0 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 MCULE-1430680475 [0,0,0,0,0,0|1,0,2]=3 1 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 MCULE-8227436556 [0,0,0,0,0,0|1,0,2]=3 2 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 MCULE-2237516421 [0,0,0,0,0,0|0,0,0]=0 3 B18R1.1843 CC1CCCCCCCCCCCCCOC1=O MCULE-8629194941 [0,1,0,0,0,0|0,0,0]=1 4 B18R1.1843 O=C1CCCCCCCCCCCCCCC1O MCULE-2328305728 [0,1,0,0,0,0|1,0,0]=2 5 B18R1.101472 O=C1CCCCCCCCCCC(=O)OCCC1 MCULE-1923893741 [0,1,0,0,0,0|0,0,1]=2 6 B18R1.101472 O=C1CCCCCCCCCCC(=O)OCCO1 MCULE-8287547839 [0,1,0,0,0,0|1,0,1]=3 7 B18R1.101472 O=C1CCCCCCCCCCC(CCCO1)O MCULE-8958889325 [0,1,0,0,0,0|0,0,0]=1 8 B18R1.156483 O=C1CCCCCCCCC(=O)OCCCCO1 MCULE-8772814596 [0,1,0,0,0,0|1,0,1]=3 9 B16R0.61 CCCCCCCCCCCCC(=O)CCC MCULE-4895448580 [0,0,1,0,0,0|1,0,0]=2 10 B16R0.61 CCCCCCCCCCCCC(=O)OCC MCULE-8945154638 [0,0,1,0,0,0|0,0,0]=1 11 B16R0.61 CCCCCCCCCCCCC(=O)OCCl MCULE-1444257922 [0,0,1,0,0,0|1,0,0]=2 12 B16R0.61 CCCCCCCCCCCCC(O)CCC MCULE-2703285953 [0,0,1,0,0,0|1,0,2]=4 13 B16R0.61 CCOC(=O)CCCCCCCCCCCBr MCULE-8542798971 [0,0,1,0,0,0|1,0,0]=2 14 B16R0.61 CCOC(=O)CCCCCCCCCCCN MCULE-2649272831 [0,0,1,0,0,0|1,0,0]=2 15 B16R0.61 CCOC(=O)CCCCCCCCCCCN MCULE-6362464632 [0,0,1,0,0,0|1,0,0]=2 16 B16R0.61 CCSC(=O)CCCCCCCCCCCO MCULE-6080213440 [0,0,1,0,0,0|1,1,0]=3 17 B16R0.68 C#CCCCCCCCCC(=O)NCCCC MCULE-8918849625 [0,0,1,0,0,0|1,0,2]=4 18 B16R0.68 C=CCCCCCCCCC(=O)OCCCC MCULE-9927769469 [0,0,1,0,0,0|0,0,2]=3 19 B16R0.68 CCCCCCCCCCC(=O)CCCCC MCULE-2586042013 [0,0,1,0,0,0|1,0,0]=2 20 B16R0.68 CCCCCCCCSCC(=O)NCCCC MCULE-8746851490 [0,0,1,0,0,0|2,0,0]=3 21 B16R0.136 CC#CCCCCCC(=O)NCCCCCC MCULE-9622578088 [0,0,1,0,0,0|1,0,2]=4 22 B16R0.136 CCCCCCCCC(O)CCCCCCC MCULE-4042759886 [0,0,1,0,0,0|1,0,2]=4 23 B16R0.136 CCCCCCCOC(=O)CCCCCCBr MCULE-1792763204 [0,0,1,0,0,0|1,0,0]=2 24 B16R0.221 C=CC(=O)NCCCCCCCCCCCC MCULE-9950730044 [0,0,1,0,0,0|1,0,2]=4 25 B16R0.221 C=CC(=O)OCCCCCCCCCCCC MCULE-2937609730 [0,0,1,0,0,0|0,0,2]=3 26 B16R0.221 CCCCC=CCCCCCCCC(=O)OC MCULE-6534469638 [0,0,1,0,0,0|0,0,2]=3 27 B16R0.221 CCCCCCCCCCCCCC(=O)CC MCULE-9117802063 [0,0,1,0,0,0|1,0,0]=2 28 B16R0.221 CCCCCCCCCCCCCC(=O)NN MCULE-3612607907 [0,0,1,0,0,0|2,0,0]=3 29 B16R0.221 CCCCCCCCCCCCCC(=O)OC MCULE-3729213959 [0,0,1,0,0,0|0,0,0]=1 30 B16R0.221 CCCCCCCCCCCCCC(O)CC MCULE-3941630395 [0,0,1,0,0,0|1,0,2]=4 31 B16R0.221 CCCCCCCCCCCCNC(=O)CC MCULE-4783922420 [0,0,1,0,0,0|1,0,0]=2 32 B16R0.221 CCCCCCCCCCCCNC(=O)CCl MCULE-4529382467 [0,0,1,0,0,0|2,0,0]=3 33 B16R0.221 CCCCCCCCCCCCOC(=O)CBr MCULE-2483808028 [0,0,1,0,0,0|1,0,0]=2 34 B16R0.221 CCCCCCCCCCCCOC(=O)CC MCULE-8247406436 [0,0,1,0,0,0|0,0,0]=1 35 B16R0.221 CCCCCCCCCCCCOC(=O)CCl MCULE-6379931852 [0,0,1,0,0,0|1,0,0]=2 36 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-5189541815 [0,0,1,0,0,0|1,0,0]=2 37 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-8545291130 [0,0,1,0,0,0|1,0,0]=2 38 B16R0.221 CCCCCCCCCCCCOC(=O)CS MCULE-8899893008 [0,0,1,0,0,0|1,0,0]=2 39 B16R0.221 CCCCCCCCCCCCS/C(=N/C)/N MCULE-2953617930 [0,0,1,0,0,0|2,1,0]=4 40 B16R0.221 CCCCCCCCCCCCS/C(=N/C)/N MCULE-4652535696 [0,0,1,0,0,0|2,1,0]=4 41 B16R0.221 COC(=O)CCCCCCCCCCCCBr MCULE-1167427070 [0,0,1,0,0,0|1,0,0]=2 42 B16R0.221 COC(=O)CCCCCCCCCCN=N#N MCULE-2789691091 [0,0,1,0,0,0|3,0,0]=4 43 B16R0.274 C=CCCCCCCCCCCCCC(=O)O MCULE-1403801057 [0,0,1,0,0,0|0,0,2]=3 44 B16R0.274 CCCCC=CCCCCCCCCC(=O)O MCULE-4211765208 [0,0,1,0,0,0|0,0,2]=3 45 B16R0.274 CCCCCCCCC=CCCCOC(=O)C MCULE-1762005887 [0,0,1,0,0,0|0,0,2]=3 46 B16R0.274 CCCCCCCCCCCCCCB(O)O MCULE-3614309342 [0,0,1,0,0,0|1,0,1]=3 47 B16R0.274 