0 B19R0.149 C#CCCCCCCC=CCCCCCCCC(=O)O MCULE-1916928955 [0,0,0,0,0,0|0,0,4]=4 1 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O MCULE-7083652608 [0,0,0,0,0,0|0,0,2]=2 2 B19R0.149 CCCC/C=C/CCCCCCCCCCOC(=O)C MCULE-7132792075 [0,0,0,0,0,0|2,0,2]=4 3 B19R0.149 CCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-1460805964 [0,0,0,0,0,0|0,0,2]=2 4 B19R0.149 CCCC/C=C\CCCCCCCCCCOC(=O)C MCULE-2071044356 [0,0,0,0,0,0|2,0,2]=4 5 B19R0.149 CCCCC/C=C/C/C=C/CCCCCCCC(=O)O MCULE-9671518710 [0,0,0,0,0,0|0,0,4]=4 6 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O MCULE-1893075589 [0,0,0,0,0,0|0,0,4]=4 7 B19R0.149 CCCCC/C=C\C=C\CCCCCCCCC(=O)O MCULE-3950099456 [0,0,0,0,0,0|0,0,4]=4 8 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O MCULE-2741584353 [0,0,0,0,0,0|0,0,2]=2 9 B19R0.149 CCCCC=CCCCCCCCCCCOC(=O)C MCULE-3596150007 [0,0,0,0,0,0|2,0,2]=4 10 B19R0.149 CCCCCC#CCC#CCCCCCCCC(=O)O MCULE-3102005270 [0,0,0,0,0,0|0,0,4]=4 11 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)O MCULE-7560777471 [0,0,0,0,0,0|0,0,4]=4 12 B19R0.149 CCCCCC/C=C/CCCCCCCCCC(=O)O MCULE-6829224594 [0,0,0,0,0,0|0,0,2]=2 13 B19R0.149 CCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-4733251398 [0,0,0,0,0,0|0,0,2]=2 14 B19R0.149 CCCCCC=CC=CCCCCCCCCC(=O)O MCULE-9350642069 [0,0,0,0,0,0|0,0,4]=4 15 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O MCULE-4653646367 [0,0,0,0,0,0|0,0,4]=4 16 B19R0.149 CCCCCCC=CC#CCCCCCCCC(=O)O MCULE-2923525160 [0,0,0,0,0,0|0,0,4]=4 17 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O MCULE-7336256238 [0,0,0,0,0,0|0,0,4]=4 18 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)Cl MCULE-2900877236 [0,0,0,0,0,0|1,0,2]=3 19 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)O MCULE-1673564563 [0,0,0,0,0,0|0,0,2]=2 20 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)N MCULE-5519396278 [0,0,0,0,0,0|1,0,2]=3 21 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [0,0,0,0,0,0|0,0,2]=2 22 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)Cl MCULE-5061148760 [0,0,0,0,0,0|1,0,2]=3 23 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)N MCULE-1236789578 [0,0,0,0,0,0|1,0,2]=3 24 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [0,0,0,0,0,0|0,0,2]=2 25 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-1498747483 [0,0,0,0,0,0|0,0,3]=3 26 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-4937469311 [0,0,0,0,0,0|0,0,3]=3 27 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O MCULE-9461095927 [0,0,0,0,0,0|0,0,2]=2 28 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O MCULE-1324819009 [0,0,0,0,0,0|0,0,2]=2 29 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl MCULE-5110239318 [0,0,0,0,0,0|1,0,2]=3 30 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N MCULE-2101563329 [0,0,0,0,0,0|1,0,2]=3 31 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [0,0,0,0,0,0|0,0,2]=2 32 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-2893862044 [0,0,0,0,0,0|0,0,3]=3 33 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-4188975486 [0,0,0,0,0,0|0,0,3]=3 34 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O MCULE-8183826174 [0,0,0,0,0,0|0,0,2]=2 35 B19R0.149 CCCCCCCCCCC/C=C\CCCCC(=O)O MCULE-7468359720 [0,0,0,0,0,0|0,0,2]=2 36 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O MCULE-8691030137 [0,0,0,0,0,0|0,0,2]=2 37 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)[O-] MCULE-3460585882 [0,0,0,0,0,0|0,0,3]=3 38 B19R0.149 CCCCCCCCCCCCC/C=C/C=C/C(=O)O MCULE-3944191116 [0,0,0,0,0,0|0,0,4]=4 39 B19R0.149 CCCCCCCCCCCCCC=CC=CC(=O)O MCULE-8210047818 [0,0,0,0,0,0|0,0,4]=4 40 B19R0.149 CCCCCCCCCCCCCCCC=CC(=O)O MCULE-1870065641 [0,0,0,0,0,0|0,0,2]=2 41 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [0,0,0,0,0,0|1,0,0]=1 42 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl MCULE-2308152010 [0,0,0,0,0,0|1,0,0]=1 43 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)F MCULE-2181448420 [0,0,0,0,0,0|1,0,0]=1 44 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [0,0,0,0,0,0|1,0,0]=1 45 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [0,0,0,0,0,0|0,0,0]=0 46 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-2987899692 [0,0,0,0,0,0|0,0,1]=1 47 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-3875570730 [0,0,0,0,0,0|0,0,1]=1 48 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6249269089 [0,0,0,0,0,0|0,0,1]=1 49 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-6599303223 [0,0,0,0,0,0|0,0,1]=1 50 B19R0.149 CCCCCCCCCCCCCCCCCC(C)N MCULE-5176481050 [0,0,0,0,0,0|2,0,1]=3 51 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)C MCULE-6531755891 [0,0,0,0,0,0|2,0,0]=2 52 B19R0.149 CCCCCCCCCCCCCCCCNC(=O)N MCULE-8393504195 [0,0,0,0,0,0|2,0,0]=2 53 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C MCULE-2014547712 [0,0,0,0,0,0|3,0,1]=4 54 B19R0.149 CCCCCCCCCCCCCCCCNC(C)C MCULE-4238475982 [0,0,0,0,0,0|3,0,1]=4 55 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C MCULE-2100485792 [0,0,0,0,0,0|2,0,0]=2 56 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl MCULE-4015597321 [0,0,0,0,0,0|2,0,0]=2 57 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] MCULE-9510391507 [0,0,0,0,0,0|2,0,1]=3 58 B19R0.149 CCCCCCCCCCCCCCCCOP(=O)[O-] MCULE-9626584037 [0,0,0,0,0,0|2,0,1]=3 59 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O MCULE-8180884322 [0,0,0,0,0,0|1,0,0]=1 60 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [0,0,0,0,0,0|1,0,0]=1 61 B19R0.149 CCCCCCOCCOCCOCCOCC(=O)O MCULE-2082970492 [0,0,0,0,0,0|4,0,0]=4 62 B19R0.149 N#N=NCCCCCCCCCCCCCCC(=O)O MCULE-9378247375 [0,0,0,0,0,0|3,0,0]=3 63 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr MCULE-8185924357 [0,0,0,0,0,0|1,0,0]=1 64 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO MCULE-6787345030 [0,0,0,0,0,0|1,0,0]=1 65 B18R0.176 C=C(C)CCCCCCCCCCCCCCCC MCULE-1892085325 [1,0,0,0,0,0|2,0,0]=3 66 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O MCULE-9537148876 [1,0,0,0,0,0|0,0,2]=3 67 B18R0.176 CCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7425245696 [1,0,0,0,0,0|0,0,2]=3 68 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O MCULE-8054022250 [1,0,0,0,0,0|0,0,2]=3 69 B18R0.176 CCCCCCCCCCCCCCCCB(O)O MCULE-2099476935 [1,0,0,0,0,0|1,0,1]=3 70 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [1,0,0,0,0,0|1,0,0]=2 71 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [1,0,0,0,0,0|1,0,0]=2 72 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [1,0,0,0,0,0|0,0,0]=1 73 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [1,0,0,0,0,0|0,0,1]=2 74 B18R0.176 CCCCCCCCCCCCCCCCN(=O)=O MCULE-7589734060 [1,0,0,0,0,0|1,0,1]=3 75 B18R0.176 CCCCCCCCCCCCCCCCN(C)C MCULE-2205932096 [1,0,0,0,0,0|3,0,0]=4 76 B18R0.176 CCCCCCCCCCCCCCCCN(C)C MCULE-5534646497 [1,0,0,0,0,0|3,0,0]=4 77 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C MCULE-8455635595 [1,0,0,0,0,0|2,0,0]=3 78 B18R0.176 CCCCCCCCCCCCCCNCC(C)O MCULE-3623779879 [1,0,0,0,0,0|2,0,1]=4 79 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [1,0,0,0,0,0|1,0,0]=2 80 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [1,0,0,0,0,0|1,0,0]=2 81 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [1,0,0,0,0,0|1,0,0]=2 82 B18R0.176 CCCCCCCCCCCCSCCCC(=O)N MCULE-1673663174 [1,0,0,0,0,0|2,0,0]=3 83 B18R0.176 N#N=NCCCCCCCCCCCCCC(=O)O MCULE-3818253579 [1,0,0,0,0,0|3,0,0]=4 84 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [1,0,0,0,0,0|1,0,0]=2 85 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [1,0,0,0,0,0|1,0,0]=2 86 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [1,0,0,0,0,0|1,0,0]=2 87 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [1,0,0,0,0,0|1,0,0]=2 88 B18R0.221 C#CSCCCCCCCCCCCCCCCC MCULE-9204018409 [1,0,0,0,0,0|2,0,1]=4 89 B18R0.221 C=CCCCCCCCCCCCCCCCCBr MCULE-5254809366 [1,0,0,0,0,0|2,0,0]=3 90 B18R0.221 C=CCCCCCCCCCCCCCCCCC MCULE-9065008280 [1,0,0,0,0,0|1,0,0]=2 91 B18R0.221 C=COCCCCCCCCCCCCCCCC MCULE-8067527635 [1,0,0,0,0,0|2,0,0]=3 92 B18R0.221 CCCCCCCC/C=C\CCCCCCCC=O MCULE-3882347276 [1,0,0,0,0,0|0,0,2]=3 93 B18R0.221 CCCCCCCC/C=C\CCCCCCCCO MCULE-1321155051 [1,0,0,0,0,0|0,0,3]=4 94 B18R0.221 CCCCCCCCC=CCCCCCCCC=O MCULE-6432973422 [1,0,0,0,0,0|0,0,2]=3 95 B18R0.221 CCCCCCCCC=CCCCCCCCCO MCULE-7776107404 [1,0,0,0,0,0|0,0,3]=4 96 B18R0.221 CCCCCCCCCCCC=CCCCCCO MCULE-1709012868 [1,0,0,0,0,0|0,0,3]=4 97 B18R0.221 CCCCCCCCCCCCCCCC#CCO MCULE-9312932131 [1,0,0,0,0,0|0,0,3]=4 98 B18R0.221 CCCCCCCCCCCCCCCCC#CBr MCULE-3304703107 [1,0,0,0,0,0|1,0,2]=4 99 B18R0.221 CCCCCCCCCCCCCCCCCC#N MCULE-4866596225 [1,0,0,0,0,0|1,0,1]=3 100 B18R0.221 CCCCCCCCCCCCCCCCCC=O MCULE-6723633168 [1,0,0,0,0,0|0,0,0]=1 101 B18R0.221 CCCCCCCCCCCCCCCCCCBr MCULE-1698743735 [1,0,0,0,0,0|1,0,1]=3 102 B18R0.221 CCCCCCCCCCCCCCCCCCC MCULE-7331201096 [1,0,0,0,0,0|1,0,1]=3 103 B18R0.221 CCCCCCCCCCCCCCCCCCCl MCULE-7660459113 [1,0,0,0,0,0|1,0,1]=3 104 B18R0.221 CCCCCCCCCCCCCCCCCCI MCULE-7219587354 [1,0,0,0,0,0|1,0,1]=3 105 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-1071635443 [1,0,0,0,0,0|1,0,1]=3 106 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-4763148758 [1,0,0,0,0,0|1,0,1]=3 107 B18R0.221 CCCCCCCCCCCCCCCCCCN MCULE-6780490435 [1,0,0,0,0,0|1,0,1]=3 108 B18R0.221 CCCCCCCCCCCCCCCCCCO MCULE-4390437415 [1,0,0,0,0,0|0,0,1]=2 109 B18R0.221 CCCCCCCCCCCCCCCCCCS MCULE-1398131164 [1,0,0,0,0,0|0,1,1]=3 110 B18R0.221 CCCCCCCCCCCCCCCCN=C=O MCULE-7368492153 [1,0,0,0,0,0|1,0,1]=3 111 B18R0.221 CCCCCCCCCCCCCCCCN=C=S MCULE-3959359359 [1,0,0,0,0,0|1,1,1]=4 112 B18R0.221 CCCCCCCCCCCCCCCCN=N#N MCULE-4281150534 [1,0,0,0,0,0|3,0,0]=4 113 B18R0.221 CCCCCCCCCCCCCCCCSCC MCULE-6430570072 [1,0,0,0,0,0|2,0,1]=4 114 B18R0.221 CCCCCCCCCCCCCCNCCCO MCULE-5168079887 [1,0,0,0,0,0|1,0,1]=3 115 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-2480939287 [1,0,0,0,0,0|2,0,1]=4 116 B18R0.221 CCCCCCCCCCCCCC[NH2+]CCCC MCULE-5858293059 [1,0,0,0,0,0|2,0,1]=4 117 B18R0.221 CCCCCCCCCCCCOCCOCCO MCULE-7043512916 [1,0,0,0,0,0|2,0,1]=4 118 B18R0.221 CCCCCCCCCCCCSCCOCCO MCULE-5914963385 [1,0,0,0,0,0|2,0,1]=4 119 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2182455098 [1,0,0,0,0,0|2,0,1]=4 120 B18R0.221 CCCCCCCCCNCCCCCCCCC MCULE-2737303457 [1,0,0,0,0,0|2,0,1]=4 121 B18R0.221 CCCCCCCCCSCCCCCCCCC MCULE-4540816041 [1,0,0,0,0,0|2,0,1]=4 122 B18R0.221 OCCCCCCCCCCCCCCCCCO MCULE-8245676043 [1,0,0,0,0,0|1,0,1]=3 123 B20R0.68 CCCCC/C=C\CC(=O)CCCCCCCCC(=O)O MCULE-3623822962 [0,1,0,0,0,0|0,0,3]=4 124 B20R0.68 CCCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-8826251310 [0,1,0,0,0,0|0,0,1]=2 125 B20R0.68 CCCCCCCCC(O)CCCCCCCCC(=O)O MCULE-8431505935 [0,1,0,0,0,0|0,0,0]=1 126 B20R0.68 CCCCCCCC[C@H](O)/C=C/CCCCCCC(=O)O MCULE-2811502976 [0,1,0,0,0,0|0,0,2]=3 127 B20R0.68 CCCCCCCC[C@H](O)C=CCCCCCCC(=O)O MCULE-1316608323 [0,1,0,0,0,0|0,0,2]=3 128 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(=O)O MCULE-1566577041 [0,1,0,0,0,0|0,0,1]=2 129 B20R0.90 CCCCCCC(O)CC=CCCCCCCCC(=O)O MCULE-9156595873 [0,1,0,0,0,0|0,0,2]=3 130 B20R0.90 CCCCCCC(O)CC=CCCCCCCCC(=O)[O-] MCULE-5146180349 [0,1,0,0,0,0|0,0,3]=4 131 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O MCULE-9965131742 [0,1,0,0,0,0|0,0,0]=1 132 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] MCULE-3302391414 [0,1,0,0,0,0|0,0,1]=2 133 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] MCULE-5748846792 [0,1,0,0,0,0|0,0,1]=2 134 B20R0.90 CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O MCULE-8991093142 [0,1,0,0,0,0|0,0,2]=3 135 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-9036760572 [0,1,0,0,0,0|0,0,2]=3 136 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-9159266494 [0,1,0,0,0,0|0,0,2]=3 137 B20R0.90 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)[O-] MCULE-5859199839 [0,1,0,0,0,0|0,0,3]=4 138 B20R0.138 CCCCCCCCCCCCCC(=O)NCCC(=O)O MCULE-9398452013 [0,1,0,0,0,0|1,0,1]=3 139 B20R0.138 CCCCCCCCCCCCCC(=O)NCCC(=O)[O-] MCULE-3164538914 [0,1,0,0,0,0|1,0,2]=4 140 B20R0.138 CCCCCCCCCCCCNC(=O)CCCC(=O)O MCULE-5107188958 [0,1,0,0,0,0|1,0,1]=3 141 B20R0.138 CCCCCCCCCCCCSC(=S)SCCC(=O)O MCULE-8501911702 [0,1,0,0,0,0|2,0,1]=4 142 B20R0.2931 CCCCCCCCCCCCCCCC(=O)CC(=O)O MCULE-8568594657 [0,1,0,0,0,0|0,0,1]=2 143 B20R0.2931 CCCCCCCCCCCCCCCC(C)CC(=O)O MCULE-5539838856 [0,1,0,0,0,0|0,0,0]=1 144 B20R0.2931 CCCCCCCCCCCCCCCC(O)CC(=O)O MCULE-4092969179 [0,1,0,0,0,0|0,0,0]=1 145 B20R0.2931 CCCCCCCCCCCCCCOC(=O)CC(=O)C MCULE-1362409325 [0,1,0,0,0,0|2,0,1]=4 146 B20R0.3034 C=CC(=O)OCCCCCCCCCCCCCCCC MCULE-1550487656 [0,1,0,0,0,0|2,0,0]=3 147 B20R0.3034 CCCCCC=CCCCCCCCCCCC(=O)OC MCULE-7096013768 [0,1,0,0,0,0|0,0,2]=3 148 B20R0.3034 CCCCCCC=CCCCCCCCCCC(=O)OC MCULE-2695096983 [0,1,0,0,0,0|0,0,2]=3 149 B20R0.3034 CCCCCCCC/C=C/CCCCCCCC(=O)OC MCULE-6969329015 [0,1,0,0,0,0|0,0,2]=3 150 B20R0.3034 CCCCCCCC/C=C\CCCCCCCC(=O)OC MCULE-4995415924 [0,1,0,0,0,0|0,0,2]=3 151 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)NO MCULE-4738313374 [0,1,0,0,0,0|0,0,2]=3 152 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC MCULE-8140747078 [0,1,0,0,0,0|0,0,2]=3 153 B20R0.3034 CCCCCCCCCCC/C=C/CCCCC(=O)OC MCULE-7625263550 [0,1,0,0,0,0|0,0,2]=3 154 B20R0.3034 CCCCCCCCCCCC=CCCCCC(=O)OC MCULE-7336595239 [0,1,0,0,0,0|0,0,2]=3 155 B20R0.3034 CCCCCCCCCCCCCCCC=CC(=O)OC MCULE-9432648440 [0,1,0,0,0,0|0,0,2]=3 156 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC MCULE-5204951477 [0,1,0,0,0,0|1,0,0]=2 157 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NN MCULE-7304182763 [0,1,0,0,0,0|1,0,0]=2 158 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC MCULE-4040350805 [0,1,0,0,0,0|0,0,0]=1 159 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CBr MCULE-7521933233 [0,1,0,0,0,0|2,0,0]=3 160 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CCl MCULE-5931265179 [0,1,0,0,0,0|2,0,0]=3 161 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CC MCULE-9277107250 [0,1,0,0,0,0|2,0,0]=3 162 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CCl MCULE-6893410852 [0,1,0,0,0,0|2,0,0]=3 163 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO MCULE-1486220691 [0,1,0,0,0,0|1,0,0]=2 164 B20R0.3037 CCCCCCCC/C=C/CCCCCCC(O)C(=O)O