0 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O MCULE-7083652608 [0,0,0,0,0,0|0,0,4]=4 1 B19R0.149 CCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-1460805964 [0,0,0,0,0,0|0,0,4]=4 2 B19R0.149 CCCCC/C=C/C/C=C/CCCCCCCC(=O)O MCULE-9671518710 [0,0,0,0,0,0|0,0,4]=4 3 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O MCULE-1893075589 [0,0,0,0,0,0|0,0,4]=4 4 B19R0.149 CCCCC/C=C\C=C\C=C\CCCCCCC(=O)O MCULE-5088543212 [0,0,0,0,0,0|0,0,4]=4 5 B19R0.149 CCCCC/C=C\C=C\CCCCCCCCC(=O)O MCULE-3950099456 [0,0,0,0,0,0|0,0,2]=2 6 B19R0.149 CCCCC=CC=CC=CCCCCCCCC(=O)O MCULE-1298774481 [0,0,0,0,0,0|0,0,4]=4 7 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O MCULE-2741584353 [0,0,0,0,0,0|0,0,4]=4 8 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)O MCULE-7560777471 [0,0,0,0,0,0|0,0,2]=2 9 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)[O-] MCULE-3471454739 [0,0,0,0,0,0|0,0,3]=3 10 B19R0.149 CCCCCC/C=C/CCCCCCCCCC(=O)O MCULE-6829224594 [0,0,0,0,0,0|0,0,0]=0 11 B19R0.149 CCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-4733251398 [0,0,0,0,0,0|0,0,0]=0 12 B19R0.149 CCCCCC=CC=CC=CCCCCCCC(=O)O MCULE-8937465994 [0,0,0,0,0,0|0,0,4]=4 13 B19R0.149 CCCCCC=CC=CCCCCCCCCC(=O)O MCULE-9350642069 [0,0,0,0,0,0|0,0,2]=2 14 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O MCULE-4653646367 [0,0,0,0,0,0|0,0,4]=4 15 B19R0.149 CCCCCCC=CC#CCCCCCCCC(=O)O MCULE-2923525160 [0,0,0,0,0,0|0,0,2]=2 16 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O MCULE-7336256238 [0,0,0,0,0,0|0,0,2]=2 17 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)[O-] MCULE-1021972744 [0,0,0,0,0,0|0,0,3]=3 18 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)Cl MCULE-2900877236 [0,0,0,0,0,0|1,0,0]=1 19 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)O MCULE-1673564563 [0,0,0,0,0,0|0,0,0]=0 20 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [0,0,0,0,0,0|0,0,4]=4 21 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [0,0,0,0,0,0|0,0,4]=4 22 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O MCULE-9461095927 [0,0,0,0,0,0|0,0,2]=2 23 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O MCULE-1324819009 [0,0,0,0,0,0|0,0,4]=4 24 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [0,0,0,0,0,0|0,0,4]=4 25 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O MCULE-8183826174 [0,0,0,0,0,0|0,0,4]=4 26 B19R0.149 CCCCCCCCCCC/C=C\CCCCC(=O)O MCULE-7468359720 [0,0,0,0,0,0|0,0,4]=4 27 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O MCULE-8691030137 [0,0,0,0,0,0|0,0,4]=4 28 B19R0.149 CCCCCCCCCCCCCCCC=CC(=O)O MCULE-1870065641 [0,0,0,0,0,0|0,0,4]=4 29 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [0,0,0,0,0,0|1,0,2]=3 30 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl MCULE-2308152010 [0,0,0,0,0,0|1,0,2]=3 31 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)F MCULE-2181448420 [0,0,0,0,0,0|1,0,2]=3 32 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [0,0,0,0,0,0|1,0,2]=3 33 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [0,0,0,0,0,0|0,0,2]=2 34 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-2987899692 [0,0,0,0,0,0|0,0,3]=3 35 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-3875570730 [0,0,0,0,0,0|0,0,3]=3 36 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6249269089 [0,0,0,0,0,0|0,0,3]=3 37 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6599303223 [0,0,0,0,0,0|0,0,3]=3 38 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C MCULE-6531755891 [0,0,0,0,0,0|2,0,2]=4 39 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)N MCULE-8393504195 [0,0,0,0,0,0|2,0,2]=4 40 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C MCULE-2100485792 [0,0,0,0,0,0|2,0,2]=4 41 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl MCULE-4015597321 [0,0,0,0,0,0|2,0,2]=4 42 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O MCULE-8180884322 [0,0,0,0,0,0|1,0,2]=3 43 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [0,0,0,0,0,0|1,0,2]=3 44 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr MCULE-8185924357 [0,0,0,0,0,0|1,0,2]=3 45 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [0,0,0,0,0,0|1,0,2]=3 46 B18R0.176 C=C(C)CCCCCCCCCCCCCCCC MCULE-1892085325 [1,0,0,0,0,0|2,0,1]=4 47 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O MCULE-9537148876 [1,0,0,0,0,0|0,0,3]=4 48 B18R0.176 CCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7425245696 [1,0,0,0,0,0|0,0,0]=1 49 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O MCULE-8054022250 [1,0,0,0,0,0|0,0,0]=1 50 B18R0.176 CCCCCCCCCCCCCCCCB(O)O MCULE-2099476935 [1,0,0,0,0,0|1,0,2]=4 51 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [1,0,0,0,0,0|1,0,1]=3 52 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [1,0,0,0,0,0|1,0,1]=3 53 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [1,0,0,0,0,0|0,0,1]=2 54 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [1,0,0,0,0,0|0,0,2]=3 55 B18R0.176 CCCCCCCCCCCCCCCCN(=O)=O MCULE-7589734060 [1,0,0,0,0,0|1,0,2]=4 56 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C MCULE-8455635595 [1,0,0,0,0,0|2,0,1]=4 57 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [1,0,0,0,0,0|1,0,1]=3 58 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [1,0,0,0,0,0|1,0,1]=3 59 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [1,0,0,0,0,0|1,0,1]=3 60 B18R0.176 CCCCCCCCCCCCSCCCC(=O)N MCULE-1673663174 [1,0,0,0,0,0|2,0,1]=4 61 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [1,0,0,0,0,0|1,0,1]=3 62 