CCCCCCCCCCCCCCC(=O)C MCULE-2580004145 [0,0,1,0,0,0|1,0,0]=2 48 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl MCULE-8745106680 [0,0,1,0,0,0|1,0,0]=2 49 B16R0.274 CCCCCCCCCCCCCCC(=O)N MCULE-6897989236 [0,0,1,0,0,0|1,0,0]=2 50 B16R0.274 CCCCCCCCCCCCCCC(=O)O MCULE-3630464562 [0,0,1,0,0,0|0,0,0]=1 51 B16R0.274 CCCCCCCCCCCCCCC(C)O MCULE-8477286739 [0,0,1,0,0,0|1,0,1]=3 52 B16R0.274 CCCCCCCCCCCCCCN(=O)=O MCULE-8122338188 [0,0,1,0,0,0|1,0,1]=3 53 B16R0.274 CCCCCCCCCCCCCCN(C)C MCULE-1169700979 [0,0,1,0,0,0|3,0,0]=4 54 B16R0.274 CCCCCCCCCCCCCOB(O)O MCULE-6853722078 [0,0,1,0,0,0|2,0,1]=4 55 B16R0.274 CCCCCCCCCCCCCOC(=O)C MCULE-3462383419 [0,0,1,0,0,0|0,0,0]=1 56 B16R0.274 CCCCCCCCCCCCNCC(=O)O MCULE-7069020402 [0,0,1,0,0,0|1,0,0]=2 57 B16R0.274 CCCCCCCCCCCCOCC(=O)O MCULE-5186628423 [0,0,1,0,0,0|1,0,0]=2 58 B16R0.274 CCCCCCCCCCCCSCC(=O)O MCULE-8937853494 [0,0,1,0,0,0|1,0,0]=2 59 B16R0.274 CCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2182837845 [0,0,1,0,0,0|1,0,0]=2 60 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-2947320698 [0,0,1,0,0,0|1,0,0]=2 61 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-5076653771 [0,0,1,0,0,0|1,0,0]=2 62 B16R0.274 N#N=NCCCCCCCCCCCC(=O)O MCULE-2436331538 [0,0,1,0,0,0|3,0,0]=4 63 B16R0.274 NCCCCCCCCCCCCCC(=O)O MCULE-6805237317 [0,0,1,0,0,0|1,0,0]=2 64 B16R0.274 O=C(O)CCCCCCCCCCCCCBr MCULE-6321854023 [0,0,1,0,0,0|1,0,0]=2 65 B16R0.274 O=C(O)CCCCCCCCCCCCCO MCULE-2388869238 [0,0,1,0,0,0|1,0,0]=2 66 B16R0.274 O=C(O)CCCCCCCCCCCCCS MCULE-3340350604 [0,0,1,0,0,0|1,0,0]=2 67 B16R0.303 BrCCCCCCCCCCCCCCCBr MCULE-7690331860 [0,0,1,0,0,0|2,0,1]=4 68 B16R0.303 C#CCCCCCCCCCCCCCCC MCULE-1536008008 [0,0,1,0,0,0|2,0,1]=4 69 B16R0.303 C=CCCCCCCCCCCCCCCBr MCULE-4098921493 [0,0,1,0,0,0|2,0,0]=3 70 B16R0.303 C=CCCCCCCCCCCCCCCC MCULE-3016072683 [0,0,1,0,0,0|2,0,0]=3 71 B16R0.303 C=COOOCCCCCCCCCCCC MCULE-7638038244 [0,0,1,0,0,0|3,0,0]=4 72 B16R0.303 C=COOOCCCCCCCCCCCC MCULE-7765503560 [0,0,1,0,0,0|3,0,0]=4 73 B16R0.303 CCCC/C=C\CCCCCCCCCC=O MCULE-7543337765 [0,0,1,0,0,0|1,0,2]=4 74 B16R0.303 CCCCC/C=C/CCCCCCCCC=O MCULE-7710373986 [0,0,1,0,0,0|1,0,2]=4 75 B16R0.303 CCCCC=CCCCCCCCCCC=O MCULE-5668746450 [0,0,1,0,0,0|1,0,2]=4 76 B16R0.303 CCCCCC=CCCCCCCCCC=O MCULE-6918532041 [0,0,1,0,0,0|1,0,2]=4 77 B16R0.303 CCCCCCC=CCCCCCCCC=O MCULE-4206989660 [0,0,1,0,0,0|1,0,2]=4 78 B16R0.303 CCCCCCCCCCCCCC=CC=O MCULE-7601303988 [0,0,1,0,0,0|1,0,1]=3 79 B16R0.303 CCCCCCCCCCCCCCCC#N MCULE-6973931298 [0,0,1,0,0,0|2,0,1]=4 80 B16R0.303 CCCCCCCCCCCCCCCC=O MCULE-1337115097 [0,0,1,0,0,0|1,0,0]=2 81 B16R0.303 CCCCCCCCCCCCCCCCBr MCULE-7970004064 [0,0,1,0,0,0|2,0,1]=4 82 B16R0.303 CCCCCCCCCCCCCCCCC MCULE-3718944215 [0,0,1,0,0,0|2,0,1]=4 83 B16R0.303 CCCCCCCCCCCCCCCCCl MCULE-6806630762 [0,0,1,0,0,0|2,0,1]=4 84 B16R0.303 CCCCCCCCCCCCCCCCI MCULE-7905733232 [0,0,1,0,0,0|2,0,1]=4 85 B16R0.303 CCCCCCCCCCCCCCCCN MCULE-2718073245 [0,0,1,0,0,0|2,0,1]=4 86 B16R0.303 CCCCCCCCCCCCCCCCO MCULE-9457426256 [0,0,1,0,0,0|1,0,1]=3 87 B16R0.303 CCCCCCCCCCCCCCCCS MCULE-4288584728 [0,0,1,0,0,0|1,1,1]=4 88 B16R0.303 CCCCCCCCCCCCCCN=C=O MCULE-4145501681 [0,0,1,0,0,0|1,0,1]=3 89 B16R0.303 CCCCCCCCCCCCCCN=C=S MCULE-4782187367 [0,0,1,0,0,0|1,1,1]=4 90 B16R0.303 CCCCCCCCCCCCSCCCO MCULE-5140051072 [0,0,1,0,0,0|2,0,1]=4 91 B16R0.303 CCCCCCCCSCCCCCCCO MCULE-8968963881 [0,0,1,0,0,0|2,0,1]=4 92 B16R0.303 OCCCCCCCCCCCCCCCBr MCULE-4806172404 [0,0,1,0,0,0|1,0,1]=3 93 B16R0.303 OCCCCCCCCCCCCCCCO MCULE-2337452795 [0,0,1,0,0,0|0,0,2]=3 94 B16R0.661 CCCCCCCCCCCC(=O)NCCO MCULE-3793069187 [0,0,1,0,0,0|2,0,0]=3 95 B16R0.661 CCCCCCCCCCCC(=O)OCCC