B16R0.303 CCCCCCCCCCOCCOCCCl MCULE-7910049717 [1,0,0,0,0,0|3,0,0]=4 15 B16R0.303 CCCCCCCCCCOCCOCCO MCULE-7547044004 [1,0,0,0,0,0|2,0,0]=3 16 B16R0.303 CCCCCCCCCCSCCOCCO MCULE-8507672081 [1,0,0,0,0,0|2,1,0]=4 17 B16R0.303 CCCCCCCOCCOCCOCCCl MCULE-1511257099 [1,0,0,0,0,0|2,0,0]=3 18 B16R0.303 CCCCCCCOCCOCCOCCO MCULE-9465879167 [1,0,0,0,0,0|1,0,0]=2 19 B16R0.303 CCCCCCCSCCOCCOCCO MCULE-8187698190 [1,0,0,0,0,0|1,1,0]=3 20 B16R0.303 CCCCOCCOCCOCCOCCO MCULE-2313104678 [1,0,0,0,0,0|0,0,0]=1 21 B16R0.303 CCCCOCCOCCSCCOCCO MCULE-3549965025 [1,0,0,0,0,0|0,1,0]=2 22 B16R0.303 COCCOCCOCCOCCOCC=O MCULE-6479051422 [1,0,0,0,0,0|0,0,2]=3 23 B16R0.303 COCCOCCOCCOCCOCCBr MCULE-7244978811 [1,0,0,0,0,0|1,0,0]=2 24 B16R0.303 COCCOCCOCCOCCOCCCl MCULE-3725189466 [1,0,0,0,0,0|1,0,0]=2 25 B16R0.303 COCCOCCOCCOCCOCCI MCULE-6421387052 [1,0,0,0,0,0|1,0,0]=2 26 B16R0.303 COCCOCCOCCOCCOCCN MCULE-1674878787 [1,0,0,0,0,0|1,0,0]=2 27 B16R0.303 COCCOCCOCCOCCOCCO MCULE-1084878346 [1,0,0,0,0,0|0,0,0]=1 28 B16R0.303 COCCOCCOCCOCCOCCO MCULE-9478458618 [1,0,0,0,0,0|0,0,0]=1 29 B16R0.303 COCCOCCOCCOCCOCCS MCULE-1383672084 [1,0,0,0,0,0|0,1,0]=2 30 B16R0.303 N#CCCOCCOCCOCCOCCO MCULE-7233603104 [1,0,0,0,0,0|1,0,1]=3 31 B16R0.303 NCCOCCOCCOCCCCCCCl MCULE-4189635014 [1,0,0,0,0,0|3,0,0]=4 32 B16R0.303 NCCOCCOCCOCCCCCCCl MCULE-7089766837 [1,0,0,0,0,0|3,0,0]=4 33 B16R0.303 OCCOCCOCCOCCCCCCCl MCULE-8914030147 [1,0,0,0,0,0|2,0,0]=3 34 B18R0.171 COC(=O)CCOCCOCCOCCOCCO MCULE-8630998971 [0,1,0,0,0,0|2,0,0]=3 35 B18R0.221 BrCCOCCOCCOCCOCCOCCBr MCULE-5178076145 [0,1,0,0,0,0|1,0,0]=2 36 B18R0.221 C#CCOCCOCCOCCOCCOCC#C MCULE-4886202541 [0,1,0,0,0,0|1,0,2]=4 37 B18R0.221 C#CCOCCOCCOCCOCCOCCN MCULE-8046080995 [0,1,0,0,0,0|1,0,1]=3 38 B18R0.221 C#CCOCCOCCOCCOCCOCCO MCULE-5691056183 [0,1,0,0,0,0|0,0,1]=2 39 B18R0.221 CCCCCCCCCCCCOCCOCCO MCULE-7043512916 [0,1,0,0,0,0|3,0,0]=4 40 B18R0.221 CCCCCCCCNCCOCCOCCOC MCULE-1267713198 [0,1,0,0,0,0|3,0,0]=4 41 B18R0.221 CCCCCCCCOCCOCCOCCOC MCULE-9997098574 [0,1,0,0,0,0|2,0,0]=3 42 B18R0.221 CCCCCCNCCOCCOCCOCCO MCULE-7339968604 [0,1,0,0,0,0|2,0,0]=3 43 B18R0.221 CCCCCCOCCOCCOCCSCCO MCULE-6061144317 [0,1,0,0,0,0|1,1,0]=3 44 B18R0.221 CCCCCCOCCSCCOCCOCCO MCULE-9011007499 [0,1,0,0,0,0|1,1,0]=3 45 B18R0.221 COCCOCCOCCOCCOCCN=N#N MCULE-2627038805 [0,1,0,0,0,0|3,0,0]=4 46 B18R0.221 N#N=NCCOCCOCCOCCOCCCO MCULE-2157733731 [0,1,0,0,0,0|3,0,0]=4 47 B18R0.221 N#N=NCCOCCOCCOCCOCCON MCULE-2469543035 [0,1,0,0,0,0|3,0,0]=4 48 B18R0.221 NCCOCCOCCOCCOCCOCCN MCULE-9395850545 [0,1,0,0,0,0|1,0,0]=2 49 B18R0.221 NCCOCCOCCOCCOCCOCCO MCULE-1348359177 [0,1,0,0,0,0|0,0,0]=1 50 B18R0.221 NCCOCCOCCOCCOCCOCCS MCULE-9531160116 [0,1,0,0,0,0|0,1,0]=2 51 B18R0.221 OCCOCCOCCNCCOCCOCCO MCULE-4184054923 [0,1,0,0,0,0|1,0,0]=2 52 B18R0.221 OCCOCCOCCOCCOCCOCCBr MCULE-7964880311 [0,1,0,0,0,0|0,0,0]=1 53 B18R0.221 OCCOCCOCCOCCOCCOCCI MCULE-8893436084 [0,1,0,0,0,0|0,0,0]=1 54 B18R0.221 OCCOCCOCCOCCOCCOCCO MCULE-1911071258 [0,1,0,0,0,0|0,0,0]=1 55 B18R0.221 OCCOCCOCCOCCOCCOCCS MCULE-6803706141 [0,1,0,0,0,0|0,0,0]=1 56 B18R0.221 SCCOCCOCCOCCOCCOCCS MCULE-6738839967 [0,1,0,0,0,0|0,1,0]=2 57 B18R1.11660 C1CNCCOCCOCCOCCNCCN1 MCULE-5528283570 [0,0,0,1,0,0|3,0,0]=4 58 B18R1.11660 C1COCCNCCOCCOCCOCCN1 MCULE-6863471045 [0,0,0,1,0,0|2,0,0]=3 59 B18R1.11660 C1COCCOCCNCCOCCOCCN1 MCULE-1820307101 [0,0,0,1,0,0|2,0,0]=3 60 B18R1.11660 C1COCCOCCOCCOCCOCCN1 MCULE-9240142720 [0,0,0,1,0,0|1,0,0]=2 61 B18R1.11660 C1COCCOCCOCCOCCOCCO1 MCULE-8785791645 [0,0,0,1,0,0|0,0,0]=1 62 B18R1.11660 C1COCCSCCOCCOCCSCCO1 MCULE-8959180486 [0,0,0,1,0,0|0,2,0]=3 63 B18R1.14770 OCCN1CCOCCOCCOCCOCC1 MCULE-2179239487 [0,0,0,1,0,0|1,0,0]=2 64 B15R0.70 BrCCOCCOCCOCCOCCBr MCULE-8044081824 [2,0,0,0,0,0|2,0,0]=4 65 B15R0.70 C#CCOCCOCCOCCOCCO MCULE-7401146179 [2,0,0,0,0,0|0,0,2]=4 66 B15R0.70 CCCCCCCCCCCCOCCO MCULE-5043607718 [2,0,0,0,0,0|2,0,0]=4 67 B15R0.70 CCCCCCCCCCOCCCCO MCULE-2477857106 [2,0,0,0,0,0|2,0,0]=4 68 B15R0.70 CCCCCCCCCOCCOCCCl MCULE-9418209466 [2,0,0,0,0,0|2,0,0]=4 69 B15R0.70 CCCCCCCCOCCCCCCO MCULE-7610355921 [2,0,0,0,0,0|2,0,0]=4 70 B15R0.70 CCCCCCNCCOCCOCCO MCULE-5752505394 [2,0,0,0,0,0|1,0,0]=3 71 B15R0.70 CCCCCCOCCOCCCCCC MCULE-5385385768 [2,0,0,0,0,0|2,0,0]=4 72 B15R0.70 CCCCCCOCCOCCOCCO MCULE-7355861559 [2,0,0,0,0,0|0,0,0]=2 73 B15R0.70 CCCCCCSCCOCCOCCO MCULE-6270800726 [2,0,0,0,0,0|0,1,0]=3 74 B15R0.70 CCOCCCCCCCCCCOCC MCULE-3819692514 [2,0,0,0,0,0|2,0,0]=4 75 B15R0.70 ClCCOCCOCCOCCOCCCl MCULE-6411530351 [2,0,0,0,0,0|2,0,0]=4 76 B15R0.70 NCCOCCOCCOCCOCCN MCULE-4571490136 [2,0,0,0,0,0|2,0,0]=4 77 B15R0.70 NCCOCCOCCOCCOCCO MCULE-2347098142 [2,0,0,0,0,0|1,0,0]=3 78 B15R0.70 OCCCCOCCCCOCCCCO MCULE-3241468695 [2,0,0,0,0,0|2,0,0]=4 79 B15R0.70 OCCOCCOCCOCCOCCBr