0 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(=O)O MCULE-1566577041 [0,0,0,0,0,0|0,0,4]=4 1 B20R0.90 CCCCCCC(O)CC=CCCCCCCCC(=O)O MCULE-9156595873 [0,0,0,0,0,0|0,0,0]=0 2 B20R0.90 CCCCCCC(O)CC=CCCCCCCCC(=O)[O-] MCULE-5146180349 [0,0,0,0,0,0|0,0,1]=1 3 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O MCULE-9965131742 [0,0,0,0,0,0|0,0,2]=2 4 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] MCULE-3302391414 [0,0,0,0,0,0|0,0,3]=3 5 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] MCULE-5748846792 [0,0,0,0,0,0|0,0,3]=3 6 B20R0.90 CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O MCULE-8991093142 [0,0,0,0,0,0|0,0,0]=0 7 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-9036760572 [0,0,0,0,0,0|0,0,0]=0 8 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-9159266494 [0,0,0,0,0,0|0,0,0]=0 9 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)[O-] MCULE-5859199839 [0,0,0,0,0,0|0,0,1]=1 10 B19R0.149 C#CCCCCCCC=CCCCCCCCC(=O)O MCULE-1916928955 [1,0,0,0,0,0|0,0,2]=3 11 B19R0.149 C(=CCC=CCCCCCCCC(=O)[O-])CCCCC MCULE-1720910553 [1,0,0,0,0,0|0,0,3]=4 12 B19R0.149 CCCCC/C=C/C/C=C/CCCCCCCC(=O)O MCULE-9671518710 [1,0,0,0,0,0|0,0,2]=3 13 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl MCULE-6827945261 [1,0,0,0,0,0|1,0,2]=4 14 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)N MCULE-7860164761 [1,0,0,0,0,0|1,0,2]=4 15 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O MCULE-1893075589 [1,0,0,0,0,0|0,0,2]=3 16 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-] MCULE-5401047890 [1,0,0,0,0,0|0,0,3]=4 17 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)O MCULE-7560777471 [1,0,0,0,0,0|0,0,2]=3 18 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)[O-] MCULE-3471454739 [1,0,0,0,0,0|0,0,3]=4 19 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)Cl MCULE-8339630929 [1,0,0,0,0,0|1,0,2]=4 20 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)N MCULE-1749485522 [1,0,0,0,0,0|1,0,2]=4 21 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O MCULE-4653646367 [1,0,0,0,0,0|0,0,2]=3 22 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O MCULE-7336256238 [1,0,0,0,0,0|0,0,2]=3 23 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)[O-] MCULE-1021972744 [1,0,0,0,0,0|0,0,3]=4 24 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)N MCULE-5519396278 [1,0,0,0,0,0|1,0,0]=2 25 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [1,0,0,0,0,0|0,0,0]=1 26 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)Cl MCULE-5061148760 [1,0,0,0,0,0|1,0,0]=2 27 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)N MCULE-1236789578 [1,0,0,0,0,0|1,0,0]=2 28 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [1,0,0,0,0,0|0,0,0]=1 29 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-1498747483 [1,0,0,0,0,0|0,0,1]=2 30 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-4937469311 [1,0,0,0,0,0|0,0,1]=2 31 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O MCULE-9461095927 [1,0,0,0,0,0|0,0,2]=3 32 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O MCULE-1324819009 [1,0,0,0,0,0|0,0,2]=3 33 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl MCULE-5110239318 [1,0,0,0,0,0|1,0,0]=2 34 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N MCULE-2101563329 [1,0,0,0,0,0|1,0,0]=2 35 