0 B11R0.148 B(C=CCCCCCCC)(O)O TS12749 [0,0,0,0,0,0|1,0,1]=2 1 B11R0.148 C(CCCCBr)CCCC(=O)O TS26010 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 C(CCCCO)CCCC(=O)O TS45811 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.148 C=CCCCCCCCC(=O)O TS12845 [0,0,0,0,0,0|0,0,4]=4 4 B11R0.148 CCCCC=CCCCC(=O)O TS45176 [0,0,0,0,0,0|0,0,4]=4 5 B11R0.148 CCCCCC=CCCC(=O)O TS45160 [0,0,0,0,0,0|0,0,4]=4 6 B11R0.148 CCCCCCCC=CC(=O)O TS12863 [0,0,0,0,0,0|0,0,0]=0 7 B11R0.148 CCCCCCCCCC(=C)C TS12605 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.148 CCCCCCCCCC(=O)C TS45200 [0,0,0,0,0,0|1,0,2]=3 9 B11R0.148 CCCCCCCCCC(=O)N TS13057 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.148 CCCCCCCCCC(=O)O TS45503 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.148 CCCCCCCCCC(=O)[O-] TS69521 [0,0,0,0,0,0|0,0,3]=3 12 B11R0.148 CCCCCCCCCC(=O)[O-] TS84361 [0,0,0,0,0,0|0,0,3]=3 13 B11R0.148 CCCCCCCCCC(=O)[O-] TS92951 [0,0,0,0,0,0|0,0,3]=3 14 B11R0.148 CCCCCCCCNC(=S)N TS50807 [0,0,0,0,0,0|2,1,1]=4 15 B11R0.148 CCCCCCCCOC(=O)C TS45519 [0,0,0,0,0,0|2,0,1]=3 16 B11R0.148 CCCCCCCCOC(=O)Cl TS51574 [0,0,0,0,0,0|2,0,1]=3 17 B11R0.148 CCCCOCCOCC(=O)O TS46093 [0,0,0,0,0,0|2,0,1]=3 18 B11R0.148 COCCOCCOCC(=O)O TS14166 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.4 B(C=CCCCCCC)(O)O TS41569 [1,0,0,0,0,0|1,0,1]=3 20 B10R0.4 B(CCCCCCCC)(O)O TS41838 [1,0,0,0,0,0|1,0,2]=4 21 B10R0.4 C#CCCCCCCC(=O)O TS29475 [1,0,0,0,0,0|0,0,3]=4 22 B10R0.4 C(CCCC(=O)O)CCCBr TS01319 [1,0,0,0,0,0|1,0,1]=3 23 B10R0.4 C(CCCC(=O)O)CCCN TS11174 [1,0,0,0,0,0|1,0,1]=3 24 B10R0.4 C(CCCC(=O)O)CCCO TS11268 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.4 C(CCNCCC(=O)O)CN TS68144 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.4 CC(=O)OCCCCCCBr TS50269 [1,0,0,0,0,0|3,0,0]=4 27 B10R0.4 CCCCCC=CCC(=O)O TS41642 [1,0,0,0,0,0|0,0,2]=3 28 B10R0.4 CCCCCCC#CC(=O)O TS41396 [1,0,0,0,0,0|0,0,2]=3 29 B10R0.4 CCCCCCC=CC(=O)C TS10484 [1,0,0,0,0,0|1,0,0]=2 30 B10R0.4 CCCCCCC=CC(=O)O TS41637 [1,0,0,0,0,0|0,0,0]=1 31 B10R0.4 CCCCCCCCC(=O)C TS10747 [1,0,0,0,0,0|1,0,1]=3 32 B10R0.4 CCCCCCCCC(=O)Cl