0 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O TS54369 [0,0,0,0,0,0|0,0,2]=2 1 B19R0.149 C(CCCCCCCCBr)CCCCCCCC(=O)O TS78975 [0,0,0,0,0,0|1,0,0]=1 2 B19R0.149 C(CCCCCCCCI)CCCCCCCC(=O)O TS69125 [0,0,0,0,0,0|1,0,0]=1 3 B19R0.149 C(CCCCCCCCO)CCCCCCCC(=O)O TS34993 [0,0,0,0,0,0|1,0,0]=1 4 B19R0.149 CCCCC#CCCCCCCCCCCOC(=O)C TS54367 [0,0,0,0,0,0|2,0,2]=4 5 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O TS54555 [0,0,0,0,0,0|0,0,2]=2 6 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O TS54556 [0,0,0,0,0,0|0,0,2]=2 7 B19R0.149 CCCCC=CCCCCCCCCCCOC(=O)C TS54554 [0,0,0,0,0,0|2,0,2]=4 8 B19R0.149 CCCCCC=CC=CCCCCCCCCC(=O)O TS93589 [0,0,0,0,0,0|0,0,4]=4 9 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O TS39920 [0,0,0,0,0,0|0,0,4]=4 10 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O TS54366 [0,0,0,0,0,0|0,0,4]=4 11 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O TS70086 [0,0,0,0,0,0|0,0,4]=4 12 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)Cl TS74657 [0,0,0,0,0,0|1,0,2]=3 13 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)O TS54564 [0,0,0,0,0,0|0,0,2]=2 14 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O TS54553 [0,0,0,0,0,0|0,0,2]=2 15 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O TS54370 [0,0,0,0,0,0|0,0,2]=2 16 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl TS74658 [0,0,0,0,0,0|1,0,2]=3 17 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl TS74659 [0,0,0,0,0,0|1,0,2]=3 18 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N TS34358 [0,0,0,0,0,0|1,0,2]=3 19 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS54559 [0,0,0,0,0,0|0,0,2]=2 20 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS54562 [0,0,0,0,0,0|0,0,2]=2 21 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS64263 [0,0,0,0,0,0|0,0,2]=2 22 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS66790 [0,0,0,0,0,0|0,0,2]=2 23 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS80992 [0,0,0,0,0,0|0,0,2]=2 24 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS81972 [0,0,0,0,0,0|0,0,2]=2 25 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O TS84962 [0,0,0,0,0,0|0,0,2]=2 26 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS61613 [0,0,0,0,0,0|0,0,3]=3 27 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS74547 [0,0,0,0,0,0|0,0,3]=3 28 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS74974 [0,0,0,0,0,0|0,0,3]=3 29 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS75115 [0,0,0,0,0,0|0,0,3]=3 30 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS75769 [0,0,0,0,0,0|0,0,3]=3 31 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS81457 [0,0,0,0,0,0|0,0,3]=3 32 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] TS84004 [0,0,0,0,0,0|0,0,3]=3 33 B19R0.149 CCCCCCCCCCC#CC#CCCCC(=O)O TS33853 [0,0,0,0,0,0|0,0,4]=4 34 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O TS54558 [0,0,0,0,0,0|0,0,2]=2 35 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O TS54565 [0,0,0,0,0,0|0,0,2]=2 36 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)[O-] TS75768 [0,0,0,0,0,0|0,0,3]=3 37 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C TS34461 [0,0,0,0,0,0|1,0,0]=1 38 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl TS74824 [0,0,0,0,0,0|1,0,0]=1 39 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N TS34659 [0,0,0,0,0,0|1,0,0]=1 40 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS34775 [0,0,0,0,0,0|0,0,0]=0 41 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS54859 [0,0,0,0,0,0|0,0,0]=0 42 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS64393 [0,0,0,0,0,0|0,0,0]=0 43 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS78613 [0,0,0,0,0,0|0,0,0]=0 44 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O TS93617 [0,0,0,0,0,0|0,0,0]=0 45 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS35317 [0,0,0,0,0,0|0,0,1]=1 46 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS65225 [0,0,0,0,0,0|0,0,1]=1 47 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS73332 [0,0,0,0,0,0|0,0,1]=1 48 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS75132 [0,0,0,0,0,0|0,0,1]=1 49 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS75317 [0,0,0,0,0,0|0,0,1]=1 50 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS75527 [0,0,0,0,0,0|0,0,1]=1 51 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS76135 [0,0,0,0,0,0|0,0,1]=1 52 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS84124 [0,0,0,0,0,0|0,0,1]=1 53 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS84270 [0,0,0,0,0,0|0,0,1]=1 54 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] TS84909 [0,0,0,0,0,0|0,0,1]=1 55 B19R0.149 CCCCCCCCCCCCCCCCCC(C)C TS34462 [0,0,0,0,0,0|2,0,1]=3 56 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O TS34788 [0,0,0,0,0,0|1,0,1]=2 57 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl TS64871 [0,0,0,0,0,0|2,0,0]=2 58 B19R0.149 CCCCCCCCCSCCCCCCCC(=O)O TS74817 [0,0,0,0,0,0|1,0,0]=1 59 B18R0.176 B(CCCCCCCCCCCCCCCC)(O)O TS30805 [1,0,0,0,0,0|1,0,1]=3 60 B18R0.176 C(CCCCCCCC(=O)O)CCCCCCCBr TS78192 [1,0,0,0,0,0|1,0,0]=2 61 B18R0.176 C(CCCCCCCC(=O)O)CCCCCCCO TS33422 [1,0,0,0,0,0|1,0,0]=2 62 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O TS73793 [1,0,0,0,0,0|0,0,2]=3 63 