MCULE-6297531356 [0,1,0,0,0,0|0,0,2]=3 165 B20R0.3037 CCCCCCCC/C=C\CCCCCCC(O)C(=O)O MCULE-6413909495 [0,1,0,0,0,0|0,0,2]=3 166 B20R0.3037 CCCCCCCC/C=C\CCCCCCC(O)C(=O)[O-] MCULE-1818161232 [0,1,0,0,0,0|0,0,3]=4 167 B20R0.3037 CCCCCCCCC=CCCCCCCC(O)C(=O)O MCULE-1012353675 [0,1,0,0,0,0|0,0,2]=3 168 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O MCULE-2391452296 [0,1,0,0,0,0|0,0,0]=1 169 B20R0.3037 CCCCCCCCCCCCCCCCC(C)C(=O)Cl MCULE-5415927928 [0,1,0,0,0,0|1,0,0]=2 170 B20R0.3037 CCCCCCCCCCCCCCCCC(C)C(=O)O MCULE-9187669622 [0,1,0,0,0,0|0,0,0]=1 171 B20R0.3037 CCCCCCCCCCCCCCCCC(Cl)C(=O)O MCULE-5489236535 [0,1,0,0,0,0|0,0,0]=1 172 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(=O)O MCULE-2412559497 [0,1,0,0,0,0|0,0,0]=1 173 B20R0.10422 CCCCCCCCCCCC(=O)CCCCCC(=O)O MCULE-7546735332 [0,1,0,0,0,0|0,0,1]=2 174 B20R0.17440 CCCCCCCCCC(=O)CCCCCCCC(=O)O MCULE-9953422548 [0,1,0,0,0,0|0,0,1]=2 175 B20R0.17440 CCCCCCCCCC(O)CCCCCCCC(=O)O MCULE-4076526032 [0,1,0,0,0,0|0,0,0]=1 176 B20R0.22238 CCCCCCCCCCCCC(O)/C=C/CCC(=O)O MCULE-2021957290 [0,1,0,0,0,0|0,0,2]=3 177 B20R0.22238 CCCCCCCCCCCCC(O)CCCCC(=O)O MCULE-1743910978 [0,1,0,0,0,0|0,0,0]=1 178 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)C MCULE-4864635707 [0,1,0,0,0,0|1,0,0]=2 179 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)O MCULE-2714583803 [0,1,0,0,0,0|0,0,0]=1 180 B20R0.26099 COC(=O)CCCCCCCCCCCCCCC(=O)O MCULE-3930832156 [0,1,0,0,0,0|1,0,1]=3 181 B20R0.31940 CCCCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7761893081 [0,1,0,0,0,0|0,0,1]=2 182 B20R0.31940 CCCCCCCCC=CCCCCCCCCC(=O)O MCULE-7486728155 [0,1,0,0,0,0|0,0,1]=2 183 B20R0.31940 CCCCCCCCCCCCCCC#CC#CC(=O)O MCULE-7550706698 [0,1,0,0,0,0|0,0,3]=4 184 B20R0.31940 CCCCCCCCCCCCCCCCCCB(O)O MCULE-4425312913 [0,1,0,0,0,0|1,0,1]=3 185 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)C MCULE-6612200716 [0,1,0,0,0,0|1,0,0]=2 186 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)Cl MCULE-8687950753 [0,1,0,0,0,0|1,0,0]=2 187 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)N MCULE-5930779500 [0,1,0,0,0,0|1,0,0]=2 188 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O MCULE-3651545554 [0,1,0,0,0,0|0,0,0]=1 189 B20R0.31940 CCCCCCCCCCCCCCCCCCN(=O)=O MCULE-9592584788 [0,1,0,0,0,0|1,0,1]=3 190 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C MCULE-4319530167 [0,1,0,0,0,0|3,0,0]=4 191 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C MCULE-5200671605 [0,1,0,0,0,0|3,0,0]=4 192 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C MCULE-9874389731 [0,1,0,0,0,0|3,0,0]=4 193 B20R0.31940 CCCCCCCCCCCCCCCCCOC(=O)C MCULE-9059316294 [0,1,0,0,0,0|1,0,0]=2 194 B20R0.31940 CCCCCCCCCCCCCCCCNCC(C)O MCULE-7139978545 [0,1,0,0,0,0|1,0,1]=3 195 B20R0.31940 CCCCCCCCCCCCNCCCCCC(=O)O MCULE-2808072086 [0,1,0,0,0,0|0,0,0]=1 196 B20R0.31940 CCCCCCCNCCCCCCCCCCC(=O)O MCULE-1452338178 [0,1,0,0,0,0|0,0,0]=1 197 B20R0.31940 N#N=NCCCCCCCCCCCCCCCC(=O)O MCULE-3150834565 [0,1,0,0,0,0|2,0,0]=3 198 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCBr MCULE-1900787768 [0,1,0,0,0,0|0,0,0]=1 199 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO MCULE-7843488730 [0,1,0,0,0,0|0,0,0]=1 200 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCS MCULE-8278921645 [0,1,0,0,0,0|0,0,0]=1 201 B20R0.32069 CCCCCCCC(O)/C=C/CCCCCCCC(=O)O MCULE-7928736271 [0,1,0,0,0,0|0,0,2]=3 202 B20R0.32069 CCCCCCCC(O)CCCCCCCCCC(=O)O MCULE-4849469492 [0,1,0,0,0,0|0,0,0]=1 203 B20R0.32509 CCCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-6276478272 [0,1,0,0,0,0|3,0,0]=4 204 B20R0.32509 CCCCCCCCCCCCCCCCC[N+](C)(C)C MCULE-8228526228 [0,1,0,0,0,0|3,0,0]=4 205 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)(O)O MCULE-1298294906 [0,1,0,0,0,0|2,0,0]=3 206 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])O MCULE-1694896141 [0,1,0,0,0,0|2,0,0]=3 207 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)([O-])[O-] MCULE-4471014958 [0,1,0,0,0,0|2,0,1]=4 208 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-1058631183 [0,1,0,0,0,0|2,0,1]=4 209 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-4471067550 [0,1,0,0,0,0|2,0,1]=4 210 B20R0.32990 CCCCCC(=O)CCCCCCCCCCCC(=O)O MCULE-7351642049 [0,1,0,0,0,0|0,0,1]=2 211 B20R0.32990 CCCCCC(O)CCCCCCCCCCCC(=O)O MCULE-1833542033 [0,1,0,0,0,0|0,0,0]=1 212 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)O MCULE-8317997046 [0,1,0,0,0,0|0,0,0]=1 213 B20R0.35227 O=C(O)CCCCCCCCCCCCCCCC(=O)O MCULE-6010456842 [0,1,0,0,0,0|1,0,1]=3 214 B20R1.250 CCCCCCCCCCCCCC1CCCC(=O)O1 MCULE-8092098189 [0,0,0,1,0,0|0,0,0]=1 215 B20R1.3309 CCCCCCCCCCCCCCC1CCC(=O)O1 MCULE-6794732521 [0,0,0,1,0,0|0,0,0]=1 216 B20R1.30779 O=C(O)COCCCCCCCCOC1CCCCO1 