0 B13R0.336 C#CCCCCCCCCCCCO TS53734 [0,0,0,0,0,0|2,0,1]=3 1 B13R0.336 C(CCCCCC#N)CCCCC#N TS51550 [0,0,0,0,0,0|2,0,2]=4 2 B13R0.336 C(CCCCCCBr)CCCCCBr TS63499 [0,0,0,0,0,0|2,0,1]=3 3 B13R0.336 C(CCCCCCBr)CCCCCO TS30140 [0,0,0,0,0,0|1,0,2]=3 4 B13R0.336 C(CCCCCCCl)CCCCCCl TS26352 [0,0,0,0,0,0|2,0,1]=3 5 B13R0.336 C(CCCCCCN)CCCCCN TS19088 [0,0,0,0,0,0|2,0,1]=3 6 B13R0.336 C(CCCCCCO)CCCCCO TS59874 [0,0,0,0,0,0|1,0,2]=3 7 B13R0.336 C(CCCCCCS)CCCCCS TS56561 [0,0,0,0,0,0|1,1,1]=3 8 B13R0.336 C=CCCCCCCCCCCC=C TS17945 [0,0,0,0,0,0|1,0,2]=3 9 B13R0.336 CC#CCCCCCCCCCCO TS53733 [0,0,0,0,0,0|0,0,4]=4 10 B13R0.336 CCCCCCC#CCCCCCC TS17947 [0,0,0,0,0,0|1,0,3]=4 11 B13R0.336 CCCCCCCCC=CCCCO TS54097 [0,0,0,0,0,0|0,0,4]=4 12 B13R0.336 CCCCCCCCCCC#CCO TS53735 [0,0,0,0,0,0|0,0,4]=4 13 B13R0.336 CCCCCCCCCCC=CC=O TS53736 [0,0,0,0,0,0|0,0,2]=2 14 B13R0.336 CCCCCCCCCCC=CCO TS54101 [0,0,0,0,0,0|0,0,4]=4 15 B13R0.336 CCCCCCCCCCCCC#C TS17946 [0,0,0,0,0,0|1,0,1]=2 16 B13R0.336 CCCCCCCCCCCCC#N TS52068 [0,0,0,0,0,0|1,0,1]=2 17 B13R0.336 CCCCCCCCCCCCC=C TS18335 [0,0,0,0,0,0|1,0,0]=1 18 B13R0.336 CCCCCCCCCCCCC=O TS54098 [0,0,0,0,0,0|0,0,0]=0 19 B13R0.336 CCCCCCCCCCCCCBr TS29898 [0,0,0,0,0,0|1,0,1]=2 20 B13R0.336 CCCCCCCCCCCCCC TS54111 [0,0,0,0,0,0|1,0,1]=2 21 B13R0.336 CCCCCCCCCCCCCN TS37785 [0,0,0,0,0,0|1,0,1]=2 22 B13R0.336 CCCCCCCCCCCCCO TS19086 [0,0,0,0,0,0|0,0,2]=2 23 B13R0.336 CCCCCCCCCCCCC[SiH3] TS71929 [0,0,0,0,0,0|1,0,1]=2 24 B13R0.336 CCCCCCCCCCCCNC TS37782 [0,0,0,0,0,0|2,0,0]=2 25 B13R0.336 CCCCCCCCCCCCON TS19266 [0,0,0,0,0,0|2,0,0]=2 26 B13R0.336 CCCCCCCCCCCCSC TS49165 [0,0,0,0,0,0|2,0,0]=2 27 B13R0.336 CCCCCCCCCCCN=C=O TS18494 [0,0,0,0,0,0|1,0,1]=2 28 B13R0.336 CCCCCCCCCCCN=C=S TS21544 [0,0,0,0,0,0|1,1,1]=3 29 B13R0.336 CCCCCCCCCCOCCO TS19460 [0,0,0,0,0,0|1,0,2]=3 30 B13R0.336 CCCCCCCCCNCCC#N TS53741 [0,0,0,0,0,0|2,0,1]=3 31 B13R0.336 CCCCCCSSCCCCCC TS56562 [0,0,0,0,0,0|3,0,1]=4 32 B12R0.5 C#CCCCCCCCCCCO TS34609 [1,0,0,0,0,0|0,0,3]=4 33 B12R0.5 C(CCCCCBr)CCCCCBr TS76658 [1,0,0,0,0,0|2,0,0]=3 34 B12R0.5 C(CCCCCN)CCCCCN TS48969 [1,0,0,0,0,0|2,0,0]=3 35 B12R0.5 C(CCCCCO)CCCCCBr TS34608 [1,0,0,0,0,0|1,0,1]=3 36 B12R0.5 C(CCCCCO)CCCCCO TS16060 [1,0,0,0,0,0|1,0,1]=3 37 B12R0.5 C(CCCCCO)CCCCCS TS38694 [1,0,0,0,0,0|1,0,1]=3 38 B12R0.5 CC#CCCCCCCCCCO TS48330 [1,0,0,0,0,0|0,0,3]=4 39 B12R0.5 CCC=CCCCCCCCCO TS48645 [1,0,0,0,0,0|0,0,3]=4 40 B12R0.5 CCCC=CCCCCCCCO TS48644 [1,0,0,0,0,0|0,0,3]=4 41 B12R0.5 CCCCC#CCCCCCCCl TS19131 [1,0,0,0,0,0|1,0,2]=4 42 B12R0.5 CCCCC=CCCCCCCO TS48647 [1,0,0,0,0,0|0,0,3]=4 43 B12R0.5 CCCCCCCCCC=CC=O TS48324 [1,0,0,0,0,0|0,0,2]=3 44 B12R0.5 CCCCCCCCCC=CCO TS48639 [1,0,0,0,0,0|0,0,3]=4 45 B12R0.5 CCCCCCCCCCCC#C TS47980 [1,0,0,0,0,0|0,0,2]=3 46 B12R0.5 