TS46204 [1,0,0,0,0,0|1,0,1]=3 33 B10R0.4 CCCCCCCCC(=O)N TS10891 [1,0,0,0,0,0|1,0,1]=3 34 B10R0.4 CCCCCCCCC(=O)O TS11031 [1,0,0,0,0,0|0,0,1]=2 35 B10R0.4 CCCCCCCCC(=O)[O-] TS14628 [1,0,0,0,0,0|0,0,2]=3 36 B10R0.4 CCCCCCCCC(C)O TS41974 [1,0,0,0,0,0|1,0,2]=4 37 B10R0.4 CCCCCCCC[C@H](C)O TS41983 [1,0,0,0,0,0|1,0,2]=4 38 B10R0.4 CCCCCCCC[N+](=O)[O-] TS11163 [1,0,0,0,0,0|1,0,2]=4 39 B10R0.4 CCCCCCCNC(=O)N TS41954 [1,0,0,0,0,0|2,0,0]=3 40 B10R0.4 CCCCCCCNC(=S)N TS13566 [1,0,0,0,0,0|2,1,0]=4 41 B10R0.4 CCCCCCCOC(=O)Cl TS47643 [1,0,0,0,0,0|2,0,0]=3 42 B10R0.4 CCCCOCCOC(=O)C TS11278 [1,0,0,0,0,0|3,0,0]=4 43 B10R0.71 CCC=CCCCCCCO TS10743 [1,0,0,0,0,0|2,0,1]=4 44 B10R0.71 CCCCCC=CC=CC=C TS40931 [1,0,0,0,0,0|1,0,2]=4 45 B10R0.71 CCCCCC=CC=CC=O TS41184 [1,0,0,0,0,0|0,0,2]=3 46 B10R0.71 CCCCCC=CC=CCO TS41441 [1,0,0,0,0,0|0,0,3]=4 47 B10R0.71 CCCCCCCC#CCO TS10482 [1,0,0,0,0,0|0,0,3]=4 48 B10R0.71 CCCCCCCC=CC=O TS41440 [1,0,0,0,0,0|0,0,0]=1 49 B10R0.71 CCCCCCCC=CCO TS41687 [1,0,0,0,0,0|0,0,1]=2 50 B10R0.71 CCCCCCCCCC=C TS10512 [1,0,0,0,0,0|1,0,2]=4 51 B10R0.71 CCCCCCCCCC=O TS09040 [1,0,0,0,0,0|0,0,2]=3 52 B10R0.71 CCCCCCCCCCO TS41975 [1,0,0,0,0,0|0,0,3]=4 53 B10R0.71 CCCCCCCCN=C=O TS10607 [1,0,0,0,0,0|1,0,2]=4 54 B10R0.71 CCCCCCCCOC=O TS11019 [1,0,0,0,0,0|1,0,1]=3 55 B10R0.71 CCCCCCCOCCO TS11305 [1,0,0,0,0,0|1,0,2]=4 56 B12R0.4 CCCCCCCC(C)CC(=O)O TS15679 [0,1,0,0,0,0|0,0,2]=3 57 B12R0.4 CCCCCCCC(C)OC(=O)C TS48951 [0,1,0,0,0,0|2,0,1]=4 58 B12R0.4 CCCCCCCC(CC(=O)O)O TS50773 [0,1,0,0,0,0|0,0,2]=3 59 B12R0.4 CCCCCCOC(=O)CC(=O)C TS15650 [0,1,0,0,0,0|2,0,1]=4 60 B12R0.234 C#CCCCCCCCCC(=O)O TS15017 [0,1,0,0,0,0|0,0,3]=4 61 B12R0.234 C(CCCC=CC(=O)O)CCCO TS15648 [0,1,0,0,0,0|0,0,0]=1 62 B12R0.234 C(CCCCC(=O)O)CCCCBr TS28167 [0,1,0,0,0,0|0,0,2]=3 63 B12R0.234 C(CCCCC(=O)O)CCCCO TS50772 [0,1,0,0,0,0|0,0,2]=3 64 B12R0.234 C=CCCCCCCCCC(=O)O TS34607 [0,1,0,0,0,0|0,0,3]=4 65 B12R0.234 CC#CCCCCCCCC(=O)O TS48314 [0,1,0,0,0,0|0,0,3]=4 66 B12R0.234 CCCCCCC=CCOC(=O)C TS15324 [0,1,0,0,0,0|1,0,2]=4 67 B12R0.234 CCCCCCCCC=CC(=O)O TS48605 [0,1,0,0,0,0|0,0,0]=1 68 B12R0.234 CCCCCCCCCCC(=O)C TS48629 [0,1,0,0,0,0|1,0,2]=4 69 B12R0.234 CCCCCCCCCCC(=O)Cl TS38726 [0,1,0,0,0,0|1,0,2]=4 70 B12R0.234 CCCCCCCCCCC(=O)O TS15677 [0,1,0,0,0,0|0,0,2]=3 71 B12R0.234 CCCCCCCCCOC(=O)C TS48960 [0,1,0,0,0,0|1,0,2]=4 72 B12R0.234 CCCCCCCCCOC(=O)Cl TS20294 [0,1,0,0,0,0|1,0,2]=4 73 B12R0.248 CCCCCC=CC=CC(=O)OC TS15018 [0,1,0,0,0,0|0,0,2]=3 74 B12R0.248 CCCCCCCC=CC(=O)OC TS48606 [0,1,0,0,0,0|0,0,0]=1 75 B12R0.248 CCCCCCCCCC(=O)CC TS15346 [0,1,0,0,0,0|1,0,2]=4 76 B12R0.248 CCCCCCCCCC(=O)OC TS48954 [0,1,0,0,0,0|0,0,2]=3 77 B12R0.248 CCCCCCCCOC(=O)C=C TS48619 [0,1,0,0,0,0|2,0,1]=4 78 B12R0.248 CCCCCCCCOC(=O)CBr TS28166 [0,1,0,0,0,0|2,0,1]=4 79 B12R0.248 CCCCCCCCOC(=O)CN TS23756 [0,1,0,0,0,0|2,0,1]=4 80 B12R0.248 COC(=O)CCCCCCCCO TS50771 [0,1,0,0,0,0|1,0,2]=4 81 B12R0.251 CCCCCCCCC(=C(F)F)F TS17908 [0,1,0,0,0,0|2,0,1]=4 82 B12R0.251 CCCCCCCCC(C(=O)O)Br TS28165 [0,1,0,0,0,0|0,0,2]=3 83 B12R0.251 CCCCCCCCC(C(=O)O)N TS15845 [0,1,0,0,0,0|0,0,2]=3 84 B12R0.251 CCCCCCCCC(C)C(=O)O TS15682 [0,1,0,0,0,0|0,0,2]=3 85 B12R0.251 CCCCCCCC[C@@H](C(=O)O)N TS15840 [0,1,0,0,0,0|0,0,2]=3 86 B12R0.251 CCCCCCCC[C@H](C(=O)O)N TS15833 [0,1,0,0,0,0|0,0,2]=3 87 B12R0.251 CCCCCCCOC(=O)C(=C)C TS15319 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.7 CCCCCCC1CCC(=O)O1 TS12849 [0,0,0,1,0,0|0,0,2]=3 89 B12R1.28 CCCCCC1CCCC(=O)O1 TS12854 [0,0,0,1,0,0|0,0,2]=3 90 B12R1.28 CCCCCc1cccc(=O)o1 TS12253 [0,0,0,1,0,0|0,0,2]=3 91 B12R1.28 CCCCCc1cccc(c1)O TS42792 [0,0,0,1,0,0|1,0,2]=4 92 B12R1.215 C1CCCCCC(=O)CCCC1 TS44920 [0,0,0,1,0,0|1,0,2]=4 93 B12R1.252 C1CCC(CC1)CCCC(=O)O TS45167 [0,0,0,1,0,0|0,0,2]=3 94 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS13838 [0,0,0,1,0,0|0,0,3]=4 95 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS17479 [0,0,0,1,0,0|0,0,3]=4 96 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS33883 [0,0,0,1,0,0|0,0,3]=4 97 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS43539 [0,0,0,1,0,0|0,0,3]=4 98 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS66513 [0,0,0,1,0,0|0,0,3]=4 99 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS81207 [0,0,0,1,0,0|0,0,3]=4 