MCULE-7898215279 [0,0,0,1,0,0|3,0,0]=4 217 B20R1.31096 O=C(O)CCCCCCCCCCCC[C@@H]1C=CCC1 MCULE-2611969931 [0,0,0,1,0,0|0,0,2]=3 218 B20R1.58016 CCCCCCC1CCCC1CCCCCCC(=O)O MCULE-9548075936 [0,0,0,1,0,0|0,0,0]=1 219 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O MCULE-4134557983 [2,0,0,0,0,0|0,0,2]=4 220 B17R0.43 C(=C\CCCCCCCC(=O)O)\CCCCCC MCULE-4164601038 [2,0,0,0,0,0|0,0,2]=4 221 B17R0.43 C=C(C)CCCCCCCCCCCCCCC MCULE-5834819134 [2,0,0,0,0,0|2,0,0]=4 222 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O MCULE-8140028401 [2,0,0,0,0,0|0,0,2]=4 223 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O MCULE-1066074154 [2,0,0,0,0,0|0,0,2]=4 224 B17R0.43 CCCCCC/C=C/CCCCCCCC(=O)O MCULE-7392284639 [2,0,0,0,0,0|0,0,2]=4 225 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O MCULE-1221038996 [2,0,0,0,0,0|0,0,2]=4 226 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)O MCULE-5806437824 [2,0,0,0,0,0|0,0,2]=4 227 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O MCULE-9907029105 [2,0,0,0,0,0|0,0,2]=4 228 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O MCULE-6678867297 [2,0,0,0,0,0|0,0,2]=4 229 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O MCULE-9949483894 [2,0,0,0,0,0|0,0,2]=4 230 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O MCULE-7063165347 [2,0,0,0,0,0|0,0,2]=4 231 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O MCULE-1309002877 [2,0,0,0,0,0|0,0,2]=4 232 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [2,0,0,0,0,0|1,0,0]=3 233 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [2,0,0,0,0,0|1,0,0]=3 234 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [2,0,0,0,0,0|1,0,0]=3 235 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [2,0,0,0,0,0|0,0,0]=2 236 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [2,0,0,0,0,0|0,1,0]=3 237 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [2,0,0,0,0,0|0,0,1]=3 238 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [2,0,0,0,0,0|0,0,1]=3 239 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [2,0,0,0,0,0|0,0,1]=3 240 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [2,0,0,0,0,0|1,0,1]=4 241 B17R0.43 CCCCCCCCCCCCCCOC(=O)C MCULE-9791397433 [2,0,0,0,0,0|2,0,0]=4 242 B17R0.43 CCCCCCCCCCCCNCCC(=O)O MCULE-6849446767 [2,0,0,0,0,0|1,0,0]=3 243 B17R0.43 CCCCCCCCCCCCSCCC(=O)N MCULE-2326780267 [2,0,0,0,0,0|2,0,0]=4 244 B17R0.43 CCCCCCCCCCCCSCCC(=O)O MCULE-1413456430 [2,0,0,0,0,0|1,0,0]=3 245 B17R0.43 CCCCCCCCSCCCCCCC(=O)O MCULE-3418202255 [2,0,0,0,0,0|1,0,0]=3 246 B17R0.43 NCCCCCCCCCCCCCCC(=O)O MCULE-8397983958 [2,0,0,0,0,0|1,0,0]=3 247 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr MCULE-4704611362 [2,0,0,0,0,0|1,0,0]=3 248 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [2,0,0,0,0,0|1,0,0]=3 249 B17R0.117 BrCCCCCCCCCCCCCCCCBr MCULE-1772004339 [2,0,0,0,0,0|2,0,0]=4 250 B17R0.117 C#CCCCCCCCCCCCCCCCC MCULE-5076637744 [2,0,0,0,0,0|0,0,2]=4 251 B17R0.117 C=CCCCCCCCCCCCCCCCBr MCULE-9221401419 [2,0,0,0,0,0|1,0,1]=4 252 B17R0.117 C=CCCCCCCCCCCCCCCCC MCULE-2516709852 [2,0,0,0,0,0|0,0,1]=3 253 B17R0.117 CCCCCCCCCCCCCCCCC#N MCULE-6977232864 [2,0,0,0,0,0|1,0,1]=4 254 B17R0.117 CCCCCCCCCCCCCCCCC=O MCULE-7209784895 [2,0,0,0,0,0|0,0,0]=2 255 B17R0.117 CCCCCCCCCCCCCCCCCBr MCULE-6281216518 [2,0,0,0,0,0|1,0,0]=3 256 B17R0.117 CCCCCCCCCCCCCCCCCC MCULE-2392852814 [2,0,0,0,0,0|0,0,1]=3 257 B17R0.117 CCCCCCCCCCCCCCCCCN MCULE-2249148626 [2,0,0,0,0,0|1,0,0]=3 258 B17R0.117 CCCCCCCCCCCCCCCCCO MCULE-5595057947 [2,0,0,0,0,0|0,0,0]=2 259 B17R0.117 CCCCCCCCCCCCCCCCNC MCULE-1285251874 [2,0,0,0,0,0|1,0,1]=4 260 B17R0.117 CCCCCCCCCCCCCCNCCO MCULE-9295121461 [2,0,0,0,0,0|1,0,0]=3 261 B17R0.117 CCCCCCCCCCCCCCOCCO MCULE-7801199331 [2,0,0,0,0,0|1,0,0]=3 262 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-3687360805 [2,0,0,0,0,0|1,0,0]=3 263 B17R0.117 CCCCCCCCCCCCCOCCCO MCULE-8888652835 [2,0,0,0,0,0|1,0,0]=3 264 B17R0.117 NCCCCCCCCCCCCCCCCN MCULE-4384458307 [2,0,0,0,0,0|2,0,0]=4 265 B17R0.117 OCCCCCCCCCCCCCCCCBr MCULE-1022662758 [2,0,0,0,0,0|1,0,0]=3 266 B17R0.117 OCCCCCCCCCCCCCCCCO MCULE-4723598157 [2,0,0,0,0,0|1,0,0]=3 267 B17R0.117 OCCCCCCCCCCCCCCCCS MCULE-2183879155 [2,0,0,0,0,0|1,0,0]=3 268 B17R0.117 SCCCCCCCCCCCCCCCCS MCULE-1100070319 [2,0,0,0,0,0|1,1,0]=4 269 B19R0.35 CCCCCCCCCCCCCCC(C)NC(=O)C MCULE-4240586962 [1,1,0,0,0,0|2,0,0]=4 270 B19R0.35 CCCCCCCCCCCCCCC(O)CC(=O)O MCULE-6684061995 [1,1,0,0,0,0|0,0,0]=2 271 B19R0.59 CCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-4196802493 [1,1,0,0,0,0|0,0,1]=3 272 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC MCULE-2350131012 [1,1,0,0,0,0|0,0,2]=4 273 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC MCULE-4465312774 [1,1,0,0,0,0|0,0,0]=2 