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O TS73796 [1,0,0,0,0,0|0,0,2]=3 64 B18R0.176 CCCCCCCCCCCCCCCCC(=O)C TS73808 [1,0,0,0,0,0|1,0,0]=2 65 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl TS57984 [1,0,0,0,0,0|1,0,0]=2 66 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O TS30871 [1,0,0,0,0,0|0,0,0]=1 67 B18R0.176 CCCCCCCCCCCCCCCCC(C)C TS30594 [1,0,0,0,0,0|2,0,1]=4 68 B18R0.176 CCCCCCCCCCCCCCCCC(C)O TS30878 [1,0,0,0,0,0|1,0,1]=3 69 B18R0.176 CCCCCCCCCCCCCCCCN(C)C TS73922 [1,0,0,0,0,0|3,0,0]=4 70 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C TS30862 [1,0,0,0,0,0|2,0,0]=3 71 B18R0.221 CCCCC=CCCCCCCCCCCCCO TS73799 [1,0,0,0,0,0|0,0,3]=4 72 B18R0.221 CCCCCCCCC=CCCCCCCCCO TS73800 [1,0,0,0,0,0|0,0,3]=4 73 B18R0.221 CCCCCCCCC=CCCCCCCCCO TS73806 [1,0,0,0,0,0|0,0,3]=4 74 B18R0.221 CCCCCCCCCCCC=CCCCCCO TS73801 [1,0,0,0,0,0|0,0,3]=4 75 B18R0.221 CCCCCCCCCCCCCCCCCC=C TS30342 [1,0,0,0,0,0|1,0,0]=2 76 B18R0.221 CCCCCCCCCCCCCCCCCCBr TS78075 [1,0,0,0,0,0|1,0,1]=3 77 B18R0.221 CCCCCCCCCCCCCCCCCCC TS30596 [1,0,0,0,0,0|1,0,1]=3 78 B18R0.221 CCCCCCCCCCCCCCCCCCCl TS57987 [1,0,0,0,0,0|1,0,1]=3 79 B18R0.221 CCCCCCCCCCCCCCCCCCN TS60542 [1,0,0,0,0,0|1,0,1]=3 80 B18R0.221 CCCCCCCCCCCCCCCCCCN TS63610 [1,0,0,0,0,0|1,0,1]=3 81 B18R0.221 CCCCCCCCCCCCCCCCCCN TS73921 [1,0,0,0,0,0|1,0,1]=3 82 B18R0.221 CCCCCCCCCCCCCCCCCCO TS30877 [1,0,0,0,0,0|0,0,1]=2 83 B18R0.221 CCCCCCCCCCCCCCCCCCS TS54967 [1,0,0,0,0,0|0,1,1]=3 84 B18R0.221 CCCCCCCCCCCCCCCCCC[Si] TS34794 [1,0,0,0,0,0|1,0,1]=3 85 B18R0.221 CCCCCCCCCCCCCCCCN=C=S TS34660 [1,0,0,0,0,0|1,1,1]=4 86 B18R0.221 CCCCCCCCCCCCCCCCNC=O TS73914 [1,0,0,0,0,0|1,0,0]=2 87 B18R0.221 CCCCCCCCCCCCCCCCOC=C TS73805 [1,0,0,0,0,0|2,0,0]=3 88 B18R0.221 CCCCCCCCCCCCCCNCCCN TS30880 [1,0,0,0,0,0|2,0,1]=4 89 B18R0.221 CCCCCCCCCCCCCCOCCCN TS74165 [1,0,0,0,0,0|2,0,1]=4 90 B18R0.221 CCCCCCCCCCCCOCCOCCO TS33629 [1,0,0,0,0,0|2,0,1]=4 91 B18R0.221 CCCCCCCCCNCCCCCCCCC TS73923 [1,0,0,0,0,0|2,0,1]=4 92 B18R0.221 CCCCCCCCCOCCCCCCCCC TS84196 [1,0,0,0,0,0|2,0,1]=4 93 B18R0.221 CCCCCCCCCSCCCCCCCCC TS54968 [1,0,0,0,0,0|2,0,1]=4 94 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)N)O TS74546 [0,1,0,0,0,0|1,0,0]=2 95 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)O)O TS74646 [0,1,0,0,0,0|0,0,0]=1 96 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)O)O TS94285 [0,1,0,0,0,0|0,0,0]=1 97 B20R0.90 CCCCCC[C@H](CC=CCCCCCCCC(=O)O)O TS56063 [0,1,0,0,0,0|0,0,2]=3 98 B20R0.90 CCCCCC[C@H](CC=CCCCCCCCC(=O)O)O TS56064 [0,1,0,0,0,0|0,0,2]=3 99 B20R0.90 CCCCCC[C@H](CC=CCCCCCCCC(=O)[O-])O TS77233 [0,1,0,0,0,0|0,0,3]=4 100 B20R0.3034 CCCCCC=CCCCCCCCCCCC(=O)OC