100 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS82408 [0,0,0,1,0,0|0,0,3]=4 101 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] TS83716 [0,0,0,1,0,0|0,0,3]=4 102 B12R1.252 C1CCC(CC1)NCCC(=O)O TS45330 [0,0,0,1,0,0|1,0,2]=4 103 B12R1.252 C1CNCCC1CCCC(=O)O TS20456 [0,0,0,1,0,0|1,0,2]=4 104 B12R1.283 CCCN1CCCCC1C(=O)O TS45337 [0,0,0,1,0,0|1,0,2]=4 105 B12R1.321 CCCCC1CCCCC(=O)O1 TS12856 [0,0,0,1,0,0|0,0,2]=3 106 B12R1.1335 C1CCCC([BrH]CCC1)C(=O)O TS26014 [0,0,0,1,0,0|1,0,1]=3 107 B9R0.2 B(C=CCCCCC)(O)O TS06634 [2,0,0,0,0,0|1,0,1]=4 108 B9R0.2 C(CCCBr)CCC(=O)Cl TS24416 [2,0,0,0,0,0|2,0,0]=4 109 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [2,0,0,0,0,0|1,0,0]=3 110 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [2,0,0,0,0,0|1,0,0]=3 111 B9R0.2 C(CCCN)CCC(=O)O TS48161 [2,0,0,0,0,0|1,0,0]=3 112 B9R0.2 C(CCCN)CCC(=O)O TS59742 [2,0,0,0,0,0|1,0,0]=3 113 B9R0.2 C(CCCO)CCC(=O)O TS55677 [2,0,0,0,0,0|1,0,0]=3 114 B9R0.2 CCCCC=CCC(=O)O TS37609 [2,0,0,0,0,0|0,0,2]=4 115 B9R0.2 CCCCCC#CC(=O)O TS37382 [2,0,0,0,0,0|0,0,2]=4 116 B9R0.2 CCCCCC=CC(=O)O TS06694 [2,0,0,0,0,0|0,0,0]=2 117 B9R0.2 CCCCCCCC(=C)C TS06520 [2,0,0,0,0,0|2,0,0]=4 118 B9R0.2 CCCCCCCC(=O)C TS06758 [2,0,0,0,0,0|1,0,0]=3 119 B9R0.2 CCCCCCCC(=O)Cl TS11637 [2,0,0,0,0,0|1,0,0]=3 120 B9R0.2 CCCCCCCC(=O)N TS40110 [2,0,0,0,0,0|1,0,0]=3 121 B9R0.2 CCCCCCCC(=O)O TS40219 [2,0,0,0,0,0|0,0,0]=2 122 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [2,0,0,0,0,0|0,0,1]=3 123 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [2,0,0,0,0,0|0,0,1]=3 124 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [2,0,0,0,0,0|0,0,1]=3 125 B9R0.2 CCCCCCOC(=O)C TS40201 [2,0,0,0,0,0|2,0,0]=4 126 B9R0.2 CCCCCCOC(=O)Cl TS11953 [2,0,0,0,0,0|2,0,0]=4 127 B9R0.2 CCCCNCCC(=O)N TS07002 [2,0,0,0,0,0|2,0,0]=4 128 B9R0.2 CCCCNCCC(=O)O TS40320 [2,0,0,0,0,0|1,0,0]=3 129 B9R0.45 C=CCCCCCCCO TS37642 [2,0,0,0,0,0|1,0,1]=4 130 B9R0.45 CCC=CCCC=CC=O TS37213 [2,0,0,0,0,0|0,0,2]=4 131 B9R0.45 CCCCC=CC=CC=O TS37223 [2,0,0,0,0,0|0,0,2]=4 132 B9R0.45 CCCCCCC=CC=O TS37409 [2,0,0,0,0,0|0,0,0]=2 133 B9R0.45 CCCCCCC=CCC