274 B19R0.148 CCCCCCCCCCCCCCCCC(O)CN MCULE-9682126343 [1,1,0,0,0,0|1,0,1]=4 275 B19R0.148 CCCCCCCCCCCCCCCC[C@@H](O)CO MCULE-5392529093 [1,1,0,0,0,0|0,0,2]=4 276 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr MCULE-1850296129 [1,1,0,0,0,0|1,0,0]=3 277 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO MCULE-5067829702 [1,1,0,0,0,0|1,0,0]=3 278 B19R0.153 CCCCCCCCCCCCSCC[C@H](N)C(=O)O MCULE-8575399975 [1,1,0,0,0,0|1,0,0]=3 279 B19R0.153 CCCCCCCCCCCCSCC[C@H](N)C(=O)O MCULE-8723634142 [1,1,0,0,0,0|1,0,0]=3 280 B19R0.153 [C@@H](N)(COCCCCCCCCCCCCC)C(=O)O MCULE-4708837165 [1,1,0,0,0,0|1,0,0]=3 281 B19R0.153 [C@@H]([NH3+])(COCCCCCCCCCCCCC)C(=O)O MCULE-7338430342 [1,1,0,0,0,0|1,0,0]=3 282 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)O MCULE-5777528150 [1,1,0,0,0,0|1,0,1]=4 283 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O MCULE-4598065479 [1,1,0,0,0,0|0,0,0]=2 284 B19R0.443 O=C(O)CCCCCCCCCCCCCCC(=O)O MCULE-1512003484 [1,1,0,0,0,0|1,0,1]=4 285 B19R0.2958 [C@@H](O)(CCCC#C)CCCCCCCCCCC(=O)O MCULE-5374974906 [1,1,0,0,0,0|0,0,2]=4 286 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(C)C MCULE-1297219083 [1,1,0,0,0,0|2,0,0]=4 287 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(O)O MCULE-8035733316 [1,1,0,0,0,0|1,0,0]=3 288 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl MCULE-9708403811 [1,1,0,0,0,0|1,0,1]=4 289 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)F MCULE-4504055603 [1,1,0,0,0,0|1,0,1]=4 290 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-4046657434 [1,1,0,0,0,0|1,0,1]=4 291 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-7597485703 [1,1,0,0,0,0|1,0,1]=4 292 B19R0.9205 O=C(O)CCCCC(=O)CCCCCCCCCCO MCULE-2776384094 [1,1,0,0,0,0|1,0,1]=4 293 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(=O)O MCULE-4781818208 [1,1,0,0,0,0|0,0,0]=2 294 B19R0.26214 CCCCCCCCCC(=O)CCCCCCC(=O)O MCULE-8979687298 [1,1,0,0,0,0|0,0,1]=3 295 B19R0.26214 CCCCCCCCCC(=O)NCCCCCC(=O)O MCULE-1740781832 [1,1,0,0,0,0|1,0,1]=4 296 B19R0.26214 CCCCCCCCCC(O)CCCCCCC(=O)O MCULE-2739435890 [1,1,0,0,0,0|0,0,0]=2 297 B19R0.26289 CCCCCCC(=O)CCCCCCCCCC(=O)O MCULE-8472999265 [1,1,0,0,0,0|0,0,1]=3 298 B19R0.26289 CCCCCCC(O)CCCCCCCCCC(=O)O MCULE-3978963802 [1,1,0,0,0,0|0,0,0]=2 299 B19R0.36 BrCCCCCCCCCCCCCCCCCCBr MCULE-4464658477 [1,1,0,0,0,0|1,0,1]=4 300 B19R0.36 C=CCCCCCCCCCCCCCCCCC=C MCULE-5965295804 [1,1,0,0,0,0|1,0,1]=4 301 B19R0.36 C=CCCCCCCCCCCCCCCCCCC MCULE-8547456617 [1,1,0,0,0,0|1,0,0]=3 302 B19R0.36 CCCCCCCCCCCCCCCCCCC#N MCULE-8414709470 [1,1,0,0,0,0|1,0,1]=4 303 B19R0.36 CCCCCCCCCCCCCCCCCCCC MCULE-4659194332 [1,1,0,0,0,0|1,0,1]=4 304 B19R0.36 CCCCCCCCCCCCCCCCCCCN MCULE-2134609571 [1,1,0,0,0,0|1,0,1]=4 305 B19R0.36 CCCCCCCCCCCCCCCCCCCO MCULE-6992104307 [1,1,0,0,0,0|0,0,1]=3 306 B19R0.36 CCCCCCCCCCCCCCCCCCNC MCULE-7372383680 [1,1,0,0,0,0|1,0,1]=4 307 B19R0.36 CCCCCCCCCCCCCCCCCCNC MCULE-9697487367 [1,1,0,0,0,0|1,0,1]=4 308 B19R0.36 CCCCCCCCCCCCCCCCNCCO MCULE-2098020562 [1,1,0,0,0,0|0,0,1]=3 309 B19R0.36 CCCCCCCCCCCCCCCCNCCO MCULE-9219383518 [1,1,0,0,0,0|0,0,1]=3 310 B19R0.36 CCCCCCCCCCCCCCCCOCCO MCULE-8116144329 [1,1,0,0,0,0|0,0,1]=3 311 B19R0.36 CCCCCCCCCCCCCCNCCCCC MCULE-7245951059 [1,1,0,0,0,0|1,0,1]=4 312 B19R0.36 NCCCCCCCCCCCCCCCCCCN MCULE-8057998756 [1,1,0,0,0,0|1,0,1]=4 313 B19R0.36 OCCCCCCCCCCCCCCCCCCO MCULE-6691412387 [1,1,0,0,0,0|0,0,1]=3 314 B19R0.36 [NH2+](CCO)CCCCCCCCCCCCCCCC MCULE-3078531807 [1,1,0,0,0,0|0,0,1]=3 315 B19R0.18065 CCCCCCC(O)CCCCCCCCCCCO MCULE-1479121850 [1,1,0,0,0,0|0,0,1]=3 316 B19R0.23229 CCCCCCCCCCC(O)CCCCCCCC MCULE-8412489803 [1,1,0,0,0,0|1,0,1]=4 317 B19R0.26208 CCCCCCCCCC(N)CCCCCCCCC MCULE-2479497995 [1,1,0,0,0,0|1,0,1]=4 318 B19R0.26208 CCCCCCCCCC(O)CCCCCCCCC MCULE-6565530891 [1,1,0,0,0,0|1,0,1]=4 319 B21R0.9111 CCCCCCCCC(Br)C(Br)CCCCCCCC(=O)O MCULE-7796523734 [0,2,0,0,0,0|0,0,0]=2 320 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)O MCULE-1344194777 [0,2,0,0,0,0|0,0,0]=2 321 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-] MCULE-1487409845 [0,2,0,0,0,0|0,0,1]=3 322 B21R0.10777 CCCCCCCCC(=O)CCCCCCCCC(=O)OC MCULE-5431651592 [0,2,0,0,0,0|0,0,1]=3 323 B21R0.10777 CCCCCCCCC(O)CCCCCCCCC(=O)OC MCULE-6562180210 [0,2,0,0,0,0|0,0,0]=2 324 B21R0.32823 CCCCCCCCC(O)/C=C/C(O)CCCCCC(=O)O MCULE-6062953634 [0,2,0,0,0,0|0,0,2]=4 325 B21R0.32823 CCCCCCCCC(O)C=CC(O)CCCCCC(=O)O MCULE-1006266068 [0,2,0,0,0,0|0,0,2]=4 326 B21R0.32823 CCCCCCCC[C@H](O)C=C[C@@H](O)CCCCCC(=O)O MCULE-5095005612 [0,2,0,0,0,0|0,0,2]=4 327 B21R0.36685 CCCCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-9210864288 [0,2,0,0,0,0|0,0,0]=2 328 B21R0.21192 CCCCCCC(=O)CCCCCCCCCCC(=O)OC MCULE-4320259380 [0,2,0,0,0,0|0,0,1]=3 329 B21R0.21192 