CCCCCCCCCCCC#N TS48132 [1,0,0,0,0,0|1,0,1]=3 47 B12R0.5 CCCCCCCCCCCC=C TS15047 [1,0,0,0,0,0|0,0,1]=2 48 B12R0.5 CCCCCCCCCCCC=O TS48637 [1,0,0,0,0,0|0,0,0]=1 49 B12R0.5 CCCCCCCCCCCCBr TS00034 [1,0,0,0,0,0|1,0,0]=2 50 B12R0.5 CCCCCCCCCCCCC TS15357 [1,0,0,0,0,0|0,0,1]=2 51 B12R0.5 CCCCCCCCCCCCC TS68874 [1,0,0,0,0,0|0,0,1]=2 52 B12R0.5 CCCCCCCCCCCCCl TS38729 [1,0,0,0,0,0|1,0,0]=2 53 B12R0.5 CCCCCCCCCCCCF TS50804 [1,0,0,0,0,0|1,0,0]=2 54 B12R0.5 CCCCCCCCCCCCN TS48782 [1,0,0,0,0,0|1,0,0]=2 55 B12R0.5 CCCCCCCCCCCCN TS50032 [1,0,0,0,0,0|1,0,0]=2 56 B12R0.5 CCCCCCCCCCCCN TS62201 [1,0,0,0,0,0|1,0,0]=2 57 B12R0.5 CCCCCCCCCCCCO TS15700 [1,0,0,0,0,0|0,0,1]=2 58 B12R0.5 CCCCCCCCCCCCS TS19472 [1,0,0,0,0,0|0,1,0]=2 59 B12R0.5 CCCCCCCCCCOC=C TS48642 [1,0,0,0,0,0|1,0,1]=3 60 B12R0.5 CCCCCCCCNCCC#N TS48344 [1,0,0,0,0,0|2,0,1]=4 61 B12R0.5 CCCCCCCCNCCNC TS48970 [1,0,0,0,0,0|2,0,1]=4 62 B12R0.5 CCCCCCNCCCCCC TS48779 [1,0,0,0,0,0|1,0,1]=3 63 B12R0.5 CCCCCCOCCCCCC TS48967 [1,0,0,0,0,0|1,0,1]=3 64 B12R0.5 CCCCCCOCCOCCO TS17148 [1,0,0,0,0,0|2,0,1]=4 65 B12R0.5 CCCCCCSCCCCCC TS19470 [1,0,0,0,0,0|1,0,1]=3 66 B12R0.5 CCCCCC[Hg]CCCCCC TS66855 [1,0,0,0,0,0|1,0,1]=3 67 B14R0.145 CCCCCCCC(CCCCCC)O TS21765 [0,1,0,0,0,0|1,0,1]=3 68 B14R0.179 CCCCCCCCC(CCCCC)O TS21766 [0,1,0,0,0,0|1,0,1]=3 69 B14R0.337 CCCCCCCCCCCC(=O)NN TS21761 [0,1,0,0,0,0|2,0,1]=4 70 B14R0.337 CCCCCCCCCCCC(=O)OC TS21749 [0,1,0,0,0,0|2,0,1]=4 71 B14R0.337 CCCCCCCCCCCC(CC)O TS21767 [0,1,0,0,0,0|1,0,1]=3 72 B14R0.337 CCCCCCCCCCCC(CCl)Cl TS28463 [0,1,0,0,0,0|1,0,1]=3 73 B14R0.337 CCCCCCCCCCNC(=O)C=C TS44053 [0,1,0,0,0,0|2,0,1]=4 74 B14R0.337 CCCCCCCCCCOC(=O)C=C TS44235 [0,1,0,0,0,0|2,0,1]=4 75 B14R0.392 C#CCCCCCCCCCCCCO TS21004 [0,1,0,0,0,0|1,0,1]=3 76 B14R0.392 C(CCCCCCO)CCCCCCBr TS54225 [0,1,0,0,0,0|0,0,2]=3 77 B14R0.392 C(CCCCCCO)CCCCCCO TS46751 [0,1,0,0,0,0|0,0,2]=3 78 B14R0.392 C(CCCNCCCCCCN)CCN TS44718 [0,1,0,0,0,0|2,0,1]=4 79 B14R0.392 CCC=CCCCCCCCCCC=O TS20999 [0,1,0,0,0,0|0,0,1]=2 80 B14R0.392 CCC=CCCCCCCCCCC=O TS43871 [0,1,0,0,0,0|0,0,1]=2 81 B14R0.392 CCC=CCCCCCCCCCCO TS44246 [0,1,0,0,0,0|0,0,3]=4 82 B14R0.392 CCCCC#CCCCCCCCCO TS21003 [0,1,0,0,0,0|0,0,3]=4 83 B14R0.392 CCCCC=CCCCCCCCC=O TS21005 [0,1,0,0,0,0|0,0,1]=2 84 B14R0.392 CCCCC=CCCCCCCCCO TS44245 [0,1,0,0,0,0|0,0,3]=4 85 B14R0.392 CCCCCCC#CCCCCCCO TS43872 [0,1,0,0,0,0|0,0,3]=4 86 B14R0.392 CCCCCCC=CCCCCCC=O TS21002 [0,1,0,0,0,0|0,0,1]=2 87 B14R0.392 CCCCCCCC=CCCCCCC TS43881 [0,1,0,0,0,0|1,0,2]=4 88 B14R0.392 CCCCCCCCCCC#CCCO TS21001 [0,1,0,0,0,0|0,0,3]=4 89 B14R0.392 CCCCCCCCCCCC=CC=O TS21000 [0,1,0,0,0,0|0,0,1]=2 90 B14R0.392 CCCCCCCCCCCCCC#C TS20648 [0,1,0,0,0,0|1,0,1]=3 91 B14R0.392 CCCCCCCCCCCCCC#N TS20787 [0,1,0,0,0,0|1,0,1]=3 92 B14R0.392 