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [1,0,0,0,0,0|0,0,0]=1 36 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-2893862044 [1,0,0,0,0,0|0,0,1]=2 37 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-4188975486 [1,0,0,0,0,0|0,0,1]=2 38 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O MCULE-8183826174 [1,0,0,0,0,0|0,0,2]=3 39 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [1,0,0,0,0,0|1,0,2]=4 40 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl MCULE-2308152010 [1,0,0,0,0,0|1,0,2]=4 41 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)F MCULE-2181448420 [1,0,0,0,0,0|1,0,2]=4 42 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [1,0,0,0,0,0|1,0,2]=4 43 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [1,0,0,0,0,0|0,0,2]=3 44 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-2987899692 [1,0,0,0,0,0|0,0,3]=4 45 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-3875570730 [1,0,0,0,0,0|0,0,3]=4 46 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6249269089 [1,0,0,0,0,0|0,0,3]=4 47 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6599303223 [1,0,0,0,0,0|0,0,3]=4 48 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O MCULE-8180884322 [1,0,0,0,0,0|1,0,2]=4 49 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [1,0,0,0,0,0|1,0,1]=3 50 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr MCULE-8185924357 [1,0,0,0,0,0|1,0,2]=4 51 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [1,0,0,0,0,0|1,0,2]=4 52 B19R0.18065 CCCCCCC(O)CCCCCCCCCCCO MCULE-1479121850 [1,0,0,0,0,0|0,0,3]=4 53 B21R0.21192 CCCCCCC(O)CC=CCCCCCCCC(=O)OC MCULE-5183068201 [0,1,0,0,0,0|0,0,0]=1 54 B21R0.21192 CCCCCCC(O)CCCCCCCCCCC(=O)OC MCULE-2811244518 [0,1,0,0,0,0|0,0,2]=3 55 B21R0.21192 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OC MCULE-5897136444 [0,1,0,0,0,0|0,0,0]=1 56 B21R0.37067 CCCCCC(O)C(=O)CC=CCCCCCCCC(=O)O MCULE-7966720696 [0,1,0,0,0,0|0,0,2]=3 57 B21R0.37067 CCCCC[C@@H](O)[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-2340026715 [0,1,0,0,0,0|0,0,0]=1 58 B21R1.988145 CCCCCCC1CC1CCCCCCCCCC(=O)O MCULE-9526160011 [0,0,0,1,0,0|1,0,2]=4 59 B19R0.26289 CCCCCCC(=O)CCCCCCCCCC(=O)O MCULE-8472999265 [0,0,0,0,1,0|0,0,3]=4 60 B19R0.26289 CCCCCCC(O)CCCCCCCCCC(=O)O MCULE-3978963802 [0,0,0,0,1,0|0,0,1]=2 61 B18R0.176 CCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7425245696 [2,0,0,0,0,0|0,0,2]=4 62 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O MCULE-8054022250 [2,0,0,0,0,0|0,0,2]=4 63 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [2,0,0,0,0,0|1,0,1]=4 64 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [2,0,0,0,0,0|1,0,1]=4 65 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [2,0,0,0,0,0|0,0,1]=3 66 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [2,0,0,0,0,0|0,0,2]=4 67 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [2,0,0,0,0,0|1,0,1]=4 68 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [2,0,0,0,0,0|1,0,1]=4 69 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [2,0,0,0,0,0|1,0,1]=4 70 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [2,0,0,0,0,0|1,0,1]=4 71 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [2,0,0,0,0,0|1,0,1]=4 72 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [2,0,0,0,0,0|1,0,1]=4 73 