CCCCCCC(O)CC=CCCCCCCCC(=O)OC MCULE-5183068201 [0,2,0,0,0,0|0,0,2]=4 330 B21R0.21192 CCCCCCC(O)CCCCCCCCCCC(=O)OC MCULE-2811244518 [0,2,0,0,0,0|0,0,0]=2 331 B21R0.21192 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OC MCULE-5897136444 [0,2,0,0,0,0|0,0,2]=4 332 B21R0.37067 CCCCC[C@@H](O)[C@@H](O)CC=CCCCCCCCC(=O)O MCULE-2340026715 [0,2,0,0,0,0|0,0,2]=4 333 B21R0.25505 CCCCCCCCCCCCCC(=O)CCCC(=O)OC MCULE-1316732844 [0,2,0,0,0,0|0,0,1]=3 334 B21R0.32984 CCCCCCCCC=C[C@H](O)CC[C@@H](O)CCCC(=O)O MCULE-5456498205 [0,2,0,0,0,0|0,0,2]=4 335 B21R0.36393 CCCCCCCCCCCCCCCC(=O)CC(=O)OC MCULE-9530911998 [0,2,0,0,0,0|0,0,1]=3 336 B21R0.36393 CCCCCCCCCCCCCCCC(O)CC(=O)OC MCULE-2083506375 [0,2,0,0,0,0|0,0,0]=2 337 B21R0.36393 CCCCCCCCCCCCCCCC(O)CC(O)CO MCULE-5049191504 [0,2,0,0,0,0|0,0,2]=4 338 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC MCULE-3805960874 [0,2,0,0,0,0|0,0,0]=2 339 B21R0.2907 CCCCCCCC/C=C\CCCCCCCC(=O)OCC MCULE-9535038485 [0,2,0,0,0,0|0,0,2]=4 340 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC MCULE-3486771028 [0,2,0,0,0,0|0,0,2]=4 341 B21R0.2907 CCCCCCCCCCCC=CCCCCC(=O)OCC MCULE-2240739017 [0,2,0,0,0,0|0,0,2]=4 342 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC MCULE-3414589628 [0,2,0,0,0,0|0,0,0]=2 343 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCCl MCULE-5709243578 [0,2,0,0,0,0|0,0,0]=2 344 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCI MCULE-4466117960 [0,2,0,0,0,0|0,0,0]=2 345 B21R0.2929 CCCCCCCCCC(=O)CCCCCCCC(=O)OC MCULE-3135311657 [0,2,0,0,0,0|0,0,1]=3 346 B21R0.2973 CCCCCCCCCCCCCCCCC(O)C(=O)OC MCULE-2273695745 [0,2,0,0,0,0|0,0,0]=2 347 B21R0.24664 CCC(C)CCCCCCCCCCCCCCC(=O)OC MCULE-5799204590 [0,2,0,0,0,0|0,0,0]=2 348 B21R0.24664 COC(=O)CCCCCCCCCCCCCCC(=O)OC MCULE-9813412468 [0,2,0,0,0,0|1,0,1]=4 349 B21R0.30140 COC(=O)CCCCCCCCCCCCCCCC(=O)O MCULE-2046989600 [0,2,0,0,0,0|0,0,1]=3 350 B21R0.30140 COC(=O)CCCCCCCCCCCCCCCC(C)C MCULE-1150740509 [0,2,0,0,0,0|0,0,0]=2 351 B21R0.36766 CCCCCCCCC=CCCCCCCCCC(=O)OC MCULE-7270276060 [0,2,0,0,0,0|0,0,1]=3 352 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC MCULE-3350746374 [0,2,0,0,0,0|0,0,0]=2 353 B21R0.36766 CCCCCCCCCCCCCCCCCCC(O)CO MCULE-6225581932 [0,2,0,0,0,0|0,0,2]=4 354 B21R0.36766 CCCCCCCCCCCCCCCCOCC(O)CO MCULE-1239816551 [0,2,0,0,0,0|0,0,2]=4 355 B21R0.36766 CCCCCCCCCCCCCCCCOC[C@@H](O)CO MCULE-2829068762 [0,2,0,0,0,0|0,0,2]=4 356 B21R0.36766 CCCCCCCCCCCCCCCCOC[C@@H](O)CO MCULE-4698540329 [0,2,0,0,0,0|0,0,2]=4 357 B21R0.36769 C=C(C)C(=O)OCCCCCCCCCCCCCCCC MCULE-6569281876 [0,2,0,0,0,0|2,0,0]=4 358 B21R0.36769 CCCCCCCCCCCCCCCCCC(=N)N(C)C MCULE-1327250552 [0,2,0,0,0,0|2,0,0]=4 359 B21R0.36769 CCCCCCCCCCCCCCCCCC(=N)N(C)C MCULE-3727638912 [0,2,0,0,0,0|2,0,0]=4 360 B21R0.36769 CCCCCCCCCCCCCCCCCC(=O)N(C)C MCULE-1840809648 [0,2,0,0,0,0|1,0,0]=3 361 B21R0.36769 CCCCCCCCCCCCCCCCOC(=O)C(C)O MCULE-6975680728 [0,2,0,0,0,0|1,0,0]=3 362 B21R0.36769 CCCCCCCCCCCCCCCCOC(=O)[C@H](C)N MCULE-2343144825 [0,2,0,0,0,0|2,0,0]=4 363 B21R0.36769 CCCCCCCCCCCCCCCCOC(=O)[C@H](C)N MCULE-5865759955 [0,2,0,0,0,0|2,0,0]=4 364 B21R0.9296 CCCCCCCCCCCCCCCCC(CC)C(=O)O MCULE-6534484335 [0,2,0,0,0,0|0,0,0]=2 365 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)O MCULE-1871722116 [0,2,0,0,0,0|0,0,1]=3 366 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)[O-] MCULE-2818303268 [0,2,0,0,0,0|0,0,2]=4 367 B21R0.32985 C=CCCCCCCCCC(=O)CCCCCCCC(=O)O MCULE-9714012387 [0,2,0,0,0,0|0,0,2]=4 368 B21R0.25340 CCCCCCCCCCCCS(=O)(=O)NCCCC(=O)O MCULE-2029978934 [0,2,0,0,0,0|2,0,0]=4 369 B21R0.81 C=C(C)CCCCCCCCCCCCCCCCCCC MCULE-6200358997 [0,2,0,0,0,0|2,0,0]=4 370 B21R0.81 CCCC/C=C\CCCCCCCCCCCCOC(=O)C MCULE-2345214295 [0,2,0,0,0,0|1,0,1]=4 371 B21R0.81 CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)O MCULE-9405390567 [0,2,0,0,0,0|0,0,2]=4 372 B21R0.81 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O MCULE-1395973661 [0,2,0,0,0,0|0,0,2]=4 373 B21R0.81 CCCCC=CCCCCCCCCCCCCOC(=O)C MCULE-2954799239 [0,2,0,0,0,0|1,0,1]=4 374 B21R0.81 CCCCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-5077473579 [0,2,0,0,0,0|0,0,0]=2 375 B21R0.81 CCCCCC=CCC=CCCCCCCCCCC(=O)O MCULE-3918440694 [0,2,0,0,0,0|0,0,2]=4 376 B21R0.81 CCCCCC=CCCCCC=CCCCCCCC(=O)O MCULE-4531863767 [0,2,0,0,0,0|0,0,2]=4 377 B21R0.81 CCCCCC=CCCCCCCCC=CCCCC(=O)O MCULE-6282948904 [0,2,0,0,0,0|0,0,2]=4 378 B21R0.81 CCCCCC=CCCCCCCCCCCCCC(=O)O MCULE-3376654817 [0,2,0,0,0,0|0,0,0]=2 379 B21R0.81 CCCCCCC=CCCCCCCCCCCCC(=O)O MCULE-9376142288 [0,2,0,0,0,0|0,0,0]=2 380 B21R0.81 CCCCCCC=CCCCCCCCCCCOC(=O)C MCULE-9811457552 [0,2,0,0,0,0|1,0,1]=4 381 B21R0.81 CCCCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-1798812588 [0,2,0,0,0,0|0,0,0]=2 382 