CCCCCCCCCCCCCC=C TS43882 [0,1,0,0,0,0|1,0,0]=2 93 B14R0.392 CCCCCCCCCCCCCCBr TS00042 [0,1,0,0,0,0|1,0,1]=3 94 B14R0.392 CCCCCCCCCCCCCCC TS21396 [0,1,0,0,0,0|1,0,1]=3 95 B14R0.392 CCCCCCCCCCCCCCCl TS25312 [0,1,0,0,0,0|1,0,1]=3 96 B14R0.392 CCCCCCCCCCCCCCF TS49162 [0,1,0,0,0,0|1,0,1]=3 97 B14R0.392 CCCCCCCCCCCCCCI TS61813 [0,1,0,0,0,0|1,0,1]=3 98 B14R0.392 CCCCCCCCCCCCCCN TS21547 [0,1,0,0,0,0|1,0,1]=3 99 B14R0.392 CCCCCCCCCCCCCCO TS44583 [0,1,0,0,0,0|0,0,2]=3 100 B14R0.392 CCCCCCCCCCCCCCS TS24969 [0,1,0,0,0,0|0,1,1]=3 101 B14R0.392 CCCCCCCCCCCCN=C=O TS44052 [0,1,0,0,0,0|0,0,1]=2 102 B14R0.392 CCCCCCCCCCCCOC=C TS44242 [0,1,0,0,0,0|1,0,0]=2 103 B14R0.392 CCCCCCCCCCCCSC#N TS24405 [0,1,0,0,0,0|1,0,1]=3 104 B14R0.392 CCCCCCCCCCOCCCN TS21918 [0,1,0,0,0,0|1,0,1]=3 105 B14R0.392 CCCCCCCCOCCOCCO TS49495 [0,1,0,0,0,0|1,0,2]=4 106 B14R0.392 CCCCCCCNCCCCCCC TS21546 [0,1,0,0,0,0|1,0,1]=3 107 B14R0.392 CCCCCCCOCCCCCCC TS44586 [0,1,0,0,0,0|1,0,1]=3 108 B14R0.392 CCCCCCCSCCCCCCC TS24968 [0,1,0,0,0,0|1,0,1]=3 109 B14R0.393 CCCCCCCCCCC(=O)CCC TS44249 [0,1,0,0,0,0|1,0,2]=4 110 B14R0.393 CCCCCCCCCCC(C)CCC TS21395 [0,1,0,0,0,0|1,0,1]=3 111 B14R0.393 CCOC(=O)CCCCCCCCC=C TS44232 [0,1,0,0,0,0|2,0,1]=4 112 B14R0.394 C#CCCCCCCCCCCC(=O)O TS43867 [0,1,0,0,0,0|0,0,2]=3 113 B14R0.394 C(CCCCCC(=O)O)CCCCC#N TS21166 [0,1,0,0,0,0|1,0,1]=3 114 B14R0.394 C(CCCCCC(=O)O)CCCCCBr TS54218 [0,1,0,0,0,0|1,0,0]=2 115 B14R0.394 C(CCCCCC(=O)O)CCCCCN TS21909 [0,1,0,0,0,0|1,0,0]=2 116 B14R0.394 C(CCCCCC(=O)O)CCCCCO TS22107 [0,1,0,0,0,0|1,0,0]=2 117 B14R0.394 C=CCCCCCCCCCCC(=O)O TS44228 [0,1,0,0,0,0|0,0,2]=3 118 B14R0.394 CC(=O)OCCCCCCCCCC=C TS44231 [0,1,0,0,0,0|1,0,2]=4 119 B14R0.394 CC(C)CCCCCCCOCCCN TS21919 [0,1,0,0,0,0|2,0,1]=4 120 B14R0.394 CCCCCCCCC=CCOC(=O)C TS21384 [0,1,0,0,0,0|1,0,2]=4 121 B14R0.394 CCCCCCCCCCC=CC(=O)O TS44233 [0,1,0,0,0,0|0,0,2]=3 122 B14R0.394 CCCCCCCCCCCCC(=O)C TS44248 [0,1,0,0,0,0|0,0,0]=1 123 B14R0.394 CCCCCCCCCCCCC(=O)Cl TS25311 [0,1,0,0,0,0|0,0,0]=1 124 B14R0.394 CCCCCCCCCCCCC(=O)O TS21757 [0,1,0,0,0,0|0,0,0]=1 125 B14R0.394 CCCCCCCCCCCCC(C)Br TS33924 [0,1,0,0,0,0|1,0,1]=3 126 B14R0.394 CCCCCCCCCCCCC(C)C TS21394 [0,1,0,0,0,0|1,0,1]=3 127 B14R0.394 CCCCCCCCCCCCC(C)O TS44581 [0,1,0,0,0,0|0,0,2]=3 128 B14R0.394 CCCCCCCCCCCCN(C)C TS21548 [0,1,0,0,0,0|2,0,0]=3 129 B14R0.394 CCCCCCCCCCCCS(=O)C TS53380 [0,1,0,0,0,0|1,0,0]=2 130 B14R0.394 CCCCCCCCCCCC[N+](=O)[O-] TS21912 [0,1,0,0,0,0|1,0,0]=2 131 B14R0.394 CCCCCCCCCCCOC(=O)C TS21754 [0,1,0,0,0,0|1,0,0]=2 132 B14R0.493 CCCCCCCCCC(=O)CCCC TS21386 [0,1,0,0,0,0|1,0,2]=4 133 B14R1.62 CCCCCCCC1CCCC1=NO TS18493 [0,0,0,1,0,0|1,0,2]=4 134 B14R1.123 CCCCCCCCC1CCCCC1 TS18336 [0,0,0,1,0,0|1,0,1]=3 135 B14R1.216 CCCCCC=CCC1CCCC1=O TS51910 [0,0,0,1,0,0|0,0,2]=3 136 B14R1.216 CCCCCCCCN1CCCC1=O TS60154 [0,0,0,1,0,0|1,0,0]=2 137 B14R1.221 CCCCCCCCCCC[C@@H]1CO1 TS54099 [0,0,0,1,0,0|0,0,2]=3 138 B14R1.247 C1CCCCCC(=O)C(CCCC1)Cl TS22148 [0,0,0,1,0,0|1,0,0]=2 139 B14R1.247 C1CCCCCC(C(CCCC1)O)O TS37959 [0,0,0,1,0,0|1,0,2]=4 140 B14R1.247 C1CCCCC[C@@H]([C@H](CCCC1)O)O TS37955 [0,0,0,1,0,0|1,0,2]=4 141 B14R1.247 C1CCCCC[C@H]([C@@H](CCCC1)O)O TS37963 [0,0,0,1,0,0|1,0,2]=4 142 B14R1.845 CNC1CCCCCCCCCCC1 TS18501 [0,0,0,1,0,0|2,0,0]=3 143 B14R1.845 COC1CCCCCCCCCCC1 TS54100 [0,0,0,1,0,0|2,0,0]=3 144 B14R1.2874 C1CCCCCCCCCCCCC1 TS18333 [0,0,0,1,0,0|1,0,1]=3 145 B14R1.4408 C1CCCCCC(=O)NCCCCC1 TS18492 [0,0,0,1,0,0|1,0,0]=2 146 B11R0.3 C(CCCCCBr)CCCCBr TS58940 [2,0,0,0,0,0|2,0,0]=4 147 B11R0.3 C(CCCCCBr)CCCCO TS34605 [2,0,0,0,0,0|1,0,1]=4 148 B11R0.3 C(CCCCCCl)CCCCCl TS21104 [2,0,0,0,0,0|2,0,0]=4 149 B11R0.3 C(CCCCCCl)CCCCO TS51578 [2,0,0,0,0,0|1,0,1]=4 150 B11R0.3 C(CCCCCI)CCCCI TS93403 [2,0,0,0,0,0|2,0,0]=4 151 B11R0.3 C(CCCCCN)CCCCN TS45546 [2,0,0,0,0,0|2,0,0]=4 152 B11R0.3 C(CCCCCO)CCCCN TS45677 [2,0,0,0,0,0|1,0,1]=4 153 B11R0.3 C(CCCCCO)CCCCO TS07870 [2,0,0,0,0,0|1,0,1]=4 154 B11R0.3 C(CCCCCS)CCCCS TS20278 [2,0,0,0,0,0|1,1,0]=4 155 B11R0.3 C=CCCCCCCCCC=O TS44919 [2,0,0,0,0,0|0,0,2]=4 156 B11R0.3 C=CCCCCCCCCCBr TS25359 [2,0,0,0,0,0|1,0,1]=4 157 B11R0.3 C=CCCCCCCCCCCl TS16102 [2,0,0,0,0,0|1,0,1]=4 158 B11R0.3 C=CCCCCCCCCCN TS45037 [2,0,0,0,0,0|1,0,1]=4 159 B11R0.3 C=CCCCCCCCCCO TS12885 [2,0,0,0,0,0|1,0,1]=4 160 B11R0.3 CCC=CCCCCCCC=O TS44926 [2,0,0,0,0,0|0,0,2]=4 161 B11R0.3 CCCCCC#CCCCCC TS43148 [2,0,0,0,0,0|0,0,2]=4 162 B11R0.3 CCCCCCC#CCCCC TS43144 [2,0,0,0,0,0|0,0,2]=4 163 B11R0.3 CCCCCCCCC=CC=O TS44921 [2,0,0,0,0,0|0,0,2]=4 164 B11R0.3 CCCCCCCCCCC#C TS43145 [2,0,0,0,0,0|0,0,2]=4 165 B11R0.3 CCCCCCCCCCC=C TS12600 [2,0,0,0,0,0|0,0,1]=3 166 B11R0.3 CCCCCCCCCCC=O TS12882 [2,0,0,0,0,0|0,0,0]=2 167 B11R0.3 CCCCCCCCCCCC TS45211 [2,0,0,0,0,0|0,0,0]=2 168 B11R0.3 CCCCCCCCCCCCl TS51219 [2,0,0,0,0,0|1,0,0]=3 169 B11R0.3 CCCCCCCCCCCF TS13565 [2,0,0,0,0,0|1,0,0]=3 170 B11R0.3 CCCCCCCCCCCN TS45371 [2,0,0,0,0,0|1,0,0]=3 171 B11R0.3 CCCCCCCCCCCO TS45537 [2,0,0,0,0,0|0,0,1]=3 172 B11R0.3 CCCCCCCCCCCS TS50816 [2,0,0,0,0,0|0,1,0]=3 173 B11R0.3 CCCCCCCCCCNC TS45367 [2,0,0,0,0,0|1,0,0]=3 174 B11R0.3 CCCCCCCCCCOC TS45542 [2,0,0,0,0,0|1,0,0]=3 175 B11R0.3 CCCCCCCCCC[Mg]Br TS27354 [2,0,0,0,0,0|2,0,0]=4 176 B11R0.3 CCCCCCCCCOC=O TS13219 [2,0,0,0,0,0|1,0,0]=3 177 B11R0.3 CCCCCCCCNCCN TS13245 [2,0,0,0,0,0|2,0,0]=4 178 B11R0.3 CCCCCCCCOCC=C TS45199 [2,0,0,0,0,0|1,0,1]=4 179 B11R0.3 CCCCCCCCOCC=O TS45516 [2,0,0,0,0,0|1,0,0]=3 180 B11R0.3 CCCCCCCCOCCO TS45839 [2,0,0,0,0,0|1,0,1]=4 181 B11R0.3 CCCCCCCCSCCCl TS43568 [2,0,0,0,0,0|2,0,0]=4 182 B11R0.3 CCCCCCCCSCCO TS51196 [2,0,0,0,0,0|1,0,1]=4 183 B11R0.3 CCCCCSSCCCCC TS20279 [2,0,0,0,0,0|2,0,0]=4 184 B11R0.3 CCCCOCCOCCCC TS45833 [2,0,0,0,0,0|2,0,0]=4 185 B11R0.3 CCNCCCCCCNCC TS45547 [2,0,0,0,0,0|2,0,0]=4 186 B13R0.2 CCCCCCCCCC(=O)CCC TS54094 [1,1,0,0,0,0|0,0,2]=4 187 B13R0.2 CCCCCCCCCC(CCC)O TS19082 [1,1,0,0,0,0|0,0,1]=3 188 B13R0.54 C(CCCCCBr)CCCCC(=O)O TS68927 [1,1,0,0,0,0|1,0,0]=3 189 B13R0.54 C(CCCCCN)CCCCC(=O)O TS19255 [1,1,0,0,0,0|1,0,0]=3 190 B13R0.54 C(CCCCCO)CCCCC(=O)O TS19440 [1,1,0,0,0,0|1,0,0]=3 191 B13R0.54 C(CCCCCS)CCCCC(=O)O TS22494 [1,1,0,0,0,0|1,0,0]=3 192 B13R0.54 C=CCCCCCCCCCC(=O)O TS18691 [1,1,0,0,0,0|0,0,2]=4 193 B13R0.54 CC(C)CCCCCCCCCCO TS19085 [1,1,0,0,0,0|0,0,1]=3 194 B13R0.54 CCCCCCC=CCCCC(=O)O TS18694 [1,1,0,0,0,0|0,0,2]=4 195 B13R0.54 CCCCCCCCCC=CC(=O)O TS54086 [1,1,0,0,0,0|0,0,2]=4 196 B13R0.54 CCCCCCCCCCCC(=C)C TS18337 [1,1,0,0,0,0|0,0,1]=3 197 B13R0.54 CCCCCCCCCCCC(=O)C TS18716 [1,1,0,0,0,0|0,0,0]=2 198 B13R0.54 CCCCCCCCCCCC(=O)Cl TS49534 [1,1,0,0,0,0|0,0,0]=2 199 B13R0.54 CCCCCCCCCCCC(=O)N TS37777 [1,1,0,0,0,0|0,0,0]=2 200 B13R0.54 CCCCCCCCCCCC(=O)O TS19259 [1,1,0,0,0,0|0,0,0]=2 201 B13R0.54 CCCCCCCCCCCC(=O)O TS37977 [1,1,0,0,0,0|0,0,0]=2 202 B13R0.54 CCCCCCCCCCCC(=O)O TS68181 [1,1,0,0,0,0|0,0,0]=2 203 B13R0.54 CCCCCCCCCCCC(=O)O TS75367 [1,1,0,0,0,0|0,0,0]=2 204 B13R0.54 CCCCCCCCCCCC(=O)O TS93845 [1,1,0,0,0,0|0,0,0]=2 205 B13R0.54 CCCCCCCCCCCC(=O)O TS94033 [1,1,0,0,0,0|0,0,0]=2 206 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS23524 [1,1,0,0,0,0|0,0,0]=2 207 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS57143 [1,1,0,0,0,0|0,0,0]=2 208 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS69918 [1,1,0,0,0,0|0,0,0]=2 209 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS70296 [1,1,0,0,0,0|0,0,0]=2 210 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS73169 [1,1,0,0,0,0|0,0,0]=2 211 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS75123 [1,1,0,0,0,0|0,0,0]=2 212 B13R0.54 CCCCCCCCCCCC(=O)[O-] TS82656 [1,1,0,0,0,0|0,0,0]=2 213 B13R0.54 CCCCCCCCCCCC(C)Br TS29897 [1,1,0,0,0,0|0,0,1]=3 214 B13R0.54 CCCCCCCCCCCC(C)C TS54110 [1,1,0,0,0,0|0,0,1]=3 215 B13R0.54 CCCCCCCCCCCC(C)N TS37784 [1,1,0,0,0,0|0,0,1]=3 216 B13R0.54 CCCCCCCCCCCC(C)O TS19079 [1,1,0,0,0,0|0,0,1]=3 217 B13R0.54 CCCCCCCCCCOC(=O)Cl TS49889 [1,1,0,0,0,0|1,0,0]=3 218 B13R0.66 CCCCCCCCC(=C)CCCC TS18338 [1,1,0,0,0,0|0,0,2]=4 219 B13R0.66 CCCCCCCCC(CCCC)O TS19080 [1,1,0,0,0,0|0,0,1]=3 220 B13R0.66 CCCCCCCCS(=O)CCCCl TS57178 [1,1,0,0,0,0|2,0,0]=4 221 B13R0.147 CCCCCCCCCCC(C)CC TS54109 [1,1,0,0,0,0|0,0,1]=3 222 B13R0.147 CCCCCCCCCCC(CC)O TS19081 [1,1,0,0,0,0|0,0,1]=3 223 B13R0.147 CCCCCCCCCCC(CCl)Cl TS26351 [1,1,0,0,0,0|1,0,0]=3 224 B13R0.147 CCCCCCCCCCC(CO)O TS19457 [1,1,0,0,0,0|0,0,1]=3 225 B13R0.147 CCCCCCCCCC[C@@H](CO)O TS19459 [1,1,0,0,0,0|0,0,1]=3 226 B13R0.147 CCCCCCCCCC[C@H](CO)O TS19458 [1,1,0,0,0,0|0,0,1]=3 227 B13R0.165 CCCCCCC(=C)CCCCCC TS18334 [1,1,0,0,0,0|0,0,2]=4 228 B13R0.165 CCCCCCC(=O)CCCCCC TS54096 [1,1,0,0,0,0|0,0,2]=4 229 B13R0.165 CCCCCCC(CCCCCC)O TS19084 [1,1,0,0,0,0|0,0,1]=3 230 B13R0.165 CCCCCCN(C)CCCCCC TS37786 [1,1,0,0,0,0|1,0,1]=4 231 B13R0.338 CCCCCCCC(CCCCC)O TS19083 [1,1,0,0,0,0|0,0,1]=3 232 B15R0.133 CCCCCCCC(=O)CCCCCCC TS24254 [0,2,0,0,0,0|1,0,1]=4 233 B15R0.133 CCCCCCCS(=O)CCCCCCC TS27504 [0,2,0,0,0,0|1,0,1]=4 234 B15R0.149 CCCCCCCCC(=O)CCCCCC TS24253 [0,2,0,0,0,0|1,0,1]=4 235 B15R0.322 CCCCCCCCCC(=O)CCCCC TS24256 [0,2,0,0,0,0|1,0,1]=4 236 B15R0.81 CCCCCCCCCCCCC(=O)CC TS24257 [0,2,0,0,0,0|0,0,0]=2 237 B15R0.81 CCCCCCCCCCCCC(=O)OC TS52716 [0,2,0,0,0,0|0,0,0]=2 238 B15R0.81 CCCCCCCCCCCCC(C)CC TS24265 [0,2,0,0,0,0|1,0,1]=4 239 B15R0.81 CCCCCCCCCCCCC(CCl)Cl TS30414 [0,2,0,0,0,0|1,0,1]=4 240 B15R0.81 CCCCCCCCCCCCC(CO)O TS24957 [0,2,0,0,0,0|0,0,2]=4 241 B15R0.81 CCCCCCCCCCCC[C@@H](CO)O TS53078 [0,2,0,0,0,0|0,0,2]=4 242 B15R0.81 CCCCCCCCCCCC[C@H](CO)O TS24958 [0,2,0,0,0,0|0,0,2]=4 243 B15R0.81 CCCCCCCCCCCOC(=O)C=C TS52394 [0,2,0,0,0,0|1,0,0]=3 244 B15R0.81 CCCCCCCCCCOCC(CN)O TS25107 [0,2,0,0,0,0|1,0,1]=4 245 B15R0.81 COC(=O)CCCCCCCCCCC#N TS52208 [0,2,0,0,0,0|1,0,1]=4 246 B15R0.84 CCCCCCCCCCCC(C(=O)O)Br TS58378 [0,2,0,0,0,0|0,0,0]=2 247 B15R0.84 CCCCCCCCCCCC(C(=O)O)O TS53062 [0,2,0,0,0,0|0,0,0]=2 248 B15R0.247 CCC(C)CCCCCCCCCC(=O)O TS52721 [0,2,0,0,0,0|0,0,0]=2 249 B15R0.247 COC(=O)CCCCCCCCCC(=O)O TS53039 [0,2,0,0,0,0|1,0,1]=4 250 B15R0.253 CCCCCCCCCCCC(OC)OC TS24956 [0,2,0,0,0,0|2,0,0]=4 251 B15R0.366 CCCCCCCCCCCC(=O)OC=C TS52399 [0,2,0,0,0,0|1,0,1]=4 252 B15R0.366 CCCCCCCCCCCC(CCC)O TS24594 [0,2,0,0,0,0|1,0,1]=4 253 B15R0.70 C#CCCCCCCCCCCCCCO TS50542 [0,2,0,0,0,0|0,0,2]=4 254 B15R0.70 C(CCCCCCC#N)CCCCCC#N TS49855 [0,2,0,0,0,0|1,0,1]=4 255 B15R0.70 C(CCCCCCCBr)CCCCCCBr TS79320 [0,2,0,0,0,0|1,0,1]=4 256 B15R0.70 C(CCCCCCCBr)CCCCCCO TS35606 [0,2,0,0,0,0|0,0,2]=4 257 B15R0.70 C(CCCCCCCO)CCCCCCO TS53079 [0,2,0,0,0,0|0,0,2]=4 258 B15R0.70 CCCCC#CCCCCCCCCC#C TS49502 [0,2,0,0,0,0|1,0,1]=4 259 B15R0.70 CCCCCCCC#CCCCCCCC TS23553 [0,2,0,0,0,0|1,0,1]=4 260 B15R0.70 CCCCCCCCCCCCCCC#C TS23552 [0,2,0,0,0,0|1,0,1]=4 261 B15R0.70 CCCCCCCCCCCCCCC#N TS50359 [0,2,0,0,0,0|1,0,1]=4 262 B15R0.70 CCCCCCCCCCCCCCC=C TS23899 [0,2,0,0,0,0|1,0,0]=3 263 B15R0.70 CCCCCCCCCCCCCCC=O TS24250 [0,2,0,0,0,0|0,0,0]=2 264 B15R0.70 CCCCCCCCCCCCCCCBr TS58178 [0,2,0,0,0,0|1,0,1]=4 265 B15R0.70 CCCCCCCCCCCCCCCC TS24264 [0,2,0,0,0,0|1,0,1]=4 266 B15R0.70 CCCCCCCCCCCCCCCN