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [1,0,0,0,0,0|1,0,1]=3 63 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [1,0,0,0,0,0|1,0,1]=3 64 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [1,0,0,0,0,0|1,0,1]=3 65 B18R0.221 C=CCCCCCCCCCCCCCCCCC MCULE-9065008280 [1,0,0,0,0,0|1,0,2]=4 66 B18R0.221 CCCCCCCCCCCC=CCCCCCO MCULE-1709012868 [1,0,0,0,0,0|2,0,1]=4 67 B18R0.221 CCCCCCCCCCCCCCCCCC=O MCULE-6723633168 [1,0,0,0,0,0|0,0,2]=3 68 B18R0.221 CCCCCCCCCCCCCCCCCCO MCULE-4390437415 [1,0,0,0,0,0|0,0,3]=4 69 B20R0.68 CCCCC/C=C\CC(=O)CCCCCCCCC(=O)O MCULE-3623822962 [0,1,0,0,0,0|0,0,3]=4 70 B20R0.68 CCCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-8826251310 [0,1,0,0,0,0|0,0,3]=4 71 B20R0.68 CCCCCCCCC(O)CCCCCCCCC(=O)O MCULE-8431505935 [0,1,0,0,0,0|0,0,2]=3 72 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(=O)O MCULE-1566577041 [0,1,0,0,0,0|0,0,1]=2 73 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O MCULE-9965131742 [0,1,0,0,0,0|0,0,2]=3 74 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] MCULE-3302391414 [0,1,0,0,0,0|0,0,3]=4 75 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] MCULE-5748846792 [0,1,0,0,0,0|0,0,3]=4 76 B20R0.2931 CCCCCCCCCCCCCCCC(=O)CC(=O)O MCULE-8568594657 [0,1,0,0,0,0|0,0,3]=4 77 B20R0.2931 CCCCCCCCCCCCCCCC(C)CC(=O)O MCULE-5539838856 [0,1,0,0,0,0|0,0,2]=3 78 B20R0.2931 CCCCCCCCCCCCCCCC(O)CC(=O)O MCULE-4092969179 [0,1,0,0,0,0|0,0,2]=3 79 B20R0.3034 CCCCCC=CC=CCCCCCCCCC(=O)OC MCULE-4652346494 [0,1,0,0,0,0|0,0,2]=3 80 B20R0.3034 CCCCCC=CCCCCCCCCCCC(=O)OC MCULE-7096013768 [0,1,0,0,0,0|0,0,2]=3 81 B20R0.3034 CCCCCCC=CC=CCCCCCCCC(=O)OC MCULE-9043062815 [0,1,0,0,0,0|0,0,2]=3 82 B20R0.3034 CCCCCCC=CCCCCCCCCCC(=O)OC MCULE-2695096983 [0,1,0,0,0,0|0,0,0]=1 83 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC MCULE-5204951477 [0,1,0,0,0,0|1,0,2]=4 84 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NN MCULE-7304182763 [0,1,0,0,0,0|1,0,2]=4 85 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC MCULE-4040350805 [0,1,0,0,0,0|0,0,2]=3 86 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO MCULE-1486220691 [0,1,0,0,0,0|1,0,2]=4 87 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O MCULE-2391452296 [0,1,0,0,0,0|0,0,2]=3 88 B20R0.3037 CCCCCCCCCCCCCCCCC(C)C(=O)Cl MCULE-5415927928 [0,1,0,0,0,0|1,0,2]=4 89 B20R0.3037 CCCCCCCCCCCCCCCCC(C)C(=O)O MCULE-9187669622 [0,1,0,0,0,0|0,0,2]=3 90 B20R0.3037 CCCCCCCCCCCCCCCCC(Cl)C(=O)O MCULE-5489236535 [0,1,0,0,0,0|0,0,2]=3 91 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-2412559497 [0,1,0,0,0,0|0,0,2]=3 92 B20R0.10422 CCCCCCCCCCCC(=O)CCCCCC(=O)O MCULE-7546735332 [0,1,0,0,0,0|0,0,3]=4 93 B20R0.17440 CCCCC/C=C/C=C/C(O)CCCCCCCC(=O)O MCULE-6685866242 [0,1,0,0,0,0|0,0,2]=3 94 