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)N MCULE-2886059366 [0,2,0,0,0,0|1,0,0]=3 383 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)O MCULE-5167912454 [0,2,0,0,0,0|0,0,0]=2 384 B21R0.81 CCCCCCCCC=CCCCCCCCCOC(=O)C MCULE-7933091917 [0,2,0,0,0,0|1,0,1]=4 385 B21R0.81 CCCCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-8696271470 [0,2,0,0,0,0|0,0,0]=2 386 B21R0.81 CCCCCCCCCCC=CCCCCCCCC(=O)O MCULE-1716285800 [0,2,0,0,0,0|0,0,0]=2 387 B21R0.81 CCCCCCCCCCCC=CCCCCCCC(=O)O MCULE-1737820111 [0,2,0,0,0,0|0,0,0]=2 388 B21R0.81 CCCCCCCCCCCCC#CC#CCCCC(=O)O MCULE-1416233481 [0,2,0,0,0,0|0,0,2]=4 389 B21R0.81 CCCCCCCCCCCCCCC=CCCCC(=O)O MCULE-6785318094 [0,2,0,0,0,0|0,0,0]=2 390 B21R0.81 CCCCCCCCCCCCCCCCCC=CC(=O)O MCULE-9297237540 [0,2,0,0,0,0|0,0,0]=2 391 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)C MCULE-5537259513 [0,2,0,0,0,0|1,0,0]=3 392 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)N MCULE-7873009658 [0,2,0,0,0,0|1,0,0]=3 393 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O MCULE-2888473872 [0,2,0,0,0,0|0,0,0]=2 394 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)[O-] MCULE-5169106993 [0,2,0,0,0,0|0,0,1]=3 395 B21R0.81 CCCCCCCCCCCCCCCCCCNC(=O)C MCULE-1304155027 [0,2,0,0,0,0|1,0,0]=3 396 B21R0.81 CCCCCCCCCCCCCCCCCCNC(=O)N MCULE-2439500537 [0,2,0,0,0,0|1,0,0]=3 397 B21R0.81 CCCCCCCCCCCCCCCCCCOC(=O)C MCULE-3025838252 [0,2,0,0,0,0|1,0,0]=3 398 B21R0.81 CCCCCCCCCCCCCCCCNCCC(=O)N MCULE-7083473692 [0,2,0,0,0,0|1,0,0]=3 399 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCBr MCULE-3663484390 [0,2,0,0,0,0|0,0,0]=2 400 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCO MCULE-7315062903 [0,2,0,0,0,0|0,0,0]=2 401 B21R0.81 O=C(O)CCCCCOCCCCCOCCCCCCCl MCULE-3717188596 [0,2,0,0,0,0|1,0,0]=3 402 B21R0.81 O=C(O)CCCCCOCCOCCOCCCCCCCl MCULE-9612581030 [0,2,0,0,0,0|2,0,0]=4 403 B21R0.9014 CC(C)CCCCCCCCCCCCCCCCC(=O)O MCULE-6203958880 [0,2,0,0,0,0|0,0,0]=2 404 B21R0.9014 O=C(O)CCCCCCCCCCCCCCCCC(=O)O MCULE-2098828387 [0,2,0,0,0,0|0,0,1]=3 405 B21R0.9168 CCCCCCCCCCCC(=O)NCCCCCC(=O)O MCULE-5034275092 [0,2,0,0,0,0|0,0,1]=3 406 B21R0.9168 CCCCCCCCCCCC(=O)NCCCCCC(=O)[O-] MCULE-3780355363 [0,2,0,0,0,0|0,0,2]=4 407 B21R0.9287 CCCCCCCCC(=O)NCCCCCCCCC(=O)O MCULE-5803230685 [0,2,0,0,0,0|0,0,1]=3 408 B21R0.36399 CCCCCCCCCCCCCCCCCCP(=O)(O)O MCULE-5807255184 [0,2,0,0,0,0|1,0,0]=3 409 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)O MCULE-9427388139 [0,2,0,0,0,0|1,0,0]=3 410 B21R0.36399 CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-3444519383 [0,2,0,0,0,0|1,0,1]=4 411 B21R0.32500 CCCCCCCCCCS(=O)(=O)NCCCCCC(=O)O MCULE-3958259288 [0,2,0,0,0,0|2,0,0]=4 412 B21R0.39788 O=C(O)CCCCCCCCCCCCCCCP(=O)(O)O MCULE-3805277277 [0,2,0,0,0,0|2,0,0]=4 413 B19R1.274 [C@@H]1(CCC(=O)O1)CCCCCCCCCCCCC MCULE-7211376504 [1,0,0,1,0,0|0,0,0]=2 414 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 MCULE-3888851261 [1,0,0,1,0,0|0,0,0]=2 415 B19R1.25715 O=C(O)CCCCCCCCCCC1COCCO1 MCULE-1006879894 [1,0,0,1,0,0|2,0,0]=4 416 B19R1.25715 O=C(O)CCCCCCCCCCN1CCOCC1 MCULE-9515637697 [1,0,0,1,0,0|2,0,0]=4 417 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 MCULE-1843981676 [1,0,0,1,0,0|1,0,1]=4 418 B19R1.46541 CCCCCCC1CC1CCCCCCCC(=O)O MCULE-2189450865 [1,0,0,1,0,0|0,0,0]=2 419 B19R1.275 CCCCCCCCCCCCCC1CCCCC1 MCULE-3381978862 [1,0,0,1,0,0|1,0,1]=4 420 B19R1.27373 CCCCCCCCCCCCN1CCCCC1=O MCULE-6329381758 [1,0,0,1,0,0|1,0,0]=3 421 B19R1.46528 CCCCCCCCCCCCCCC1CCC1=O MCULE-9877242647 [1,0,0,1,0,0|0,0,0]=2 422 B21R1.17805 CCCCCCCCC1=C(C1)CCCCCCCC(=O)O MCULE-5750300123 [0,1,0,1,0,0|0,0,1]=3 423 B21R1.17805 CCCCCCCCC1CC1CCCCCCCC(=O)O MCULE-6976268565 [0,1,0,1,0,0|0,0,0]=2 424 B21R1.17805 CCCCCCCCC1OC1CCCCCCCC(=O)O MCULE-5420058418 [0,1,0,1,0,0|0,0,0]=2 425 B21R1.17805 CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)O MCULE-8871810161 [0,1,0,1,0,0|0,0,0]=2 426 B21R1.17805 CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O MCULE-6683247888 [0,1,0,1,0,0|0,0,0]=2 427 B21R1.17805 CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)O MCULE-7350450267 [0,1,0,1,0,0|0,0,0]=2 428 B21R1.17805 CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)O MCULE-8569078311 [0,1,0,1,0,0|0,0,0]=2 429 B21R1.988145 CCCCCCC1CC1CCCCCCCCCC(=O)O MCULE-9526160011 [0,1,0,1,0,0|0,0,0]=2 430 B21R1.1037565 O=C(O)CCCC(=O)NC1CCCCCCCCCCC1 MCULE-9704243008 [0,1,0,1,0,0|1,0,1]=4 431 B21R1.632789 CCCCCCCCCCCCCCCCCC1(CC1)O MCULE-8650244396 [0,1,0,1,0,0|1,0,1]=4 432 B21R1.290332 CCCCCCC1CCC(C1CCCCCCC(=O)O)O MCULE-8367548595 [0,1,0,1,0,0|0,0,0]=2 433 B21R1.17781 CCCCCCCCCCCCCCCCCCC1CO1 MCULE-4351000803 [0,1,0,1,0,0|1,0,1]=4 434 B21R2.109886 C[C@@H]1CCCN1CCCCCCN2CCC[C@H]2C(=O)O MCULE-8094833764 [0,0,0,2,0,0|2,0,0]=4