TS06528 [2,0,0,0,0,0|1,0,1]=4 134 B9R0.45 CCCCCCC=CCC TS06538 [2,0,0,0,0,0|1,0,1]=4 135 B9R0.45 CCCCCCC=CCO TS37637 [2,0,0,0,0,0|0,0,1]=3 136 B9R0.45 CCCCCCCCC=C TS06521 [2,0,0,0,0,0|0,0,1]=3 137 B9R0.45 CCCCCCCCC=O TS06760 [2,0,0,0,0,0|0,0,1]=3 138 B9R0.45 CCCCCCCCCO TS07020 [2,0,0,0,0,0|0,0,2]=4 139 B9R0.45 CCCCCCCN=C=O TS37514 [2,0,0,0,0,0|1,0,1]=4 140 B9R0.45 CCCCCCOCC=C TS06762 [2,0,0,0,0,0|1,0,1]=4 141 B11R0.2 CCCCCCC(CC(=O)O)O TS45805 [1,1,0,0,0,0|0,0,1]=3 142 B11R0.30 CC(C)CCCCCCC(=O)O TS45506 [1,1,0,0,0,0|0,0,1]=3 143 B11R0.40 CCCCCC=CCC(=O)OC TS12844 [1,1,0,0,0,0|0,0,2]=4 144 B11R0.40 CCCCCCC#CC(=O)OC TS12565 [1,1,0,0,0,0|0,0,2]=4 145 B11R0.40 CCCCCCC=CC(=O)OC TS45171 [1,1,0,0,0,0|0,0,0]=2 146 B11R0.40 CCCCCCCCC(=O)CC TS12886 [1,1,0,0,0,0|1,0,1]=4 147 B11R0.40 CCCCCCCCC(=O)OC TS45510 [1,1,0,0,0,0|0,0,1]=3 148 B11R0.42 CCCCCCCC(C(=O)O)N TS13378 [1,1,0,0,0,0|0,0,1]=3 149 B11R0.42 CCCCCCCC(C(=O)O)O TS45806 [1,1,0,0,0,0|0,0,1]=3 150 B11R0.42 CCCCCCCC(C)C(=O)O TS45498 [1,1,0,0,0,0|0,0,1]=3 151 B11R0.42 CCCCCCC[C@@H](C(=O)O)N TS13377 [1,1,0,0,0,0|0,0,1]=3 152 B11R0.42 CCCCCCC[C@H](C(=O)O)N TS13376 [1,1,0,0,0,0|0,0,1]=3 153 B11R0.42 CCCCSCCC(C(=O)O)N TS51353 [1,1,0,0,0,0|1,0,1]=4 154 B11R0.46 CCCCCC(C)CCC(=O)O TS13225 [1,1,0,0,0,0|0,0,1]=3 155 B11R0.46 CCCCCN(C)CCC(=O)O TS20826 [1,1,0,0,0,0|1,0,1]=4 156 B11R0.159 CCCCCCCCP(=O)(O)O TS17833 [1,1,0,0,0,0|1,0,1]=4 157 B11R0.159 CCCCCCCCS(=O)(=O)O TS17934 [1,1,0,0,0,0|1,0,1]=4 158 B11R0.176 C(CCC(=O)O)CC(CCS)S TS20641 [1,1,0,0,0,0|1,0,1]=4 159 B11R0.3 CCCCCCC=CC=CC=O TS43133 [1,1,0,0,0,0|0,0,1]=3 160 B11R0.3 CCCCCCC=CC=CCO TS44924 [1,1,0,0,0,0|0,0,1]=3 161 B11R0.3 CCCCCCCCC=CC=O TS44921 [1,1,0,0,0,0|0,0,0]=2 162 B11R0.3 CCCCCCCCC=CCO TS12884 [1,1,0,0,0,0|0,0,1]=3 163 B11R0.3 CCCCCCCCCCC=O TS12882 [1,1,0,0,0,0|0,0,2]=4 164 B11R0.3 CCCCCCCCCOC=O TS13219 [1,1,0,0,0,0|0,0,2]=4 165 B11R0.3 CCCCCCCCOCC=O TS45516 [1,1,0,0,0,0|0,0,2]=4 166 B13R0.274 CCCCCCCC(CC(=O)OC)O TS19446 [0,2,0,0,0,0|0,0,2]=4 167 B13R0.335 CCCCCCCCC(C)CC(=O)O TS37966 [0,2,0,0,0,0|0,0,2]=4 168 B13R0.335 CCCCCCCCC(CC(=O)O)O TS19441 [0,2,0,0,0,0|0,0,2]=4 