B20R0.17440 CCCCCC=CC=CC(=O)CCCCCCCC(=O)O MCULE-6695168369 [0,1,0,0,0,0|0,0,3]=4 95 B20R0.17440 CCCCCC=CC=CC(O)CCCCCCCC(=O)O MCULE-6670917423 [0,1,0,0,0,0|0,0,2]=3 96 B20R0.17440 CCCCCC=CC=C[C@@H](O)CCCCCCCC(=O)O MCULE-8439307769 [0,1,0,0,0,0|0,0,2]=3 97 B20R0.17440 CCCCCC=CC=C[C@H](O)CCCCCCCC(=O)O MCULE-6026148505 [0,1,0,0,0,0|0,0,2]=3 98 B20R0.17440 CCCCCCCCCC(=O)CCCCCCCC(=O)O MCULE-9953422548 [0,1,0,0,0,0|0,0,3]=4 99 B20R0.17440 CCCCCCCCCC(O)CCCCCCCC(=O)O MCULE-4076526032 [0,1,0,0,0,0|0,0,2]=3 100 B20R0.22238 CCCCCCCCCCCCC(O)CCCCC(=O)O MCULE-1743910978 [0,1,0,0,0,0|0,0,2]=3 101 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)C MCULE-4864635707 [0,1,0,0,0,0|1,0,2]=4 102 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)O MCULE-2714583803 [0,1,0,0,0,0|0,0,2]=3 103 B20R0.31940 CCCCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7761893081 [0,1,0,0,0,0|0,0,2]=3 104 B20R0.31940 CCCCCCCCC=CCCCCCCCCC(=O)O MCULE-7486728155 [0,1,0,0,0,0|0,0,2]=3 105 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)C MCULE-6612200716 [0,1,0,0,0,0|1,0,2]=4 106 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)Cl MCULE-8687950753 [0,1,0,0,0,0|1,0,2]=4 107 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N MCULE-5930779500 [0,1,0,0,0,0|1,0,2]=4 108 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O MCULE-3651545554 [0,1,0,0,0,0|0,0,2]=3 109 B20R0.31940 CCCCCCCCCCCCCCCCCOC(=O)C MCULE-9059316294 [0,1,0,0,0,0|1,0,2]=4 110 B20R0.31940 CCCCCCCCCCCCNCCCCCC(=O)O MCULE-2808072086 [0,1,0,0,0,0|0,0,2]=3 111 B20R0.31940 CCCCCCCNCCCCCCCCCCC(=O)O MCULE-1452338178 [0,1,0,0,0,0|0,0,2]=3 112 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCBr MCULE-1900787768 [0,1,0,0,0,0|0,0,2]=3 113 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO MCULE-7843488730 [0,1,0,0,0,0|0,0,2]=3 114 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCS MCULE-8278921645 [0,1,0,0,0,0|0,0,2]=3 115 B20R0.31968 CCCCCC/C=C\C=C\C(O)CCCCCCC(=O)O MCULE-2411705963 [0,1,0,0,0,0|0,0,2]=3 116 B20R0.32069 CCCCCCCC(O)CCCCCCCCCC(=O)O MCULE-4849469492 [0,1,0,0,0,0|0,0,2]=3 117 B20R0.32990 CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O MCULE-1915937602 [0,1,0,0,0,0|0,0,3]=4 118 B20R0.32990 CCCCCC(=O)C=CC=CCCCCCCCC(=O)O MCULE-7056242351 [0,1,0,0,0,0|0,0,3]=4 119 B20R0.32990 CCCCCC(=O)CCCCCCCCCCCC(=O)O MCULE-7351642049 [0,1,0,0,0,0|0,0,3]=4 120 B20R0.32990 CCCCCC(O)C=CC=CCCCCCCCC(=O)O MCULE-2851843624 [0,1,0,0,0,0|0,0,2]=3 121 B20R0.32990 CCCCCC(O)CCCCCCCCCCCC(=O)O MCULE-1833542033 [0,1,0,0,0,0|0,0,2]=3 122 B20R0.32990 CCCCC[C@@H](O)C=CC=CCCCCCCCC(=O)O MCULE-1362574554 [0,1,0,0,0,0|0,0,2]=3 123 B20R0.32990 CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O MCULE-7853168460 [0,1,0,0,0,0|0,0,2]=3 124 