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [2,0,0,0,0,0|1,0,1]=4 74 B18R0.221 CCCCC/C=C\C/C=C\CCCCCCCC=O MCULE-4225998454 [2,0,0,0,0,0|0,0,2]=4 75 B18R0.221 CCCCCC=CCC=CCCCCCCCC=O MCULE-8122185913 [2,0,0,0,0,0|0,0,2]=4 76 B18R0.221 CCCCCCCC/C=C\CCCCCCCC=O MCULE-3882347276 [2,0,0,0,0,0|0,0,0]=2 77 B18R0.221 CCCCCCCC/C=C\CCCCCCCCBr MCULE-7059336133 [2,0,0,0,0,0|1,0,1]=4 78 B18R0.221 CCCCCCCC/C=C\CCCCCCCCN MCULE-9776233855 [2,0,0,0,0,0|1,0,1]=4 79 B18R0.221 CCCCCCCC/C=C\CCCCCCCCO MCULE-1321155051 [2,0,0,0,0,0|0,0,1]=3 80 B18R0.221 CCCCCCCCC=CCCCCCCCC=O MCULE-6432973422 [2,0,0,0,0,0|0,0,0]=2 81 B18R0.221 CCCCCCCCC=CCCCCCCCCBr MCULE-1599413369 [2,0,0,0,0,0|1,0,1]=4 82 B18R0.221 CCCCCCCCC=CCCCCCCCCCl MCULE-3153595635 [2,0,0,0,0,0|1,0,1]=4 83 B18R0.221 CCCCCCCCC=CCCCCCCCCN MCULE-8937925903 [2,0,0,0,0,0|1,0,1]=4 84 B18R0.221 CCCCCCCCC=CCCCCCCCCO MCULE-7776107404 [2,0,0,0,0,0|0,0,1]=3 85 B18R0.221 CCCCCCCCCCCCCCCCCC=O MCULE-6723633168 [2,0,0,0,0,0|0,0,2]=4 86 B18R0.2 CCCCC(O)CCCCCCCCCCC(=O)O MCULE-4787616333 [2,0,0,0,0,0|0,0,2]=4 87 B20R0.68 CCCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-8826251310 [1,1,0,0,0,0|0,0,1]=3 88 B20R0.68 CCCCCCCCC(O)CCCCCCCCC(=O)O MCULE-8431505935 [1,1,0,0,0,0|0,0,2]=4 89 B20R0.68 CCCCCCCC[C@H](O)/C=C/CCCCCCC(=O)O MCULE-2811502976 [1,1,0,0,0,0|0,0,2]=4 90 B20R0.68 CCCCCCCC[C@H](O)C=CCCCCCCC(=O)O MCULE-1316608323 [1,1,0,0,0,0|0,0,2]=4 91 B20R0.2931 CCCCCCCCCCCCCCCC(C)CC(=O)O MCULE-5539838856 [1,1,0,0,0,0|0,0,2]=4 92 B20R0.2931 CCCCCCCCCCCCCCCC(O)CC(=O)O MCULE-4092969179 [1,1,0,0,0,0|0,0,2]=4 93 B20R0.3034 CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC MCULE-4142533371 [1,1,0,0,0,0|0,0,2]=4 94 B20R0.3034 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC MCULE-1089286417 [1,1,0,0,0,0|0,0,2]=4 95 B20R0.3034 CCCCCC=CCC=CCCCCCCCC(=O)OC MCULE-4399438587 [1,1,0,0,0,0|0,0,2]=4 96 B20R0.3034 CCCCCCC=CC=CCCCCCCCC(=O)OC MCULE-9043062815 [1,1,0,0,0,0|0,0,2]=4 97 B20R0.3034 CCCCCCCC/C=C/CCCCCCCC(=O)OC MCULE-6969329015 [1,1,0,0,0,0|0,0,0]=2 98 B20R0.3034 CCCCCCCC/C=C\CCCCCCCC(=O)OC MCULE-4995415924 [1,1,0,0,0,0|0,0,0]=2 99 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)NO MCULE-4738313374 [1,1,0,0,0,0|0,0,0]=2 100 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC MCULE-8140747078 [1,1,0,0,0,0|0,0,0]=2 101 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC MCULE-4040350805 [1,1,0,0,0,0|0,0,2]=4 102 B20R0.3037 CCCCC/C=C\C/C=C\CCCCCCC(O)C(=O)O MCULE-8113531498 [1,1,0,0,0,0|0,0,2]=4 103 B20R0.3037 CCCCCC=CCC=CCCCCCCC(O)C(=O)O MCULE-5221430707 [1,1,0,0,0,0|0,0,2]=4 104 B20R0.3037 CCCCCCCC/C=C/CCCCCCC(O)C(=O)O MCULE-6297531356 [1,1,0,0,0,0|0,0,0]=2 105 B20R0.3037 CCCCCCCC/C=C\CCCCCCC(O)C(=O)O MCULE-6413909495 [1,1,0,0,0,0|0,0,0]=2 106 B20R0.3037 CCCCCCCC/C=C\CCCCCCC(O)C(=O)[O-] MCULE-1818161232 [1,1,0,0,0,0|0,0,1]=3 107 B20R0.3037 CCCCCCCCC=CCCCCCCC(O)C(=O)O MCULE-1012353675 [1,1,0,0,0,0|0,0,0]=2 108 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O MCULE-2391452296 [1,1,0,0,0,0|0,0,2]=4 109 B20R0.3037 CCCCCCCCCCCCCCCCC(C)C(=O)O MCULE-9187669622 [1,1,0,0,0,0|0,0,2]=4 110 B20R0.3037 CCCCCCCCCCCCCCCCC(Cl)C(=O)O MCULE-5489236535 [1,1,0,0,0,0|0,0,2]=4 111 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-2412559497 [1,1,0,0,0,0|0,0,2]=4 112 B20R0.17440 CCCCCCCCCC(=O)CCCCCCCC(=O)O MCULE-9953422548 [1,1,0,0,0,0|0,0,1]=3 113 B20R0.17440 CCCCCCCCCC(O)CCCCCCCC(=O)O MCULE-4076526032 [1,1,0,0,0,0|0,0,2]=4 114 B20R0.22238 CCCCCCCCCCCCC(O)CCCCC(=O)O MCULE-1743910978 [1,1,0,0,0,0|0,0,2]=4 115 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)O MCULE-2714583803 [1,1,0,0,0,0|0,0,2]=4 116 B20R0.31940 CCCCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7761893081 [1,1,0,0,0,0|0,0,0]=2 117 B20R0.31940 CCCCCCCCC=CCCCCCCCCC(=O)O MCULE-7486728155 [1,1,0,0,0,0|0,0,0]=2 118 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O MCULE-3651545554 [1,1,0,0,0,0|0,0,2]=4 119 B20R0.31940 CCCCCCCCCCCCNCCCCCC(=O)O MCULE-2808072086 [1,1,0,0,0,0|0,0,2]=4 120 B20R0.31940 CCCCCCCNCCCCCCCCCCC(=O)O MCULE-1452338178 [1,1,0,0,0,0|0,0,2]=4 121 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCBr MCULE-1900787768 [1,1,0,0,0,0|0,0,2]=4 122 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO MCULE-7843488730 [1,1,0,0,0,0|0,0,2]=4 123 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCS MCULE-8278921645 [1,1,0,0,0,0|0,0,2]=4 124 B20R0.31968 CCCCC/C=C\C/C=C\C(O)CCCCCCC(=O)O MCULE-8147130899 [1,1,0,0,0,0|0,0,2]=4 125 B20R0.31968 CCCCCC/C=C\C=C\C(O)CCCCCCC(=O)O MCULE-2411705963 [1,1,0,0,0,0|0,0,2]=4 126 B20R0.31968 CCCCCC=CCC=CC(O)CCCCCCC(=O)O MCULE-2255729017 [1,1,0,0,0,0|0,0,2]=4 127 B20R0.32069 CCCCCCCC(O)/C=C/CCCCCCCC(=O)O MCULE-7928736271 [1,1,0,0,0,0|0,0,0]=2 128 B20R0.32069 CCCCCCCC(O)CCCCCCCCCC(=O)O MCULE-4849469492 [1,1,0,0,0,0|0,0,2]=4 129 B20R0.32990 CCCCCC(O)C=CC=CCCCCCCCC(=O)O MCULE-2851843624 [1,1,0,0,0,0|0,0,2]=4 130 B20R0.32990 CCCCCC(O)CCCCCCCCCCCC(=O)O MCULE-1833542033 [1,1,0,0,0,0|0,0,2]=4 131 B20R0.32990 CCCCC[C@@H](O)C=CC=CCCCCCCCC(=O)O MCULE-1362574554 [1,1,0,0,0,0|0,0,2]=4 132 B20R0.32990 CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O MCULE-7853168460 [1,1,0,0,0,0|0,0,2]=4 133 B20R0.32990 CCCCC[C@H](O)C=CC=CCCCCCCCC(=O)O MCULE-6317284446 [1,1,0,0,0,0|0,0,2]=4 134 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)O MCULE-8317997046 [1,1,0,0,0,0|0,0,2]=4 135 B22R0.22583 CCCCCCC(O)CC(O)C(O)CCCCCCCC(=O)O MCULE-6983782266 [0,2,0,0,0,0|0,0,2]=4 136 B22R0.22583 CCCCCCC(O)CC(O)[C@@H](O)CCCCCCCC(=O)O MCULE-8139501570 [0,2,0,0,0,0|0,0,2]=4 137 B22R0.29 CCCCCC=CC[C@H](O)C=CC=CCCCCCCC(=O)O MCULE-9873530777 [0,2,0,0,0,0|0,0,2]=4 138 B22R0.726732 CCCCC[C@H](O)[C@@H](O)C=C[C@@H](O)CCCCCCCC(=O)O MCULE-6150972861 [0,2,0,0,0,0|0,0,2]=4 139 B22R0.38211 CCCCCCC(O)CCCCCCCCCCC(=O)OCC MCULE-5339275906 [0,2,0,0,0,0|0,0,2]=4 140 B22R0.38211 [C@H](O)(CC=CCCCCCCCC(=O)OCC)CCCCCC MCULE-7818588594 [0,2,0,0,0,0|0,0,0]=2 141 B20R1.250 CCCCCCCCCCCCCC1CCCC(=O)O1 MCULE-8092098189 [1,0,0,1,0,0|0,0,2]=4 142 B20R1.3309 CCCCCCCCCCCCCCC1CCC(=O)O1 MCULE-6794732521 [1,0,0,1,0,0|0,0,2]=4 143 B20R1.58016 CCCCCCC1CCCC1CCCCCCC(=O)O MCULE-9548075936 [1,0,0,1,0,0|0,0,2]=4 144 B22R1.171978 CCCCCC[C@@H](O)CC1OC1CCCCCCCC(=O)O MCULE-2745592052 [0,0,0,1,0,1|0,0,2]=4 145 B22R1.348 CCCCCC(O)C1CC=CC(O1)CCCCCCC(=O)O MCULE-1728259151 [0,1,0,1,0,0|0,0,0]=2 146 B18R0.3137 CCCCCC(O)CCCCCCCCCC(=O)O MCULE-6108684848 [1,0,0,0,1,0|0,0,1]=3 147 B18R0.127 CCCCCCC(=O)CCCCCCCCC(=O)O MCULE-2041137649 [0,0,0,0,2,0|0,0,2]=4 148 B18R0.127 CCCCCCC(O)CCCCCCCCC(=O)O MCULE-1427500455 [0,0,0,0,2,0|0,0,0]=2 149 B22R0.9409 CCCCCC[C@@H](O)CC=CCCCCCCCCCC(=O)O MCULE-9597800948 [0,0,0,0,0,2|0,0,0]=2