TS24410 [0,2,0,0,0,0|1,0,1]=4 267 B15R0.70 CCCCCCCCCCCCCCCO TS24593 [0,2,0,0,0,0|0,0,2]=4 268 B15R0.70 CCCCCCCCCCCCCCCS TS62076 [0,2,0,0,0,0|0,1,1]=4 269 B15R0.70 CCCCCCCCCCCCCCSC TS62075 [0,2,0,0,0,0|0,1,1]=4 270 B15R0.70 CCCCCCCCCCCCOCCO TS24954 [0,2,0,0,0,0|0,0,2]=4 271 B15R0.70 CCCCCCCCCCCCSCC#N TS26724 [0,2,0,0,0,0|1,0,1]=4 272 B15R0.70 CCCCCCCSSCCCCCCC TS68646 [0,2,0,0,0,0|1,0,1]=4 273 B15R0.70 CCCCCCNCCNCCCCCC TS24599 [0,2,0,0,0,0|1,0,1]=4 274 B15R0.70 CCCCNCCCCCCNCCCC TS24600 [0,2,0,0,0,0|1,0,1]=4 275 B15R0.164 B(O)(O)OCCCCCCCCCCCC TS24841 [0,2,0,0,0,0|1,0,1]=4 276 B15R0.164 CC(=O)OCCCCCCCCCCC=C TS52396 [0,2,0,0,0,0|0,0,2]=4 277 B15R0.164 CCC=CCCCCCCCCOC(=O)C TS52402 [0,2,0,0,0,0|0,0,2]=4 278 B15R0.164 CCCC=CCCCCCCCOC(=O)C TS52391 [0,2,0,0,0,0|0,0,2]=4 279 B15R0.164 CCCC=CCCCCCCCOC(=O)C TS52398 [0,2,0,0,0,0|0,0,2]=4 280 B15R0.164 CCCCC=CCCCCCCCC(=O)O TS52383 [0,2,0,0,0,0|0,0,1]=3 281 B15R0.164 CCCCC=CCCCCCCCC(=O)O TS52385 [0,2,0,0,0,0|0,0,1]=3 282 B15R0.164 CCCCCCC=CCCCCOC(=O)C TS52397 [0,2,0,0,0,0|0,0,2]=4 283 B15R0.164 CCCCCCCCCC=CCOC(=O)C TS52386 [0,2,0,0,0,0|0,0,2]=4 284 B15R0.164 CCCCCCCCCCCCCC(=C)C TS23898 [0,2,0,0,0,0|1,0,0]=3 285 B15R0.164 CCCCCCCCCCCCCC(=O)Cl TS27545 [0,2,0,0,0,0|0,0,0]=2 286 B15R0.164 CCCCCCCCCCCCCC(=O)N TS24401 [0,2,0,0,0,0|0,0,0]=2 287 B15R0.164 CCCCCCCCCCCCCC(=O)O TS53074 [0,2,0,0,0,0|0,0,0]=2 288 B15R0.164 CCCCCCCCCCCCCC(=O)O TS65246 [0,2,0,0,0,0|0,0,0]=2 289 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] TS62893 [0,2,0,0,0,0|0,0,0]=2 290 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] TS72380 [0,2,0,0,0,0|0,0,0]=2 291 B15R0.164 CCCCCCCCCCCCCC(C)C TS24263 [0,2,0,0,0,0|1,0,1]=4 292 B15R0.164 CCCCCCCCCCCCCC(C)O TS24595 [0,2,0,0,0,0|0,0,2]=4 293 B15R0.164 CCCCCCCCCCCCCN(C)C TS24409 [0,2,0,0,0,0|1,0,1]=4 294 B15R0.164 CCCCCCCCCCCCNC(=N)N TS35087 [0,2,0,0,0,0|1,0,0]=3 295 B15R0.164 CCCCCCCCCCCCOC(=O)C TS52722 [0,2,0,0,0,0|0,0,0]=2 296 B15R0.164 CCCCCCCCCCCCOC(=O)Cl TS62665 [0,2,0,0,0,0|0,0,0]=2 297 B15R0.164 CCCCCCCCCCCCSC(=N)N TS34267 [0,2,0,0,0,0|1,0,0]=3 298 B15R0.164 CCCCCCCCCCCSCC(=O)O TS62339 [0,2,0,0,0,0|0,0,0]=2 299 B15R0.164 CCCCCCCCCCOCCC(=O)O TS53063 [0,2,0,0,0,0|0,0,0]=2 300 B15R0.164 CCCOCCCCCCCCCC(=O)O TS53056 [0,2,0,0,0,0|0,0,0]=2 301 B15R0.164 CNCCCCCCCCCCCC(=O)O TS52890 [0,2,0,0,0,0|0,0,0]=2 302 B15R0.164 COCCCCCCCCCCCC(=O)O TS53064 [0,2,0,0,0,0|0,0,0]=2 303 B15R0.69 CCCCCCCCCCC(CC(=O)O)O TS53061 [0,2,0,0,0,0|0,0,0]=2 304 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O TS24925 [0,2,0,0,0,0|1,0,1]=4 305 B15R0.222 C(CCCCCC(=O)Cl)CCCCC(=O)Cl TS30391 [0,2,0,0,0,0|1,0,1]=4 306 B15R0.222 C(CCCCCC(=O)O)CCCCC(=O)O TS53033 [0,2,0,0,0,0|1,0,1]=4 307 B15R0.222 CC(C)CCCCCCCCCCC(=O)O TS52718 [0,2,0,0,0,0|0,0,0]=2 308 B15R0.252 CCCCCCCCCCCCN(=O)(C)C TS24764 [0,2,0,0,0,0|1,0,0]=3 309 B15R0.252 CCCCCCCCCCCCP(=O)(O)O TS62872 [0,2,0,0,0,0|1,0,0]=3 310 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl TS60209 [0,2,0,0,0,0|1,0,0]=3 311 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] TS74279 [0,2,0,0,0,0|1,0,0]=3 312 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C TS29978 [0,2,0,0,0,0|2,0,0]=4 313 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C TS66161 [0,2,0,0,0,0|2,0,0]=4 314 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C TS76268 [0,2,0,0,0,0|2,0,0]=4 315 B15R0.252 CCCCCCCCCCCC[Si](C)(C)Cl TS68674 [0,2,0,0,0,0|1,1,0]=4 316 B15R0.252 CCCCCCCCCCCC[Si](C)(Cl)Cl TS34557 [0,2,0,0,0,0|1,1,0]=4 317 B15R0.252 CCCCCCCCCCCC[Si](Cl)(Cl)Cl TS59225 [0,2,0,0,0,0|1,1,0]=4 318 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] TS74478 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.28 CCCCCCCC1CCCCC1 TS15044 [1,0,0,1,0,0|0,0,1]=3 320 B13R1.119 CCCCCCCCC1CCCC1 TS83435 [1,0,0,1,0,0|0,0,1]=3 321 B13R1.279 C1CCCCCC(=O)CCCCC1 TS48333 [1,0,0,1,0,0|0,0,0]=2 322 B13R1.279 C1CCCCCC(CCCCC1)Br TS62423 [1,0,0,1,0,0|1,0,0]=3 323 B13R1.279 C1CCCCCC(CCCCC1)N TS15173 [1,0,0,1,0,0|1,0,0]=3 324 B13R1.279 C1CCCCCC(CCCCC1)O TS48634 [1,0,0,1,0,0|0,0,1]=3 325 B13R1.279 C1CCCCCOC(=O)CCCC1 TS15332 [1,0,0,1,0,0|1,0,0]=3 326 B13R1.279 C=C1CCCCCCCCCCC1 TS47981 [1,0,0,1,0,0|0,0,1]=3 327 B13R1.654 CCCCCCCC1CCCC1=O TS48328 [1,0,0,1,0,0|0,0,0]=2 328 B13R1.654 CCCCCCCC1CCOC1=O TS15321 [1,0,0,1,0,0|1,0,0]=3 329 B13R1.654 CCCCCCCN1CCCC1=O TS48467 [1,0,0,1,0,0|1,0,0]=3 330 B13R1.659 CCCCCCCCCCC1CO1 TS48630 [1,0,0,1,0,0|0,0,1]=3 331 B13R1.659 CCCCCCCCCC[C@@H]1CO1 TS48641 [1,0,0,1,0,0|0,0,1]=3 332 B13R1.2883 C1CCCCCCCCCCCC1 TS15043 [1,0,0,1,0,0|0,0,1]=3 333 B15R1.34 CCCCCCCCCC1CCC(=O)O1 TS44226 [0,1,0,1,0,0|0,0,0]=2 334 B15R1.8153 C1CCCCC(C(=O)C(CCCC1)Br)Br TS64209 [0,1,0,1,0,0|1,0,0]=3 335 B15R1.15405 CC1(CCCCCCCCCCC1)OC TS44243 [0,1,0,1,0,0|2,0,0]=4 336 B15R1.35 CCCCCCCCCC1CCCCC1 TS43883 [0,1,0,1,0,0|1,0,1]=4 337 B15R1.2988 C1CCCCCCC=CCCCCCC1 TS20647 [0,1,0,1,0,0|1,0,0]=3 338 B15R1.2988 C1CCCCCCCCCCCCCC1 TS43880 [0,1,0,1,0,0|1,0,1]=4 339 B15R1.3873 CCOC1CCCCCCCCCCC1 TS44241 [0,1,0,1,0,0|1,0,1]=4 340 B15R1.9199 CCCCCCCCCCCCC1CO1 TS44244 [0,1,0,1,0,0|0,0,2]=4 341 B15R1.9199 CCCCCCCCCCCC[C@@H]1CO1 TS44247 [0,1,0,1,0,0|0,0,2]=4 342 B15R1.5365 CCCCCCCCC1CC(=O)OC1=O TS44211 [0,1,0,1,0,0|1,0,1]=4 343 B15R1.1188 CCCCCC1COCCC1OC(=O)C TS21733 [0,1,0,1,0,0|2,0,0]=4 344 B15R2.38 C1CCN(CC1)CC2CCCCC2=O TS25140 [0,0,0,2,0,0|1,0,0]=3 345 B15R2.2195 C1CCC(CC1)CCC2CCCCC2 TS17948 [0,0,0,2,0,0|1,0,1]=4 346 B15R2.18471 CCCCC1CCCC2C1CCCC2 TS16331 [0,0,0,2,0,0|1,0,1]=4