B20R0.32990 CCCCC[C@H](O)C=CC=CCCCCCCCC(=O)O MCULE-6317284446 [0,1,0,0,0,0|0,0,2]=3 125 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)O MCULE-8317997046 [0,1,0,0,0,0|0,0,2]=3 126 B20R1.250 CCCCCCCCCCCCCC1CCCC(=O)O1 MCULE-8092098189 [0,0,0,1,0,0|0,0,2]=3 127 B20R1.3309 CCCCCCCCCCCCCCC1CCC(=O)O1 MCULE-6794732521 [0,0,0,1,0,0|0,0,2]=3 128 B20R1.58016 CCCCCCC1CCCC1CCCCCCC(=O)O MCULE-9548075936 [0,0,0,1,0,0|0,0,2]=3 129 B17R0.43 C#CCCCCC=CCCCCCCCC(=O)O MCULE-1049304823 [2,0,0,0,0,0|0,0,2]=4 130 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O MCULE-4134557983 [2,0,0,0,0,0|0,0,2]=4 131 B17R0.43 C(=C\CCCCCCCC(=O)O)\CCCCCC MCULE-4164601038 [2,0,0,0,0,0|0,0,0]=2 132 B17R0.43 C=C(C)CCCCCCCCCCCCCCC MCULE-5834819134 [2,0,0,0,0,0|2,0,0]=4 133 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O MCULE-8140028401 [2,0,0,0,0,0|0,0,2]=4 134 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O MCULE-1066074154 [2,0,0,0,0,0|0,0,0]=2 135 B17R0.43 CCCCC=CCCCCCCCCOC(=O)C MCULE-7849945627 [2,0,0,0,0,0|2,0,0]=4 136 B17R0.43 CCCCCC/C=C/CCCCCCCC(=O)O MCULE-7392284639 [2,0,0,0,0,0|0,0,0]=2 137 B17R0.43 CCCCCCC=CCCCCCCCC(=O)Cl MCULE-6281700163 [2,0,0,0,0,0|1,0,0]=3 138 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N MCULE-8315425906 [2,0,0,0,0,0|1,0,0]=3 139 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O MCULE-1221038996 [2,0,0,0,0,0|0,0,0]=2 140 B17R0.43 CCCCCCC=CCCCCCCCC(=O)[O-] MCULE-3270578280 [2,0,0,0,0,0|0,0,1]=3 141 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)O MCULE-5806437824 [2,0,0,0,0,0|0,0,2]=4 142 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O MCULE-9907029105 [2,0,0,0,0,0|0,0,2]=4 143 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O MCULE-6678867297 [2,0,0,0,0,0|0,0,2]=4 144 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O MCULE-9949483894 [2,0,0,0,0,0|0,0,2]=4 145 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O MCULE-7063165347 [2,0,0,0,0,0|0,0,2]=4 146 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O MCULE-1309002877 [2,0,0,0,0,0|0,0,2]=4 147 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [2,0,0,0,0,0|1,0,0]=3 148 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [2,0,0,0,0,0|1,0,0]=3 149 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [2,0,0,0,0,0|1,0,0]=3 150 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [2,0,0,0,0,0|0,0,0]=2 151 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [2,0,0,0,0,0|0,1,0]=3 152 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [2,0,0,0,0,0|0,0,1]=3 153 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [2,0,0,0,0,0|0,0,1]=3 154 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [2,0,0,0,0,0|0,0,1]=3 155 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [2,0,0,0,0,0|1,0,1]=4 