MCULE-9916183085 [0,0,1,0,0,0|0,0,0]=1 96 B16R0.661 CCCCCCCCCCCC(=O)OCCCl MCULE-2443572008 [0,0,1,0,0,0|1,0,0]=2 97 B16R0.661 CCCCCCCCCCCC(O)CCCC MCULE-2652447421 [0,0,1,0,0,0|1,0,2]=4 98 B16R0.6603 CCCCCCCCCC(=O)CCCCCC MCULE-1196704551 [0,0,1,0,0,0|1,0,0]=2 99 B16R0.6603 CCCCCCCCCC(=O)OCCCCC MCULE-1632696011 [0,0,1,0,0,0|0,0,0]=1 100 B16R1.8816 O=C1CCCCCCCCCCCCCC1 MCULE-7713299679 [0,0,0,0,1,0|0,0,0]=1 101 B16R1.8816 O=C1CCCCCCCCCCOCCO1 MCULE-5709281545 [0,0,0,0,1,0|1,0,0]=2 102 B16R1.8816 OC1CCCCCCCCCCCCCC1 MCULE-1220726144 [0,0,0,0,1,0|0,0,2]=3 103 B18R1.13791 O=C1CCCCC=CCCCCCCCCCO1 MCULE-9481617554 [0,0,0,0,0,1|0,0,1]=2 104 B18R1.13791 O=C1CCCCCCCC=CCCCCCCO1 MCULE-4229154614 [0,0,0,0,0,1|0,0,1]=2 105 B18R1.13791 O=C1CCCCCCCCCCCCCCCO1 MCULE-4312908702 [0,0,0,0,0,1|0,0,0]=1 106 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 MCULE-7856753337 [0,0,0,0,0,1|0,0,0]=1 107 B18R1.13791 O=C1CCCCCCCCCOCCCCCO1 MCULE-8174650004 [0,0,0,0,0,1|0,0,0]=1 108 B15R0.70 BrCCCCCCCCCCCCCCBr MCULE-6889376040 [1,0,1,0,0,0|2,0,0]=4 109 B15R0.70 C#CCCCCCCCCCCCCCC MCULE-8004044828 [1,0,1,0,0,0|1,0,1]=4 110 B15R0.70 C#CCCCCCCCCCCCCCO MCULE-6688649818 [1,0,1,0,0,0|0,0,2]=4 111 B15R0.70 C=CCCCCCCCCCCCCCBr MCULE-2396015907 [1,0,1,0,0,0|1,0,1]=4 112 B15R0.70 C=CCCCCCCCCCCCCCC MCULE-4969847612 [1,0,1,0,0,0|1,0,0]=3 113 B15R0.70 C=CCCCCCCCCCCCCCO MCULE-1065498044 [1,0,1,0,0,0|0,0,1]=3 114 B15R0.70 CCCCCCCC#CCCCCCCC MCULE-1864077511 [1,0,1,0,0,0|1,0,1]=4 115 B15R0.70 CCCCCCCCCCCCCCC#N MCULE-8488724666 [1,0,1,0,0,0|1,0,1]=4 116 B15R0.70 CCCCCCCCCCCCCCC=O MCULE-3290991576 [1,0,1,0,0,0|0,0,0]=2 117 B15R0.70 CCCCCCCCCCCCCCCBr MCULE-8425641825 [1,0,1,0,0,0|1,0,1]=4 118 B15R0.70 CCCCCCCCCCCCCCCC MCULE-6113174809 [1,0,1,0,0,0|1,0,1]=4 119 B15R0.70 CCCCCCCCCCCCCCCI MCULE-3840639439 [1,0,1,0,0,0|1,0,1]=4 120 B15R0.70 CCCCCCCCCCCCCCCN MCULE-1378870281 [1,0,1,0,0,0|1,0,1]=4 121 B15R0.70 CCCCCCCCCCCCCCCO MCULE-4053675052 [1,0,1,0,0,0|0,0,1]=3 122 B15R0.70 CCCCCCCCCCCCCCCS MCULE-7681133186 [1,0,1,0,0,0|0,1,1]=4 123 B15R0.70 CCCCCCCCCCCCCNCC MCULE-7261878767 [1,0,1,0,0,0|1,0,1]=4 124 B15R0.70 CCCCCCCCCCCCNCCC MCULE-2378403543 [1,0,1,0,0,0|1,0,1]=4 125 B15R0.70 CCCCCCCCCCCCNCCO MCULE-1636811846 [1,0,1,0,0,0|1,0,1]=4 126 B15R0.70 CCCCCCCCCCCCOCCCl MCULE-9177808600 [1,0,1,0,0,0|1,0,1]=4 127 B15R0.70 CCCCCCCCCCCCOCCO MCULE-5043607718 [1,0,1,0,0,0|1,0,1]=4 128 B15R0.70 CCCCCCCCCCCCSCCO MCULE-7138907549 [1,0,1,0,0,0|1,0,1]=4 129 B15R0.70 CCCCCCCCCCCNCCCC MCULE-4441534633 [1,0,1,0,0,0|1,0,1]=4 130 B15R0.70 CCCCCCCCCCCNCCCO MCULE-1917257904 [1,0,1,0,0,0|1,0,1]=4 131 B15R0.70 CCCCCCCCCCOCCCCO MCULE-2477857106 [1,0,1,0,0,0|1,0,1]=4 132 B15R0.70 CCCCCCCCNCCCCCCC MCULE-1117954596 [1,0,1,0,0,0|1,0,1]=4 133 B15R0.70 CCCCCCCCOCCCCCCO MCULE-7610355921 [1,0,1,0,0,0|1,0,1]=4 134 B15R0.70 CCCCCCCSSCCCCCCC MCULE-9553613631 [1,0,1,0,0,0|1,1,0]=4 135 B15R0.70 CCCCCCOCCOCCCCCC MCULE-5385385768 [1,0,1,0,0,0|1,0,1]=4 136 B15R0.70 CCOCCCCCCCCCCOCC MCULE-3819692514 [1,0,1,0,0,0|1,0,1]=4 137 B15R0.70 NCCCCCCCCCCCCCCN MCULE-7594246043 [1,0,1,0,0,0|2,0,0]=4 138 B15R0.70 NCCCCCCCCCCCCCCO MCULE-2816059720 [1,0,1,0,0,0|1,0,0]=3 139 B15R0.70 OCCCCCCCCCCCCCCBr MCULE-7763469638 [1,0,1,0,0,0|1,0,0]=3 140 B15R0.70 OCCCCCCCCCCCCCCO MCULE-9200527284 [1,0,1,0,0,0|0,0,1]=3 141 B15R0.70 [NH2+](CCC)CCCCCCCCCCCC MCULE-4353484799 [1,0,1,0,0,0|1,0,1]=4 142 B15R0.70 [NH2+](CCCC)CCCCCCCCCCC MCULE-8141295559 [1,0,1,0,0,0|1,0,1]=4 143 B15R0.81 CCCCCCCCCCCCC(=O)OC MCULE-6268749120 [1,0,1,0,0,0|0,0,0]=2 144 B15R0.81 COC(=O)CCCCCCCCCCC#N MCULE-3424341580 [1,0,1,0,0,0|1,0,1]=4 145 B15R0.81 COC(=O)CCCCCCCCCCCBr