169 B13R0.335 CCCCCCCOC(=O)CC(=O)C TS37949 [0,2,0,0,0,0|1,0,1]=4 170 B13R0.54 C(CCCCCBr)CCCCC(=O)O TS68927 [0,2,0,0,0,0|0,0,2]=4 171 B13R0.54 C(CCCCCN)CCCCC(=O)O TS19255 [0,2,0,0,0,0|0,0,2]=4 172 B13R0.54 C(CCCCCO)CCCCC(=O)O TS19440 [0,2,0,0,0,0|0,0,2]=4 173 B13R0.54 C(CCCCCS)CCCCC(=O)O TS22494 [0,2,0,0,0,0|0,0,2]=4 174 B13R0.54 C=CCCCCCCCCCC(=O)O TS18691 [0,2,0,0,0,0|0,0,2]=4 175 B13R0.54 CCCCCCC=CCCCC(=O)O TS18694 [0,2,0,0,0,0|0,0,2]=4 176 B13R0.54 CCCCCCCC=CCOC(=O)C TS54089 [0,2,0,0,0,0|1,0,0]=3 177 B13R0.54 CCCCCCCCCC=CC(=O)O TS54086 [0,2,0,0,0,0|0,0,0]=2 178 B13R0.54 CCCCCCCCCCCC(=O)O TS19259 [0,2,0,0,0,0|0,0,2]=4 179 B13R0.54 CCCCCCCCCCCC(=O)O TS37977 [0,2,0,0,0,0|0,0,2]=4 180 B13R0.54 CCCCCCCCCCCC(=O)O TS68181 [0,2,0,0,0,0|0,0,2]=4 181 B13R0.54 CCCCCCCCCCCC(=O)O TS75367 [0,2,0,0,0,0|0,0,2]=4 182 B13R0.54 CCCCCCCCCCCC(=O)O TS93845 [0,2,0,0,0,0|0,0,2]=4 183 B13R0.54 CCCCCCCCCCCC(=O)O TS94033 [0,2,0,0,0,0|0,0,2]=4 184 B13R0.147 CCCCCCCCC#CC(=O)OC TS18307 [0,2,0,0,0,0|0,0,2]=4 185 B13R0.147 CCCCCCCCCCC(=O)OC TS37967 [0,2,0,0,0,0|0,0,2]=4 186 B13R0.147 COC(=O)CCCCCCCCCBr TS68925 [0,2,0,0,0,0|0,0,2]=4 187 B13R0.147 COC(=O)CCCCCCCCCO TS19445 [0,2,0,0,0,0|0,0,2]=4 188 B13R0.150 CCCCCCCCCC(C(=O)O)Br TS68926 [0,2,0,0,0,0|0,0,2]=4 189 B13R0.150 CCCCCCCCCC(C(=O)O)O TS19443 [0,2,0,0,0,0|0,0,2]=4 190 B13R0.150 CCCCCCCCCC(C)C(=O)O TS37976 [0,2,0,0,0,0|0,0,2]=4 191 B13R0.154 CCCCCCCC(=O)NCC(=O)O TS93297 [0,2,0,0,0,0|0,0,1]=3 192 B13R0.179 CC(C)CCCCCCCCC(=O)O TS19069 [0,2,0,0,0,0|0,0,2]=4 193 B13R0.202 CCC(C)CCCCCCCC(=O)O TS37972 [0,2,0,0,0,0|0,0,2]=4 194 B13R0.2 CCCCCC=CC=CC(=O)OCC TS53725 [0,2,0,0,0,0|0,0,2]=4 195 B13R0.2 CCCCCCCC=CC(=O)OCC TS54088 [0,2,0,0,0,0|0,0,0]=2 196 B13R0.2 CCCCCCCCCC(=O)OC=C TS54076 [0,2,0,0,0,0|0,0,2]=4 197 B13R0.2 CCCCCCCCCC(=O)OCC TS19068 [0,2,0,0,0,0|0,0,2]=4 198 B13R0.340 CCCCCCCCC(C(=O)OC)O TS19442 [0,2,0,0,0,0|0,0,2]=4 199 B13R0.61 CCCCCCCCC(CC)C(=O)O TS37957 [0,2,0,0,0,0|0,0,2]=4 200 B13R0.413 CCCCCCCCC(C)(C)C(=O)O TS37958 [0,2,0,0,0,0|0,0,2]=4 201 B11R1.24 CCCCC1CCCC(=O)O1 TS10721 [1,0,0,1,0,0|0,0,1]=3 202 B11R1.53 