156 B17R0.43 CCCCCCCCCCCCCCOC(=O)C MCULE-9791397433 [2,0,0,0,0,0|2,0,0]=4 157 B17R0.43 CCCCCCCCCCCCNCCC(=O)O MCULE-6849446767 [2,0,0,0,0,0|1,0,0]=3 158 B17R0.43 CCCCCCCCCCCCSCCC(=O)N MCULE-2326780267 [2,0,0,0,0,0|2,0,0]=4 159 B17R0.43 CCCCCCCCCCCCSCCC(=O)O MCULE-1413456430 [2,0,0,0,0,0|1,0,0]=3 160 B17R0.43 CCCCCCCCSCCCCCCC(=O)O MCULE-3418202255 [2,0,0,0,0,0|1,0,0]=3 161 B17R0.43 NCCCCCCCCCCCCCCC(=O)O MCULE-8397983958 [2,0,0,0,0,0|1,0,0]=3 162 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr MCULE-4704611362 [2,0,0,0,0,0|1,0,0]=3 163 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [2,0,0,0,0,0|1,0,0]=3 164 B17R0.117 C=CCCCCCCCCCCCCCCCC MCULE-2516709852 [2,0,0,0,0,0|1,0,1]=4 165 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [2,0,0,0,0,0|0,0,1]=3 166 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [2,0,0,0,0,0|0,0,2]=4 167 B19R0.35 CCCCCCCCCCCCCCC(O)CC(=O)O MCULE-6684061995 [1,1,0,0,0,0|0,0,1]=3 168 B19R0.59 CCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-4196802493 [1,1,0,0,0,0|0,0,1]=3 169 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC MCULE-2350131012 [1,1,0,0,0,0|0,0,0]=2 170 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC MCULE-4465312774 [1,1,0,0,0,0|0,0,1]=3 171 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr MCULE-1850296129 [1,1,0,0,0,0|1,0,1]=4 172 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO MCULE-5067829702 [1,1,0,0,0,0|1,0,1]=4 173 B19R0.153 CCCCCCCCCCCCSCC[C@H](N)C(=O)O MCULE-8575399975 [1,1,0,0,0,0|1,0,1]=4 174 B19R0.153 CCCCCCCCCCCCSCC[C@H](N)C(=O)O MCULE-8723634142 [1,1,0,0,0,0|1,0,1]=4 175 B19R0.153 [C@@H](N)(COCCCCCCCCCCCCC)C(=O)O MCULE-4708837165 [1,1,0,0,0,0|1,0,1]=4 176 B19R0.153 [C@@H]([NH3+])(COCCCCCCCCCCCCC)C(=O)O MCULE-7338430342 [1,1,0,0,0,0|1,0,1]=4 177 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O MCULE-4598065479 [1,1,0,0,0,0|0,0,1]=3 178 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(O)O MCULE-8035733316 [1,1,0,0,0,0|1,0,1]=4 179 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(=O)O MCULE-4781818208 [1,1,0,0,0,0|0,0,1]=3 180 B19R0.26214 CCCCCCCCCC(=O)CCCCCCC(=O)O MCULE-8979687298 [1,1,0,0,0,0|0,0,2]=4 181 B19R0.26214 CCCCCCCCCC(O)CCCCCCC(=O)O MCULE-2739435890 [1,1,0,0,0,0|0,0,1]=3 182 B19R0.26289 CCCCCCC(=O)CCCCCCCCCC(=O)O MCULE-8472999265 [1,1,0,0,0,0|0,0,0]=2 183 B19R0.26289 CCCCCCC(O)CCCCCCCCCC(=O)O MCULE-3978963802 [1,1,0,0,0,0|0,0,1]=3 184 B21R0.9111 CCCCCCCCC(Br)C(Br)CCCCCCCC(=O)O MCULE-7796523734 [0,2,0,0,0,0|0,0,2]=4 185 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)O MCULE-1344194777 [0,2,0,0,0,0|0,0,2]=4 186 B21R0.10777 CCCCCCCCC(O)CCCCCCCCC(=O)OC MCULE-6562180210 [0,2,0,0,0,0|0,0,2]=4 187 B21R0.36685 CCCCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-9210864288 [0,2,0,0,0,0|0,0,2]=4 188 B21R0.21192 CCCCCCC(=O)CCCCCCCCCCC(=O)OC MCULE-4320259380 [0,2,0,0,0,0|0,0,1]=3 189 B21R0.21192 CCCCCCC(O)CCCCCCCCCCC(=O)OC MCULE-2811244518 [0,2,0,0,0,0|0,0,2]=4 190 B21R0.36393 CCCCCCCCCCCCCCCC(O)CC(=O)OC MCULE-2083506375 [0,2,0,0,0,0|0,0,2]=4 191 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC MCULE-3805960874 [0,2,0,0,0,0|0,0,2]=4 192 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC MCULE-3414589628 [0,2,0,0,0,0|0,0,2]=4 193 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCCl MCULE-5709243578 [0,2,0,0,0,0|0,0,2]=4 194 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCI MCULE-4466117960 [0,2,0,0,0,0|0,0,2]=4 195 B21R0.2973 CCCCCCCCCCCCCCCCC(O)C(=O)OC MCULE-2273695745 [0,2,0,0,0,0|0,0,2]=4 196 B21R0.23597 CCCCC[C@H](O)C=CC=CCCCCCCCC(=O)OC MCULE-3077334129 [0,2,0,0,0,0|0,0,2]=4 197 B21R0.24664 CCC(C)CCCCCCCCCCCCCCC(=O)OC MCULE-5799204590 [0,2,0,0,0,0|0,0,2]=4 198 B21R0.30140 COC(=O)CCCCCCCCCCCCCCCC(C)C MCULE-1150740509 [0,2,0,0,0,0|0,0,2]=4 199 B21R0.36766 CCCCCCCCC=CCCCCCCCCC(=O)OC MCULE-7270276060 [0,2,0,0,0,0|0,0,2]=4 200 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC MCULE-3350746374 [0,2,0,0,0,0|0,0,2]=4 201 B21R0.9296 CCCCCCCCCCCCCCCCC(CC)C(=O)O MCULE-6534484335 [0,2,0,0,0,0|0,0,2]=4 202 B21R0.31992 CCCCCC=CC=CC(CCCCCCCC(=O)O)OO MCULE-1406992912 [0,2,0,0,0,0|0,0,2]=4 203 B21R0.31992 CCCCCC=CC=C[C@H](CCCCCCCC(=O)O)OO MCULE-4940929417 [0,2,0,0,0,0|0,0,2]=4 204 B21R0.81 CCC=CCC=CCC=CCCCCCCCCCC(=O)O MCULE-3727829701 [0,2,0,0,0,0|0,0,2]=4 205 B21R0.81 CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)O MCULE-9405390567 [0,2,0,0,0,0|0,0,0]=2 206 B21R0.81 CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O MCULE-9285750550 [0,2,0,0,0,0|0,0,2]=4 207 B21R0.81 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O MCULE-1395973661 [0,2,0,0,0,0|0,0,0]=2 208 B21R0.81 CCCCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-5077473579 [0,2,0,0,0,0|0,0,0]=2 209 B21R0.81 CCCCCC=CCC=CCC=CCCCCCCC(=O)O MCULE-2409906951 [0,2,0,0,0,0|0,0,2]=4 210 B21R0.81 CCCCCC=CCC=CCCCCC=CCCCC(=O)O MCULE-3559034612 [0,2,0,0,0,0|0,0,2]=4 211 B21R0.81 CCCCCC=CCC=CCCCCCCCCCC(=O)O MCULE-3918440694 [0,2,0,0,0,0|0,0,0]=2 212 B21R0.81 CCCCCC=CCCCCC=CCCCCCCC(=O)O MCULE-4531863767 [0,2,0,0,0,0|0,0,2]=4 213 B21R0.81 CCCCCC=CCCCCCCCC=CCCCC(=O)O MCULE-6282948904 [0,2,0,0,0,0|0,0,2]=4 214 B21R0.81 CCCCCC=CCCCCCCCCCCCCC(=O)O MCULE-3376654817 [0,2,0,0,0,0|0,0,2]=4 215 B21R0.81 CCCCCCC=CCCCCCCCCCCCC(=O)O MCULE-9376142288 [0,2,0,0,0,0|0,0,0]=2 216 B21R0.81 CCCCCCC=CCCCCCCCCCCOC(=O)C MCULE-9811457552 [0,2,0,0,0,0|1,0,0]=3 217 B21R0.81 CCCCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-1798812588 [0,2,0,0,0,0|0,0,0]=2 218 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)N MCULE-2886059366 [0,2,0,0,0,0|1,0,0]=3 219 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)O MCULE-5167912454 [0,2,0,0,0,0|0,0,0]=2 220 B21R0.81 CCCCCCCCC=CCCCCCCCCOC(=O)C MCULE-7933091917 [0,2,0,0,0,0|2,0,0]=4 221 B21R0.81 CCCCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-8696271470 [0,2,0,0,0,0|0,0,2]=4 222 B21R0.81 CCCCCCCCCCC=CCCCCCCCC(=O)O MCULE-1716285800 [0,2,0,0,0,0|0,0,2]=4 223 B21R0.81 CCCCCCCCCCCC=CCCCCCCC(=O)O MCULE-1737820111 [0,2,0,0,0,0|0,0,2]=4 224 B21R0.81 CCCCCCCCCCCCCCC=CCCCC(=O)O MCULE-6785318094 [0,2,0,0,0,0|0,0,2]=4 225 B21R0.81 CCCCCCCCCCCCCCCCCC=CC(=O)O MCULE-9297237540 [0,2,0,0,0,0|0,0,2]=4 226 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O MCULE-2888473872 [0,2,0,0,0,0|0,0,2]=4 227 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCBr MCULE-3663484390 [0,2,0,0,0,0|0,0,2]=4 228 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCO MCULE-7315062903 [0,2,0,0,0,0|0,0,2]=4 229 B21R0.81 O=C(O)CCCCCOCCCCCOCCCCCCCl MCULE-3717188596 [0,2,0,0,0,0|1,0,1]=4 230 B21R0.9014 CC(C)CCCCCCCCCCCCCCCCC(=O)O MCULE-6203958880 [0,2,0,0,0,0|0,0,2]=4 231 B21R0.9287 CCCCCCCCC(=O)NCCCCCCCCC(=O)O MCULE-5803230685 [0,2,0,0,0,0|1,0,1]=4 232 B21R0.36906 CCCCCC(C=CC=CCCCCCCCC(=O)O)OO MCULE-5569880418 [0,2,0,0,0,0|0,0,2]=4 233 B21R0.36906 CCCCC[C@@H](C=CC=CCCCCCCCC(=O)O)OO MCULE-5279806440 [0,2,0,0,0,0|0,0,2]=4 234 B19R1.274 [C@@H]1(CCC(=O)O1)CCCCCCCCCCCCC MCULE-7211376504 [1,0,0,1,0,0|0,0,1]=3 235 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 MCULE-3888851261 [1,0,0,1,0,0|0,0,1]=3 236 B19R1.46541 CCCCCCC1CC1CCCCCCCC(=O)O MCULE-2189450865 [1,0,0,1,0,0|0,0,1]=3 237 B19R1.46528 CCCCCCCCCCCCCCC1CCC1=O MCULE-9877242647 [1,0,0,1,0,0|0,0,2]=4 238 B21R1.17805 CCCCCCCCC1=C(C1)CCCCCCCC(=O)O MCULE-5750300123 [0,1,0,1,0,0|0,0,2]=4 239 B21R1.17805 CCCCCCCCC1CC1CCCCCCCC(=O)O MCULE-6976268565 [0,1,0,1,0,0|0,0,2]=4 240 B21R1.17805 CCCCCCCCC1OC1CCCCCCCC(=O)O MCULE-5420058418 [0,1,0,1,0,0|0,0,2]=4 241 B21R1.17805 CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)O MCULE-8871810161 [0,1,0,1,0,0|0,0,2]=4 242 B21R1.17805 CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O MCULE-6683247888 [0,1,0,1,0,0|0,0,2]=4 243 B21R1.17805 CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)O MCULE-7350450267 [0,1,0,1,0,0|0,0,2]=4 244 B21R1.17805 CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)O MCULE-8569078311 [0,1,0,1,0,0|0,0,2]=4 245 B21R1.76346 CCCCCC1=CC=C(O1)CCCCCCCCC(=O)O MCULE-7546640228 [0,1,0,1,0,0|0,0,2]=4 246 B21R1.988145 CCCCCCC1CC1CCCCCCCCCC(=O)O MCULE-9526160011 [0,1,0,1,0,0|0,0,2]=4 247 B21R1.290332 CCCCCCC1CCC(C1CCCCCCC(=O)O)O MCULE-8367548595 [0,1,0,1,0,0|0,0,2]=4