MCULE-7032517210 [1,0,1,0,0,0|1,0,0]=3 146 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-2097053515 [1,0,1,0,0,0|1,0,0]=3 147 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-6460421950 [1,0,1,0,0,0|1,0,0]=3 148 B15R0.366 C=CCCCCCCCCCC(=O)OCC MCULE-7999165590 [1,0,1,0,0,0|0,0,2]=4 149 B15R0.366 C=COC(=O)CCCCCCCCCCC MCULE-4112696875 [1,0,1,0,0,0|0,0,2]=4 150 B15R0.366 CCCCCCCCC/C=C/C(=O)OCC MCULE-9164260564 [1,0,1,0,0,0|0,0,2]=4 151 B15R0.366 CCCCCCCCCC=CC(=O)OCC MCULE-3827280556 [1,0,1,0,0,0|0,0,2]=4 152 B15R0.366 CCCCCCCCCCCC(=O)NCC MCULE-4785540132 [1,0,1,0,0,0|1,0,0]=3 153 B15R0.366 CCCCCCCCCCCC(=O)OCC MCULE-6150658986 [1,0,1,0,0,0|0,0,0]=2 154 B15R0.366 CCCCCCCCCCCC(=O)OCCl MCULE-7622384571 [1,0,1,0,0,0|1,0,0]=3 155 B15R0.366 CCCCCCCCCCOC(=O)CC#N MCULE-3934095862 [1,0,1,0,0,0|1,0,1]=4 156 B15R0.366 CCCCCCCCNCCC(=O)OCC MCULE-7089762363 [1,0,1,0,0,0|1,0,0]=3 157 B15R0.366 CCCCCCCCSCCC(=O)OCC MCULE-2446708021 [1,0,1,0,0,0|1,0,0]=3 158 B15R0.366 CCOC(=O)CCCCCCCCCCBr MCULE-2219675372 [1,0,1,0,0,0|1,0,0]=3 159 B15R0.322 CCCCCCCCCC(=O)OCCCC MCULE-6539746773 [1,0,1,0,0,0|0,0,0]=2 160 B15R0.2002 CCCCCCCCCCC(C)CCCC MCULE-1362110076 [1,0,1,0,0,0|1,0,1]=4 161 B15R0.2002 CCCCCCCCCNC(=O)CCCCl MCULE-6850862251 [1,0,1,0,0,0|2,0,0]=4 162 B15R0.133 CCCCCCCC(=O)CCCCCCC MCULE-4046249237 [1,0,1,0,0,0|0,0,0]=2 163 B15R0.133 CCCCCCCC(=O)OCCCCCC MCULE-7838515084 [1,0,1,0,0,0|0,0,0]=2 164 B15R0.133 CCCCCCCC(N)CCCCCCC MCULE-9773555979 [1,0,1,0,0,0|1,0,1]=4 165 B15R0.133 CCCCCCCC(O)CCCCCCC MCULE-3401369248 [1,0,1,0,0,0|0,0,2]=4 166 B15R0.133 CCCCCCCN(C)CCCCCCC MCULE-9965128065 [1,0,1,0,0,0|2,0,0]=4 167 B15R0.133 CCCCCCNC(=O)NCCCCCC MCULE-2893661273 [1,0,1,0,0,0|2,0,0]=4 168 B15R0.133 CCCCCCOC(=O)OCCCCCC MCULE-1059152919 [1,0,1,0,0,0|1,0,0]=3 169 B15R0.149 CCCCCCCCC(=O)CCCCCC MCULE-4428228502 [1,0,1,0,0,0|0,0,0]=2 170 B15R0.149 CCCCCCCCC(O)CCCCCC MCULE-6289717803 [1,0,1,0,0,0|0,0,2]=4 171 B15R0.149 CCCCCCCOC(=O)CCCCCBr MCULE-5648349942 [1,0,1,0,0,0|1,0,0]=3 172 B15R0.149 CCCCCCCOC(=O)CCCCCC MCULE-6269466037 [1,0,1,0,0,0|0,0,0]=2 173 B15R0.164 C#CCCCCCCCCCCCC(=O)O MCULE-5832522123 [1,0,1,0,0,0|0,0,2]=4 174 B15R0.164 C=C(C)CCCCCCCCCCCCC MCULE-7613302437 [1,0,1,0,0,0|1,0,0]=3 175 B15R0.164 CC(=O)SCCCCCCCCCCCBr MCULE-7548194965 [1,0,1,0,0,0|1,1,0]=4 176 B15R0.164 CC/C=C\CCCCCCCCOC(=O)C MCULE-6483284858 [1,0,1,0,0,0|0,0,2]=4 177 B15R0.164 CCC/C=C/CCCCCCCOC(=O)C MCULE-2744234945 [1,0,1,0,0,0|0,0,2]=4 178 B15R0.164 CCC/C=C\CCCCCCCOC(=O)C MCULE-7735460500 [1,0,1,0,0,0|0,0,2]=4 179 B15R0.164 CCC=CCCCCCCCCOC(=O)C MCULE-2798849083 [1,0,1,0,0,0|0,0,2]=4 180 B15R0.164 CCCC/C=C/CCCCCCCC(=O)O MCULE-6705749045 [1,0,1,0,0,0|0,0,2]=4 181 B15R0.164 CCCC/C=C/CCCCCCOC(=O)C MCULE-2152851271 [1,0,1,0,0,0|0,0,2]=4 182 B15R0.164 CCCC/C=C\CCCCCCCC(=O)O MCULE-5504515924 [1,0,1,0,0,0|0,0,2]=4 183 B15R0.164 CCCC/C=C\CCCCCCOC(=O)C MCULE-3266505572 [1,0,1,0,0,0|0,0,2]=4 184 B15R0.164 CCCC=CCCCCCCCOC(=O)C MCULE-3017538960 [1,0,1,0,0,0|0,0,2]=4 185 B15R0.164 CCCCC=CCCCCCCCC(=O)O MCULE-5940555705 [1,0,1,0,0,0|0,0,2]=4 186 B15R0.164 CCCCC=CCCCCCCOC(=O)C MCULE-4045769000 [1,0,1,0,0,0|0,0,2]=4 187 B15R0.164 CCCCCCCCC#CCCCC(=O)O MCULE-7080925639 [1,0,1,0,0,0|0,0,2]=4 188 B15R0.164 CCCCCCCCCCCCCC(=O)C MCULE-8350749092 [1,0,1,0,0,0|0,0,0]=2 189 B15R0.164 CCCCCCCCCCCCCC(=O)Cl MCULE-2497488642 [1,0,1,0,0,0|1,0,0]=3 190 B15R0.164 CCCCCCCCCCCCCC(=O)N MCULE-5753717982 [1,0,1,0,0,0|1,0,0]=3 191 B15R0.164 CCCCCCCCCCCCCC(=O)O MCULE-9671122893 [1,0,1,0,0,0|0,0,0]=2 192 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-6783279487 [1,0,1,0,0,0|0,0,1]=3 193 