TS58680 [0,1,0,0,0,0|0,0,2]=3 101 B20R0.3034 CCCCCCC=CCCCCCCCCCC(=O)OC TS58675 [0,1,0,0,0,0|0,0,2]=3 102 B20R0.3034 CCCCCCC=CCCCCCCCCCC(=O)OC TS58677 [0,1,0,0,0,0|0,0,2]=3 103 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC TS58681 [0,1,0,0,0,0|0,0,2]=3 104 B20R0.3034 CCCCCCCCCCC=CCCCCCC(=O)OC TS58678 [0,1,0,0,0,0|0,0,2]=3 105 B20R0.3034 CCCCCCCCCCCC=CCCCCC(=O)OC TS58682 [0,1,0,0,0,0|0,0,2]=3 106 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)CC TS58690 [0,1,0,0,0,0|1,0,0]=2 107 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NN TS56079 [0,1,0,0,0,0|1,0,0]=2 108 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC TS56072 [0,1,0,0,0,0|0,0,0]=1 109 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC TS93098 [0,1,0,0,0,0|0,0,0]=1 110 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OO TS78715 [0,1,0,0,0,0|0,0,0]=1 111 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)C=C TS58674 [0,1,0,0,0,0|2,0,0]=3 112 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCBr TS66534 [0,1,0,0,0,0|1,0,0]=2 113 B20R0.3037 CCCCCCCCCCCCCCCCC(C(=O)O)Br TS66533 [0,1,0,0,0,0|0,0,0]=1 114 B20R0.3037 CCCCCCCCCCCCCCCCC(C(=O)O)O TS74647 [0,1,0,0,0,0|0,0,0]=1 115 B20R0.26099 C(CCCCCCCC(=O)O)CCCCCCC(CCl)Cl TS78432 [0,1,0,0,0,0|1,0,0]=2 116 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)O TS56068 [0,1,0,0,0,0|0,0,0]=1 117 B20R0.31940 CCCCCCCCC=CCCCCCCCCC(=O)O TS65204 [0,1,0,0,0,0|0,0,1]=2 118 B20R0.31940 CCCCCCCCCCC#CC#CCCCCC(=O)O TS35325 [0,1,0,0,0,0|0,0,3]=4 119 B20R0.31940 CCCCCCCCCCCCCCC#CC#CC(=O)O TS35333 [0,1,0,0,0,0|0,0,3]=4 120 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)Cl TS61320 [0,1,0,0,0,0|1,0,0]=2 121 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O TS56070 [0,1,0,0,0,0|0,0,0]=1 122 B20R0.31940 CCCCCCCCCCCCCCCCCCC(C)C TS35931 [0,1,0,0,0,0|2,0,1]=4 123 B20R0.31940 CCCCCCCCCCCCCCCCCCN(C)C TS58764 [0,1,0,0,0,0|3,0,0]=4 124 B20R0.31940 CCCCCCCCCCCCCCCCCC[SiH](C)C TS61031 [0,1,0,0,0,0|2,1,0]=4 125 B20R0.31940 CCCCCCCCCCCCCCCCCOC(=O)C TS56077 [0,1,0,0,0,0|1,0,0]=2 126 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)(O)O TS61730 [0,1,0,0,0,0|2,0,0]=3 127 B20R0.32509 CCCCCCCCCCCCCCCCOP(=O)(O)[O-] TS79536 [0,1,0,0,0,0|2,0,0]=3 128 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)[O-] TS64447 [0,1,0,0,0,0|2,0,1]=4 129 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)O TS56069 [0,1,0,0,0,0|0,0,0]=1 130 B17R0.43 C(CCCCCCCBr)CCCCCCC(=O)O TS77281 [2,0,0,0,0,0|1,0,0]=3 131 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)O TS68180 [2,0,0,0,0,0|1,0,0]=3 132 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O TS67643 [2,0,0,0,0,0|0,0,2]=4 