CCN1CCCCC1C(=O)O TS00438 [1,0,0,1,0,0|1,0,1]=4 203 B11R1.53 CCN1CCCCC1C(=O)O TS10863 [1,0,0,1,0,0|1,0,1]=4 204 B11R1.78 CCCCCCC1CC(=O)O1 TS41639 [1,0,0,1,0,0|0,0,1]=3 205 B11R1.86 CC1CCCCC1OC(=O)C TS41647 [1,0,0,1,0,0|2,0,0]=4 206 B11R1.91 C1CCC(CC1)C=CC(=O)O TS41400 [1,0,0,1,0,0|0,0,0]=2 207 B11R1.91 C1CCN(CC1)CCC(=O)O TS10871 [1,0,0,1,0,0|1,0,1]=4 208 B11R1.91 C1CCNC(C1)CCC(=O)O TS02885 [1,0,0,1,0,0|1,0,1]=4 209 B11R1.91 C1CNCCC1CCC(=O)O TS00525 [1,0,0,1,0,0|1,0,1]=4 210 B11R1.101 C1CCCCC(=O)CCCC1 TS59759 [1,0,0,1,0,0|1,0,1]=4 211 B11R1.172 C1CCN(C1)CCCC(=O)O TS10866 [1,0,0,1,0,0|1,0,1]=4 212 B11R1.706 CC(=C1CCCCCCC1)C TS41203 [1,0,0,1,0,0|2,0,0]=4 213 B11R1.4 CCCCCCc1cccs1 TS65619 [1,0,0,1,0,0|0,1,1]=4 214 B11R1.180 CCCCCC1CCCC1=O TS41436 [1,0,0,1,0,0|0,0,2]=4 215 B13R1.27 CCCCCCCC1CCC(=O)O1 TS15334 [0,1,0,1,0,0|0,0,2]=4 216 B13R1.55 CCCCCC1CC(=O)CC(=O)C1 TS15013 [0,1,0,1,0,0|1,0,1]=4 217 B13R1.5437 CCCCCCCC1(CC(=O)O1)C TS48602 [0,1,0,1,0,0|0,0,2]=4 218 B13R1.337 C1CCC(CC1)CCCCC(=O)O TS48613 [0,1,0,1,0,0|0,0,2]=4 219 B13R1.1988 C1CCCN(CC1)CCCC(=O)O TS48762 [0,1,0,1,0,0|0,0,2]=4 220 B13R1.6 CCCCCCC1CCCC(=O)O1 TS48608 [0,1,0,1,0,0|0,0,2]=4 221 B13R1.279 C1CCCCCOC(=O)CCCC1 TS15332 [0,1,0,1,0,0|0,0,2]=4 222 B13R1.572 CCCCN1CCCCC1C(=O)O TS15476 [0,1,0,1,0,0|0,0,2]=4 223 B13R1.9 CCCCCCc1ccc(cc1)O TS47609 [0,1,0,1,0,0|1,0,1]=4 224 B13R2.435 C1CCC2C(C1)CC(N2)C(=O)O TS45021 [0,0,0,2,0,0|1,0,1]=4 225 B13R2.435 C1CCC2C(C1)C[C@@H](N2)C(=O)O TS45029 [0,0,0,2,0,0|1,0,1]=4 226 B13R2.435 C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O TS46516 [0,0,0,2,0,0|1,0,1]=4 227 B13R2.435 C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O TS20064 [0,0,0,2,0,0|1,0,1]=4 228 B13R2.435 C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O TS46515 [0,0,0,2,0,0|1,0,1]=4 229 B13R2.11877 CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)O TS38505 [0,0,0,2,0,0|1,0,0]=3 230 B13R2.13710 CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 TS38189 [0,0,0,2,0,0|2,0,0]=4 231 B13R2.13710 CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 TS42957 [0,0,0,2,0,0|2,0,0]=4