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-7103790332 [1,0,1,0,0,0|0,0,1]=3 194 B15R0.164 CCCCCCCCCCCCCC(C)C MCULE-2845003178 [1,0,1,0,0,0|1,0,1]=4 195 B15R0.164 CCCCCCCCCCCCNC(=O)C MCULE-9415436236 [1,0,1,0,0,0|1,0,0]=3 196 B15R0.164 CCCCCCCCCCCCNC(=O)N MCULE-2832774647 [1,0,1,0,0,0|2,0,0]=4 197 B15R0.164 CCCCCCCCCCCCOC(=O)C MCULE-2488215593 [1,0,1,0,0,0|0,0,0]=2 198 B15R0.164 CCCCCCCCCCCCOC(=O)Cl MCULE-1341492119 [1,0,1,0,0,0|1,0,0]=3 199 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-2395943543 [1,0,1,0,0,0|1,1,0]=4 200 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-5871678815 [1,0,1,0,0,0|1,1,0]=4 201 B15R0.164 CCCCCCCCCCCOCC(=O)O MCULE-2338877776 [1,0,1,0,0,0|1,0,0]=3 202 B15R0.164 CCCCCCCCCCCSCC(=O)O MCULE-3362261921 [1,0,1,0,0,0|1,0,0]=3 203 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-4890771155 [1,0,1,0,0,0|1,0,0]=3 204 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-9733002368 [1,0,1,0,0,0|1,0,0]=3 205 B15R0.164 CCCCCCCCCCOCCC(=O)O MCULE-9683464566 [1,0,1,0,0,0|1,0,0]=3 206 B15R0.164 CCCCCCCCCCSCCC(=O)O MCULE-4853340553 [1,0,1,0,0,0|1,0,0]=3 207 B15R0.164 CCCCCCCCSCCCCC(=O)O MCULE-1196712745 [1,0,1,0,0,0|1,0,0]=3 208 B15R0.164 CCCCCCCSCCCCCC(=O)O MCULE-9410938289 [1,0,1,0,0,0|1,0,0]=3 209 B15R0.164 CCCOCCCCCCCCCC(=O)O MCULE-6540084862 [1,0,1,0,0,0|1,0,0]=3 210 B15R0.164 CNCCCCCCCCCCCC(=O)O MCULE-3869239649 [1,0,1,0,0,0|1,0,0]=3 211 B15R0.164 O=C(O)CCCCCCCCCCCCBr MCULE-2321032418 [1,0,1,0,0,0|1,0,0]=3 212 B15R0.164 O=C(O)CCCCCCCCCCCCO MCULE-3086618486 [1,0,1,0,0,0|1,0,0]=3 213 B17R0.116 CCCCCCCCCCCOC(=O)CC(=O)C MCULE-7110064872 [0,1,1,0,0,0|0,0,1]=3 214 B17R0.196 CCCCCCCCCCCCC(=O)NCCN MCULE-2582184479 [0,1,1,0,0,0|1,0,0]=3 215 B17R0.196 CCCCCCCCCCCCS(=O)CCCC MCULE-8574032886 [0,1,1,0,0,0|2,0,0]=4 216 B17R0.231 CCCCCCCCCCC(=O)CC(=O)OCC MCULE-4787178255 [0,1,1,0,0,0|0,0,1]=3 217 B17R0.250 C=COC(=O)CCCCCCCCCCCCC MCULE-1838888228 [0,1,1,0,0,0|0,0,2]=4 218 B17R0.250 CCCCCCCCCCCCCC(=O)CCC MCULE-6440839574 [0,1,1,0,0,0|1,0,0]=3 219 B17R0.250 CCCCCCCCCCCCCC(=O)OCC MCULE-3516792445 [0,1,1,0,0,0|0,0,0]=2 220 B17R0.250 CCCCCCCCCCCCCC(=O)OCCl MCULE-7381476592 [0,1,1,0,0,0|1,0,0]=3 221 B17R0.250 CCCCCCCCCCCCNC(=O)CCC MCULE-6235043360 [0,1,1,0,0,0|1,0,0]=3 222 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)O MCULE-9380859811 [0,1,1,0,0,0|1,0,1]=4 223 B17R0.285 CCOC(=O)CCCCCCCCC(=O)OCC MCULE-8567024219 [0,1,1,0,0,0|1,0,1]=4 224 B17R0.383 CCCCCC(=O)CCCCCCC(=O)OCC MCULE-8741818554 [0,1,1,0,0,0|0,0,1]=3 225 B17R0.3110 CCCCCCCCCCCC(=O)CCCCC MCULE-9985880273 [0,1,1,0,0,0|1,0,0]=3 226 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC MCULE-4462350535 [0,1,1,0,0,0|0,0,0]=2 227 B17R0.3196 CCCCOC(=O)CCCCC(=O)OCCCC MCULE-3976335995 [0,1,1,0,0,0|1,0,1]=4 228 B17R0.12412 CCCCCCCCCCC(=O)CCCCCC MCULE-4186355761 [0,1,1,0,0,0|1,0,0]=3 229 B17R0.12412 CCCCCCCCCOC(=O)CCCCCBr MCULE-5838423165 [0,1,1,0,0,0|0,0,0]=2 230 B17R0.12415 CCCCCCCCCCC(=O)OCC(O)CO MCULE-3422039123 [0,1,1,0,0,0|1,0,0]=3 231 B17R0.12415 CCCCCCCCCCC(=O)OCC(O)CO MCULE-9019046315 [0,1,1,0,0,0|1,0,0]=3 232 B17R0.104 CCCCCCCCC(=O)CCCCCCCC MCULE-9065183097 [0,1,1,0,0,0|1,0,0]=3 233 B17R0.104 CCCCCCCCS(=O)CCCCCCCC MCULE-6537929588 [0,1,1,0,0,0|2,0,0]=4 234 B17R0.104 CCCCCCCCS(=O)CCCCCCCO MCULE-6854120083 [0,1,1,0,0,0|2,0,0]=4 235 B17R0.104 CCCCCCCOC(=O)CCCCCCCBr MCULE-8313275319 [0,1,1,0,0,0|0,0,0]=2 236 B17R0.8809 CCCCCCCCCC(=O)CCCCCCC MCULE-6175563630 [0,1,1,0,0,0|1,0,0]=3 237 B17R0.8809 CCCCCCCCCC(=O)OCCCCCC MCULE-9649760741 [0,1,1,0,0,0|0,0,0]=2 238 B17R0.8809 CCCCCCCCCC(=O)OCCOCCCl MCULE-4089507459 [0,1,1,0,0,0|2,0,0]=4 