133 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O TS67634 [2,0,0,0,0,0|0,0,2]=4 134 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl TS33653 [2,0,0,0,0,0|1,0,0]=3 135 B17R0.43 CCCCCCCCCCCCCCCC(=O)N TS28822 [2,0,0,0,0,0|1,0,0]=3 136 B17R0.43 CCCCCCCCCCCCCCCC(=O)O TS28971 [2,0,0,0,0,0|0,0,0]=2 137 B17R0.43 CCCCCCCCCCCCCCCC(=O)O TS29099 [2,0,0,0,0,0|0,0,0]=2 138 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS29823 [2,0,0,0,0,0|0,0,1]=3 139 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS54183 [2,0,0,0,0,0|0,0,1]=3 140 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS58506 [2,0,0,0,0,0|0,0,1]=3 141 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS75420 [2,0,0,0,0,0|0,0,1]=3 142 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] TS83940 [2,0,0,0,0,0|0,0,1]=3 143 B17R0.43 CCCCCCCCCCCCCCCC(=S)O TS57976 [2,0,0,0,0,0|0,1,0]=3 144 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl TS31186 [2,0,0,0,0,0|2,0,0]=4 145 B17R0.117 C(CCCCCCCCBr)CCCCCCCBr TS67302 [2,0,0,0,0,0|2,0,0]=4 146 B17R0.117 C(CCCCCCCCBr)CCCCCCCO TS77296 [2,0,0,0,0,0|1,0,0]=3 147 B17R0.117 C(CCCCCCCCO)CCCCCCCO TS68194 [2,0,0,0,0,0|1,0,0]=3 148 B17R0.117 C(CCCCCCCCS)CCCCCCCO TS30958 [2,0,0,0,0,0|1,0,0]=3 149 B17R0.117 CCCCCCCCCCCCCCCCC#C TS62915 [2,0,0,0,0,0|0,0,2]=4 150 B17R0.117 CCCCCCCCCCCCCCCCC#N TS63027 [2,0,0,0,0,0|1,0,1]=4 151 B17R0.117 CCCCCCCCCCCCCCCCC=C TS28386 [2,0,0,0,0,0|0,0,1]=3 152 B17R0.117 CCCCCCCCCCCCCCCCCBr TS61503 [2,0,0,0,0,0|1,0,0]=3 153 B17R0.117 CCCCCCCCCCCCCCCCCC TS28692 [2,0,0,0,0,0|0,0,1]=3 154 B17R0.117 CCCCCCCCCCCCCCCCCN TS67766 [2,0,0,0,0,0|1,0,0]=3 155 B17R0.117 CCCCCCCCCCCCCCCCCO TS67917 [2,0,0,0,0,0|0,0,0]=2 156 B17R0.117 CCCCCCCCCCCCCCCCCS TS74293 [2,0,0,0,0,0|0,1,0]=3 157 B17R0.117 CCCCCCCCCCCCCCCCC[Na] TS79456 [2,0,0,0,0,0|1,0,0]=3 158 B17R0.117 CCCCCCCCCCCCCCCCSC TS74292 [2,0,0,0,0,0|1,0,1]=4 159 B17R0.117 CCCCCCCCCCCCCCOCCO TS68192 [2,0,0,0,0,0|1,0,0]=3 160 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC TS54557 [1,1,0,0,0,0|0,0,2]=4 161 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC TS54778 [1,1,0,0,0,0|0,0,0]=2 162 B19R0.148 CCCCCCCCCCCCCCCC[C@@H](CO)O TS54958 [1,1,0,0,0,0|0,0,2]=4 163 B19R0.148 CCCCCCCCCCCCCCCC[C@H](CO)O TS54962 [1,1,0,0,0,0|0,0,2]=4 164 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr TS78974 [1,1,0,0,0,0|1,0,0]=3 165 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)O TS54855 [1,1,0,0,0,0|1,0,1]=4 166 B19R0.443 C(CCCCCCCC(=O)O)CCCCCCC(=O)O TS34974 [1,1,0,0,0,0|1,0,1]=4 167 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O TS54776 [1,1,0,0,0,0|0,0,0]=2 168 B19R0.2958 