MCULE-9343961743 [2,0,0,0,0,0|1,0,0]=3 80 B15R0.70 OCCOCCOCCOCCOCCI MCULE-9211558644 [2,0,0,0,0,0|1,0,0]=3 81 B15R0.70 OCCOCCOCCOCCOCCO MCULE-3214557644 [2,0,0,0,0,0|0,0,0]=2 82 B15R0.70 OCCOCCOCCOCCOCCS MCULE-2892532748 [2,0,0,0,0,0|0,1,0]=3 83 B17R0.43 COCCOCCOCCOCCOCC(=O)O MCULE-5522269590 [1,1,0,0,0,0|0,0,1]=3 84 B17R0.43 O=C(O)CCOCCOCCOCCOCCO MCULE-2096419718 [1,1,0,0,0,0|1,0,1]=4 85 B17R0.195 COC(=O)COCCOCCOCCOCCO MCULE-3874839896 [1,1,0,0,0,0|0,0,1]=3 86 B19R0.149 C#CCOCCOCCOCCOCCOCC(=O)O MCULE-6951618281 [0,2,0,0,0,0|0,0,2]=4 87 B19R0.149 CCCCCCOCCOCCOCCOCC(=O)O MCULE-2082970492 [0,2,0,0,0,0|1,0,1]=4 88 B19R0.149 NCCOCCOCCOCCOCCOCC(=O)O MCULE-7449264026 [0,2,0,0,0,0|0,0,1]=3 89 B19R0.149 O=C(O)COCCOCCOCCOCCOCCO MCULE-9481095338 [0,2,0,0,0,0|0,0,1]=3 90 B19R0.36 C#CCOCCOCCOCCOCCOCCOC MCULE-8965640340 [0,2,0,0,0,0|0,0,1]=3 91 B19R0.36 CCCCCCCCCCOCCOCCOCCO MCULE-2698276795 [0,2,0,0,0,0|2,0,0]=4 92 B19R0.36 CCCCOCCOCCOCCOCCOCCO MCULE-5304860843 [0,2,0,0,0,0|0,0,0]=2 93 B19R0.36 COCCOCCOCCOCCOCCOCCBr MCULE-8149039635 [0,2,0,0,0,0|0,0,0]=2 94 B19R0.36 COCCOCCOCCOCCOCCOCCN MCULE-8945864632 [0,2,0,0,0,0|0,0,0]=2 95 B19R0.36 COCCOCCOCCOCCOCCOCCO MCULE-8488916594 [0,2,0,0,0,0|0,0,0]=2 96 B19R0.36 COCCOCCOCCOCCOCCOCCS MCULE-9330780210 [0,2,0,0,0,0|0,0,0]=2 97 B19R0.36 COCCOCCOCCSCCOCCOCCO MCULE-2021582171 [0,2,0,0,0,0|0,1,0]=3 98 B19R0.36 NCCOCCOCCOCCOCCCCCCCl MCULE-3361538879 [0,2,0,0,0,0|2,0,0]=4 99 B19R0.36 OCCOCCOCCOCCOCCCCCCCl MCULE-4458575377 [0,2,0,0,0,0|1,0,0]=3 100 B19R0.18065 CCCCCCN(C)CCOCCOCCOCCO MCULE-6740417719 [0,2,0,0,0,0|2,0,0]=4 101 B19R0.26208 CN(CCOCCOCCO)CCOCCOCCO MCULE-1820879588 [0,2,0,0,0,0|1,0,0]=3 102 B17R1.1450 OCCOCCOCCOC1CCCCC1Cl MCULE-5143512975 [1,0,0,1,0,0|2,0,0]=4 103 B17R1.27002 NCC1COCCOCCOCCOCCO1 MCULE-3996969250 [1,0,0,1,0,0|1,0,0]=3 104 B17R1.27002 OCC1COCCOCCOCCOCCO1 MCULE-5187437242 [1,0,0,1,0,0|0,0,0]=2 105 B17R1.29093 CCCCCCOCCOCCOCC1CO1 MCULE-8907311071 [1,0,0,1,0,0|2,0,0]=4 106 B19R1.20739 CN1CCOCCOCCOCCOCCOCC1 MCULE-4077059919 [0,1,0,1,0,0|1,0,0]=3 107 B19R1.20739 CN1CCOCCOCCOCCOCCOCC1 MCULE-6946100331 [0,1,0,1,0,0|1,0,0]=3 108 B19R1.157613 C[Si]1(OCCOCCOCCOCCOCCO1)C MCULE-6233925307 [0,1,0,1,0,0|0,1,0]=3 109 B19R1.275 BrCCOCCOCCOCCOC1CCCCO1 MCULE-2189657589 [0,1,0,1,0,0|1,0,0]=3 110 B19R1.275 OCCOCCOCCOCCOC1CCCCO1 MCULE-5617325834 [0,1,0,1,0,0|1,0,0]=3