239 B17R0.8809 CCCCCCCCOC(=O)CCCCCCC MCULE-4515016182 [0,1,1,0,0,0|0,0,0]=2 240 B17R0.8809 CCCCCCCSCC(=O)OCCOCCCl MCULE-9006455736 [0,1,1,0,0,0|2,0,0]=4 241 B17R0.195 CCCCC=CCCCCCCCCC(=O)OC MCULE-1513743756 [0,1,1,0,0,0|0,0,1]=3 242 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr MCULE-8800475521 [0,1,1,0,0,0|2,0,0]=4 243 B17R0.195 CCCCCCCCCCCCCCC(=O)OC MCULE-6875676125 [0,1,1,0,0,0|0,0,0]=2 244 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC MCULE-5612273411 [0,1,1,0,0,0|1,0,1]=4 245 B17R0.11645 CCC(C)CCCCCCCCCCC(=O)OC MCULE-3104048083 [0,1,1,0,0,0|0,0,0]=2 246 B17R0.11645 COC(=O)CCCCCCCCCCC(=O)OC MCULE-2179521248 [0,1,1,0,0,0|1,0,1]=4 247 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC MCULE-5072075224 [0,1,1,0,0,0|0,0,1]=3 248 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)OC MCULE-8000367288 [0,1,1,0,0,0|0,0,0]=2 249 B17R0.13601 CCCCCCCCCCC[C@@H](O)CC(=O)OC MCULE-1368847603 [0,1,1,0,0,0|0,0,0]=2 250 B17R0.13601 CCCCCCCCCCC[C@@H](O)CC(=O)OC MCULE-8476674429 [0,1,1,0,0,0|0,0,0]=2 251 B17R0.13601 CCCCCCCCCCC[C@H](O)CC(=O)OC MCULE-3225151626 [0,1,1,0,0,0|0,0,0]=2 252 B17R0.14245 C=C(C)C(=O)NCCCCCCCCCCCC MCULE-5195398178 [0,1,1,0,0,0|1,0,1]=4 253 B17R0.14245 C=C(C)C(=O)OCCCCCCCCCCCC MCULE-1325716455 [0,1,1,0,0,0|0,0,1]=3 254 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)C MCULE-4750784105 [0,1,1,0,0,0|0,0,0]=2 255 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)O MCULE-6419399022 [0,1,1,0,0,0|0,0,0]=2 256 B17R0.14363 COC(=O)CCCCCCCCCCCC(C)C MCULE-7567240413 [0,1,1,0,0,0|0,0,0]=2 257 B17R0.14363 COC(=O)CCCCCCCCCCCN(=O)=O MCULE-6283066513 [0,1,1,0,0,0|2,0,0]=4 258 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O MCULE-4134557983 [0,1,1,0,0,0|0,0,1]=3 259 B17R0.43 C(=C\CCCCCCCC(=O)O)\CCCCCC MCULE-4164601038 [0,1,1,0,0,0|0,0,1]=3 260 B17R0.43 C/C=C/CCCCCCCCCCCOC(=O)C MCULE-7955168231 [0,1,1,0,0,0|0,0,1]=3 261 B17R0.43 C/C=C\CCCCCCCCCCCOC(=O)C MCULE-7310879607 [0,1,1,0,0,0|0,0,1]=3 262 B17R0.43 C=C(C)CCCCCCCCCCCCCCC MCULE-5834819134 [0,1,1,0,0,0|2,0,0]=4 263 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O MCULE-8140028401 [0,1,1,0,0,0|0,0,1]=3 264 B17R0.43 CC/C=C/CCCCCCCCCCOC(=O)C MCULE-2310057958 [0,1,1,0,0,0|0,0,1]=3 265 B17R0.43 CC/C=C\CCCCCCCCCCOC(=O)C MCULE-7183538783 [0,1,1,0,0,0|0,0,1]=3 266 B17R0.43 CC=CCCCCCCCCCCCOC(=O)C MCULE-4294509038 [0,1,1,0,0,0|0,0,1]=3 267 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C MCULE-2778068630 [0,1,1,0,0,0|0,0,1]=3 268 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O MCULE-1066074154 [0,1,1,0,0,0|0,0,1]=3 269 B17R0.43 CCCCC=CCCCCCCCCOC(=O)C MCULE-7849945627 [0,1,1,0,0,0|0,0,1]=3 270 B17R0.43 CCCCCC/C=C/CCCCCCCC(=O)O MCULE-7392284639 [0,1,1,0,0,0|0,0,1]=3 271 B17R0.43 CCCCCCC=CCCCCCCCC(=O)Cl MCULE-6281700163 [0,1,1,0,0,0|1,0,1]=4 272 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N MCULE-8315425906 [0,1,1,0,0,0|1,0,1]=4 273 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O MCULE-1221038996 [0,1,1,0,0,0|0,0,1]=3 274 B17R0.43 CCCCCCC=CCCCCCCCC(=O)[O-] MCULE-3270578280 [0,1,1,0,0,0|0,0,2]=4 275 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)O MCULE-5806437824 [0,1,1,0,0,0|0,0,1]=3 276 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)[O-] MCULE-6515937092 [0,1,1,0,0,0|0,0,2]=4 277 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O MCULE-9907029105 [0,1,1,0,0,0|0,0,1]=3 278 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O MCULE-6678867297 [0,1,1,0,0,0|0,0,1]=3 279 B17R0.43 CCCCCCCCCC=CCCCCC(=O)[O-] MCULE-8329798146 [0,1,1,0,0,0|0,0,2]=4 280 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O