C#CCCC[C@H](CCCCCCCCCCC(=O)O)O TS30590 [1,1,0,0,0,0|0,0,2]=4 169 B19R0.3102 CCCCCCCCCCCCCCCCP(=O)(O)O TS60603 [1,1,0,0,0,0|1,0,0]=3 170 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl TS61860 [1,1,0,0,0,0|1,0,1]=4 171 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] TS77772 [1,1,0,0,0,0|1,0,1]=4 172 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(=O)O TS34781 [1,1,0,0,0,0|0,0,0]=2 173 B19R0.36 C(CCCCCCCCCBr)CCCCCCCCBr TS69651 [1,1,0,0,0,0|1,0,1]=4 174 B19R0.36 C=CCCCCCCCCCCCCCCCCC=C TS34057 [1,1,0,0,0,0|1,0,1]=4 175 B19R0.36 CCCCCCCCCCCCCCCCCCC#N TS54276 [1,1,0,0,0,0|1,0,1]=4 176 B19R0.36 CCCCCCCCCCCCCCCCCCC=C TS34247 [1,1,0,0,0,0|1,0,0]=3 177 B19R0.36 CCCCCCCCCCCCCCCCCCCBr TS78869 [1,1,0,0,0,0|1,0,1]=4 178 B19R0.36 CCCCCCCCCCCCCCCCCCCC TS34467 [1,1,0,0,0,0|1,0,1]=4 179 B19R0.36 CCCCCCCCCCCCCCCCCCCN TS34664 [1,1,0,0,0,0|1,0,1]=4 180 B19R0.36 CCCCCCCCCCCCCCCCCCCO TS34789 [1,1,0,0,0,0|0,0,1]=3 181 B19R0.36 CCCCCCCCCCCCCCCCCCNC TS34663 [1,1,0,0,0,0|1,0,1]=4 182 B19R0.36 CCCCCCCCCCCCCCCCCCSC TS59010 [1,1,0,0,0,0|0,1,1]=4 183 B19R0.36 CCCCCCCCCCCCCCCCCC[Mg]Cl TS61055 [1,1,0,0,0,0|1,0,1]=4 184 B19R0.36 CCCCCCCCCCCCCCCCOCCO TS54961 [1,1,0,0,0,0|0,0,1]=3 185 B19R0.18065 CCCCCCC(CCCCCCCCCCCO)O TS54959 [1,1,0,0,0,0|0,0,1]=3 186 B19R0.26208 CCCCCCCCCC(C)CCCCCCCCC TS34466 [1,1,0,0,0,0|1,0,1]=4 187 B19R0.26208 CCCCCCCCCC(CCCCCCCCC)O TS34787 [1,1,0,0,0,0|1,0,1]=4 188 B21R0.9111 CCCCCC=CC[C@H]([C@@H](CCCCCCCC(=O)O)O)O TS76724 [0,2,0,0,0,0|0,0,2]=4 189 B21R0.9111 CCCCCCCCC(C(CCCCCCCC(=O)O)Br)Br TS82202 [0,2,0,0,0,0|0,0,0]=2 190 B21R0.21192 CCCCCCC(=O)CCCCCCCCCCC(=O)OC TS76569 [0,2,0,0,0,0|0,0,1]=3 191 B21R0.21192 CCCCCC[C@H](CC=CCCCCCCCC(=O)OC)O TS76567 [0,2,0,0,0,0|0,0,2]=4 192 B21R0.25505 CCCCCCCCCCCCCC(=O)CCCC(=O)OC TS76566 [0,2,0,0,0,0|0,0,1]=3 193 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OC=C TS76281 [0,2,0,0,0,0|0,0,2]=4 194 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC TS60888 [0,2,0,0,0,0|0,0,2]=4 195 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC TS60893 [0,2,0,0,0,0|0,0,2]=4 196 B21R0.2907 CCCCCCCCCCCC=CCCCCC(=O)OCC TS60890 [0,2,0,0,0,0|0,0,2]=4 197 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OC=C TS60892 [0,2,0,0,0,0|0,0,0]=2 198 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC TS76576 [0,2,0,0,0,0|0,0,0]=2 199 B21R0.2973 CCCCCCCCCCCCCCCCC(C(=O)OC)O TS61175 [0,2,0,0,0,0|0,0,0]=2 200 B21R0.9167 CCCCCCCCCCCC(=O)CCCCCC(=O)OC TS76568 [0,2,0,0,0,0|0,0,1]=3 201 B21R0.24664 CCC(C)CCCCCCCCCCCCCCC(=O)OC TS76573 [0,2,0,0,0,0|0,0,0]=2 202 B21R0.24664 COC(=O)CCCCCCCCCCCCCCC(=O)OC TS76723 [0,2,0,0,0,0|1,0,1]=4 203 B21R0.30140 