MCULE-9949483894 [0,1,1,0,0,0|0,0,1]=3 281 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O MCULE-7063165347 [0,1,1,0,0,0|0,0,1]=3 282 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O MCULE-1309002877 [0,1,1,0,0,0|0,0,1]=3 283 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [0,1,1,0,0,0|1,0,0]=3 284 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [0,1,1,0,0,0|1,0,0]=3 285 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [0,1,1,0,0,0|1,0,0]=3 286 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [0,1,1,0,0,0|0,0,0]=2 287 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [0,1,1,0,0,0|0,1,0]=3 288 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [0,1,1,0,0,0|0,0,1]=3 289 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [0,1,1,0,0,0|0,0,1]=3 290 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [0,1,1,0,0,0|0,0,1]=3 291 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [0,1,1,0,0,0|1,0,1]=4 292 B17R0.43 CCCCCCCCCCCCCCOC(=O)C MCULE-9791397433 [0,1,1,0,0,0|0,0,0]=2 293 B17R0.43 CCCCCCCCCCCCNCCC(=O)O MCULE-6849446767 [0,1,1,0,0,0|0,0,0]=2 294 B17R0.43 CCCCCCCCCCCCSCCC(=O)N MCULE-2326780267 [0,1,1,0,0,0|1,0,0]=3 295 B17R0.43 CCCCCCCCCCCCSCCC(=O)O MCULE-1413456430 [0,1,1,0,0,0|0,0,0]=2 296 B17R0.43 CCCCCCCCSCCCCCCC(=O)O MCULE-3418202255 [0,1,1,0,0,0|0,0,0]=2 297 B17R0.43 NCCCCCCCCCCCCCCC(=O)O MCULE-8397983958 [0,1,1,0,0,0|0,0,0]=2 298 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr MCULE-4704611362 [0,1,1,0,0,0|0,0,0]=2 299 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [0,1,1,0,0,0|0,0,0]=2 300 B17R0.139 CCCCCCC(=O)CCCCCCCC(=O)O MCULE-6444361858 [0,1,1,0,0,0|0,0,1]=3 301 B17R0.139 CCCCCCC(O)CCCCCCCC(=O)O MCULE-7282521786 [0,1,1,0,0,0|0,0,0]=2 302 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O MCULE-6143868562 [0,1,1,0,0,0|1,0,1]=4 303 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)O MCULE-7840259089 [0,1,1,0,0,0|1,0,1]=4 304 B17R0.197 CCCCCCCCCCCCCCC(C)(C)O MCULE-2166606818 [0,1,1,0,0,0|1,0,1]=4 305 B17R0.197 CCCCCCCCCCCCCCN(=O)(C)C MCULE-3156806835 [0,1,1,0,0,0|2,0,0]=4 306 B17R0.197 CCCCCCCCCCCCCCP(=O)(C)C MCULE-8360621046 [0,1,1,0,0,0|2,0,0]=4 307 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O MCULE-4571824808 [0,1,1,0,0,0|1,0,0]=3 308 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2130157408 [0,1,1,0,0,0|1,0,1]=4 309 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2309434065 [0,1,1,0,0,0|1,0,1]=4 310 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-6601401599 [0,1,1,0,0,0|2,0,0]=4 311 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9455261518 [0,1,1,0,0,0|2,0,0]=4 312 B17R0.1713 CC(=O)CCCCCCCCCCCCC(=O)C MCULE-2549585763 [0,1,1,0,0,0|1,0,1]=4 313 B17R0.1713 CC(=O)CCCCCCCCCCCCC(C)O MCULE-7245064176 [0,1,1,0,0,0|1,0,0]=3 314 B17R0.1713 CC(=O)OCCCCCCCCCCOC(=O)C MCULE-9277627786 [0,1,1,0,0,0|1,0,1]=4 315 B17R0.1713 CC(C)CCCCCCC=CCCCCC(=O)O MCULE-6535472157 [0,1,1,0,0,0|0,0,2]=4 316 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O MCULE-2401625440 [0,1,1,0,0,0|0,0,0]=2 317 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O MCULE-4147611614 [0,1,1,0,0,0|1,0,1]=4 318 B17R0.8801 CCCCCCCCCC(=O)CCCCC(=O)O MCULE-8828861735 [0,1,1,0,0,0|0,0,1]=3 319 B17R0.8801 CCCCCCCCCC(O)CCCCC(=O)O MCULE-5501959746 [0,1,1,0,0,0|0,0,0]=2 320 B17R0.117 C=CCCCCCCCCCCCCCCCBr MCULE-9221401419 [0,1,1,0,0,0|2,0,0]=4 321 B17R0.117 C=CCCCCCCCCCCCCCCCC MCULE-2516709852 [0,1,1,0,0,0|2,0,0]=4 322 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [0,1,1,0,0,0|1,0,0]=3 323 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [0,1,1,0,0,0|1,0,1]=4 324 B17R0.117 CCCCCCCCCCCCCCNCCO MCULE-9295121461 [0,1,1,0,0,0|1,0,1]=4 325 B17R0.117 CCCCCCCCCCCCCCOCCO MCULE-7801199331 [0,1,1,0,0,0|0,0,2]=4 326 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-3687360805 [0,1,1,0,0,0|1,0,1]=4 327 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-8888652835 [0,1,1,0,0,0|1,0,1]=4 328 B17R0.117 OCCCCCCCCCCCCCCCCBr MCULE-1022662758 [0,1,1,0,0,0|1,0,1]=4 329 B17R0.117 OCCCCCCCCCCCCCCCCO MCULE-4723598157 [0,1,1,0,0,0|0,0,2]=4 330 B17R0.117 OCCCCCCCCCCCCCCCCS MCULE-2183879155 [0,1,1,0,0,0|0,1,1]=4 331 B17R0.950 CCCCCOC(=O)CCC(=O)OCCCCC MCULE-9806354021 [0,1,1,0,0,0|1,0,1]=4 332 B17R1.444 O=C1CCCCCCCCCCCCCC1O MCULE-8613374918 [0,1,0,0,1,0|0,0,0]=2 333 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 MCULE-6947527863 [0,1,0,0,1,0|0,0,0]=2 334 B17R1.11267 C[C@@H]1CCCCCCCCCCCCC(=O)C1 MCULE-5431997913 [0,1,0,0,1,0|0,0,0]=2 335 B17R1.27002 ON=C1CCCCCCCCCCCCCC1 MCULE-3556616768 [0,1,0,0,1,0|0,0,1]=3 336 B19R1.195866 O=C1CCCCCCCCCCCC(=O)OCCO1 MCULE-6908825525 [0,1,0,0,0,1|0,0,1]=3 337 B19R1.248146 O=C1CCCCCCCC(=O)OCCCCCCO1 MCULE-1334027164 [0,1,0,0,0,1|0,0,1]=3 338 B19R1.248146 O=C1CCCCCCCCC(=O)OCCCCCO1 MCULE-2321045871 [0,1,0,0,0,1|0,0,1]=3 339 B19R1.103752 O=C1CCCCCCCCCCC(=NO)CCCO1 MCULE-3904344532 [0,2,0,0,0,0|0,0,1]=3 340 B17R1.995 CCOC(=O)CCCCCCN1CCOCC1 MCULE-5702909949 [0,0,1,1,0,0|2,0,0]=4 341 B17R1.995 CCOC(=O)CCCCCCN1CCOCC1 MCULE-9258997152 [0,0,1,1,0,0|2,0,0]=4 342 B17R1.16924 CCCCCCCCCCC1CC(=O)OC1=O MCULE-9651527764 [0,0,1,1,0,0|1,0,1]=4 343 B17R1.3409 CCCCOC(=O)CCCCCCCC1CO1 MCULE-2955436845 [0,0,1,1,0,0|1,0,0]=3 344 B17R1.1287 CCCCCCNC(=O)OCC1CCCCC1 MCULE-7694408438 [0,0,1,1,0,0|1,0,0]=3 345 B17R1.6947 CCCCCCCCC(=O)N1CCNCC1C MCULE-2987629093 [0,0,1,1,0,0|2,0,0]=4 346 B17R1.51073 CCCCCCCCC(=O)N1CCCNCC1 MCULE-2104956669 [0,0,1,1,0,0|2,0,0]=4 347 B17R1.11 CCCCCCCCCCC1CCC(=O)CC1 MCULE-6921542760 [0,0,1,1,0,0|1,0,0]=3 348 B17R1.5249 CCCCCCCCCCCCC1CCC1=O MCULE-7126495482 [0,0,1,1,0,0|1,0,0]=3 349 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 MCULE-6908979958 [0,0,1,1,0,0|1,0,0]=3 350 B17R1.180031 O=C(CCl)NC1CCCCCCCCCCC1 MCULE-2846108027 [0,0,1,1,0,0|2,0,0]=4 351 B17R1.451 O=C(O)CCCCCCNC1CCCCC1O MCULE-9633666775 [0,0,1,1,0,0|2,0,0]=4 352 B17R1.16233 CC(=O)ON=C1CCCCCCCCCCC1 MCULE-1168920718 [0,0,1,1,0,0|1,0,1]=4 353 B17R1.16233 O=C(O)CCC1CCCCCCCCCCC1 MCULE-2797848894 [0,0,1,1,0,0|0,0,0]=2 354 B17R1.29093 CCCCCCCCCCCCCCC1CO1 MCULE-4791898371 [0,0,1,1,0,0|1,0,1]=4 355 B17R1.754 CCCCCCCCCC(=O)N1CCCCC1 MCULE-9011954076 [0,0,1,1,0,0|1,0,0]=3 356 B17R1.754 CCCCCCCCCC(=O)N1CCOCC1 MCULE-6606652017 [0,0,1,1,0,0|2,0,0]=4 357 B17R1.754 CCCCCCCCNC(=O)C1CCCCC1 MCULE-7234448220 [0,0,1,1,0,0|1,0,0]=3 358 B17R1.754 CCCCOCCCNC(=O)C1CCCCC1 MCULE-2096481202 [0,0,1,1,0,0|2,0,0]=4 359 B17R1.40448 CCCCCCC(=O)NC1CCCCCCC1 MCULE-2467889653 [0,0,1,1,0,0|1,0,0]=3 360 B17R2.451771 C1CCCCCCC2OC2CCCCCC1 MCULE-1064436620 [1,0,0,1,0,0|0,0,1]=3 361 B17R2.254747 O=C1NCCCCCCNC2C1CCCC2 MCULE-1714348468 [0,0,0,1,1,0|2,0,0]=4 362 B17R2.254747 O=C1NCCCCCCN[C@@H]2[C@H]1CCCC2 MCULE-6259990936 [0,0,0,1,1,0|2,0,0]=4 363 B19R2.7248 O=C1CC2CCCCN2CCCCNCCCN1 MCULE-7272078000 [0,0,0,1,0,1|2,0,0]=4 364 B19R2.7248 O=C1CC2CCCCN2CCCCNCCCN1 MCULE-7576431973 [0,0,0,1,0,1|2,0,0]=4 365 B19R2.7248 O=C1CC2CCCCN2CCCNCCCCN1 MCULE-2318502096 [0,0,0,1,0,1|2,0,0]=4 366 B15R1.2988 C1CCCCCCCCCCCCCC1 MCULE-3080496617 [1,0,0,0,1,0|0,0,1]=3 367 B15R1.6595 O=C1CCCCCCCCCCCCO1 MCULE-3692667490 [0,0,0,0,2,0|0,0,0]=2 368 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 MCULE-3888851261 [0,0,0,0,0,2|0,0,0]=2