CC(C)CCCCCCCCCCCCCCCC(=O)OC TS76580 [0,2,0,0,0,0|0,0,0]=2 204 B21R0.36766 CCCCCCCCC=CCCCCCCCCC(=O)OC TS60894 [0,2,0,0,0,0|0,0,1]=3 205 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)NC TS76491 [0,2,0,0,0,0|1,0,0]=3 206 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC TS76578 [0,2,0,0,0,0|0,0,0]=2 207 B21R0.36766 CCCCCCCCCCCCCCCCOCC(CO)O TS76863 [0,2,0,0,0,0|0,0,2]=4 208 B21R0.36766 CCCCCCCCCCCCCCCCOC[C@H](CO)N TS76799 [0,2,0,0,0,0|1,0,1]=4 209 B21R0.36766 CCCCCCCCCCCCCCCCOC[C@H](CO)O TS76864 [0,2,0,0,0,0|0,0,2]=4 210 B21R0.36769 CCCCCCCCCCCCCCCCCC(=O)N(C)C TS76490 [0,2,0,0,0,0|1,0,0]=3 211 B21R0.36769 CCCCCCCCCCCCCCCCNC(=O)C(=C)C TS76358 [0,2,0,0,0,0|2,0,0]=4 212 B21R0.36769 CCCCCCCCCCCCCCCCOC(=O)C(=C)C TS60891 [0,2,0,0,0,0|2,0,0]=4 213 B21R0.36769 CCCCCCCCCCCCCCCCOC(=O)C(C)O TS61174 [0,2,0,0,0,0|1,0,0]=3 214 B21R0.37123 CCCCCCCCCCCCCCCCC(C(=O)O)(Cl)Cl TS66062 [0,2,0,0,0,0|0,0,0]=2 215 B21R0.81 C(CCCCCCCCCBr)CCCCCCCCC(=O)O TS67087 [0,2,0,0,0,0|0,0,0]=2 216 B21R0.81 CCCCC=CCCCCCCCCCCCCOC(=O)C TS60889 [0,2,0,0,0,0|1,0,1]=4 217 B21R0.81 CCCCCCC=CCCCCCCCCCCCC(=O)O TS60897 [0,2,0,0,0,0|0,0,0]=2 218 B21R0.81 CCCCCCCCC#CCC#CCCCCCCC(=O)O TS60443 [0,2,0,0,0,0|0,0,2]=4 219 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)O TS60898 [0,2,0,0,0,0|0,0,0]=2 220 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)O TS60899 [0,2,0,0,0,0|0,0,0]=2 221 B21R0.81 CCCCCCCCC=CCCCCCCCCOC(=O)C TS60895 [0,2,0,0,0,0|1,0,1]=4 222 B21R0.81 CCCCCCCCCCCCC#CC#CCCCC(=O)O TS75771 [0,2,0,0,0,0|0,0,2]=4 223 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O TS85298 [0,2,0,0,0,0|0,0,0]=2 224 B21R0.81 CCCCCCCCCCCCCCCCCCNC(=O)N TS76582 [0,2,0,0,0,0|1,0,0]=3 225 B21R0.81 CCCCCCCCCCCCCCCCCCOC(=O)C TS76577 [0,2,0,0,0,0|1,0,0]=3 226 B21R0.9014 CC(C)CCCCCCCCCCCCCCCCC(=O)O TS76579 [0,2,0,0,0,0|0,0,0]=2 227 B21R0.36399 CCCCCCCCCCCCCCCCCCP(=O)(O)O TS78154 [0,2,0,0,0,0|1,0,0]=3 228 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 TS73804 [1,0,0,1,0,0|1,0,1]=4 229 B19R1.275 CCCCCCCCCCCCCC1CCCCC1 TS30341 [1,0,0,1,0,0|1,0,1]=4 230 B21R1.17805 CCCCCC=CCC1C(O1)CCCCCCCC(=O)O TS35919 [0,1,0,1,0,0|0,0,2]=4 231 B21R1.17805 CCCCCCCCC1=C(C1)CCCCCCCC(=O)O TS58503 [0,1,0,1,0,0|0,0,1]=3 232 B21R1.17805 CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)O TS58679 [0,1,0,1,0,0|0,0,0]=2 233 B21R1.17805 CCCCCCCC[C@@H]1[C@H](O1)CCCCCCCC(=O)O TS56061 [0,1,0,1,0,0|0,0,0]=2 234 B21R1.79126 CCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O TS55965 [0,1,0,1,0,0|1,0,1]=4 235 B21R1.17781 CCCCCCCCCCCCCCCCCCC1CO1 TS58687 [0,1,0,1,0,0|1,0,1]=4 236 B21R1.17781 CCCCCCCCCCCCCCCCOCC1CO1 TS56076 [0,1,0,1,0,0|1,0,1]=4