0 B11R0.40 CCC(=O)C#CC#CCCCO Amb24620038 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.40 CCCCCCC#CC(=O)CC Amb10562239 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.40 CCCCCCCNC(=O)CBr Amb17323631 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.40 CCCCCCCNC(=O)CCl Amb17329833 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.40 CCCCCCCNC(=O)CN Amb24115161 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.40 CCCCCCCOC(=O)C=C Amb17934060 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.40 CCCCCCOCC(=O)NN Amb19960388 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.40 CCCCC\C=C\CC(=O)OC Amb10807478 [0,0,0,0,0,0|0,0,3]=3 8 B11R0.40 CCCNCCCOC(=O)CC Amb18263176 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.40 COC(=O)CCCCCCCBr Amb24063235 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.40 COC(=O)CCCCCCCN Amb20669115 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.40 COC(=O)CCCCCCCN Amb24331924 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.40 COC(=O)CCCOCCCN Amb18111569 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.40 COC(=O)CCCOCCNC Amb18624289 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.40 COC(=O)NCCCCCCO Amb24095886 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.40 NCCCSCCCC(=O)OC Amb17500720 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.40 OCCCSCCCC(=O)OC Amb17502861 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.4 C#CCCCCC#CC(O)=O Amb24487919 [1,0,0,0,0,0|0,0,2]=3 18 B10R0.4 C=CCCCCC#CC(O)=O Amb25384882 [1,0,0,0,0,0|0,0,2]=3 19 B10R0.4 CC(=O)NCCCCCCO Amb24113372 [1,0,0,0,0,0|2,0,1]=4 20 B10R0.4 CC(=O)OCCCCCCBr Amb24063174 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.4 CCCCCC#CCC(O)=O Amb25384153 [1,0,0,0,0,0|0,0,2]=3 22 B10R0.4 CCCCCCC#CC(C)Br Amb25385952 [1,0,0,0,0,0|1,0,1]=3 23 B10R0.4 CCCCCCC#CC(C)O Amb24750379 [1,0,0,0,0,0|0,0,2]=3 24 B10R0.4 CCCCCCCCC([O-])=O Amb22729912 [1,0,0,0,0,0|0,0,3]=4 25 B10R0.4 CCCCCCCCS(=O)C Amb10553782 [1,0,0,0,0,0|1,0,2]=4 26 B10R0.4 CCCCCCCC[Sn](O)=O Amb22729697 [1,0,0,0,0,0|1,0,2]=4 27 B10R0.4 CCCCCCCNC(N)=O Amb17939018 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [1,0,0,0,0,0|2,0,1]=4 29 B10R0.4 CCCCCCNCC(=C)C Amb17308745 [1,0,0,0,0,0|2,0,1]=4 30 B10R0.4 CCCCCC\C=C\C(C)=C Amb22546604 [1,0,0,0,0,0|1,0,2]=4 31 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [1,0,0,0,0,0|0,0,2]=3 32 B10R0.4 CCCCC\C=C/NC(C)=O Amb24766540 [1,0,0,0,0,0|1,0,2]=4 33 B10R0.4 CCCCC\C=C\CC(=O)O Amb17593915 [1,0,0,0,0,0|0,0,3]=4 34 B10R0.4 CCCC\C=C/C#CC(C)=O Amb25271006 [1,0,0,0,0,0|0,0,2]=3 35 B10R0.4 CCCNCCCOC(C)=O Amb18924647 [1,0,0,0,0,0|2,0,1]=4 36 B10R0.4 CCOCCCC#CC(O)=O Amb25384938 [1,0,0,0,0,0|1,0,0]=2 37 B10R0.4 CCOCCCCCC(O)=O Amb22234334 [1,0,0,0,0,0|1,0,2]=4 38 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [1,0,0,0,0,0|1,0,2]=4 39 B10R0.4 NCCCCCCCC(O)=O Amb19929586 [1,0,0,0,0,0|1,0,2]=4 40 B10R0.4 NCCCCCCNC(O)=O Amb22494605 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.4 OC(=O)C#CCCCCCCl Amb25386237 [1,0,0,0,0,0|1,0,0]=2 42 B10R0.4 OC(=O)CCCCCCCS Amb22353760 [1,0,0,0,0,0|1,0,2]=4 43 B10R0.4 OCCCC#CC#CC(O)=O Amb25074608 [1,0,0,0,0,0|1,0,2]=4 44 B10R0.71 CCCCCCCCCOC Amb2582537 [1,0,0,0,0,0|0,0,3]=4 45 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [1,0,0,0,0,0|1,0,2]=4 46 B10R0.71 OCCCCCC#C\C=C\Cl Amb25384136 [1,0,0,0,0,0|3,0,0]=4 47 B10R0.74 BrCCCCCCC(=O)OC Amb10604007 [1,0,0,0,0,0|1,0,1]=3 48 B10R0.74 C=CCCCCCC(=O)OC Amb2369960 [1,0,0,0,0,0|0,0,3]=4 49 B10R0.74 CCC(=O)NCCCCCN Amb18102728 [1,0,0,0,0,0|3,0,0]=4 50 B10R0.74 CCCCCC#CC(=O)C=C Amb17593739 [1,0,0,0,0,0|1,0,1]=3 51 B10R0.74 CCCCCC#CC(=O)CF Amb25383110 [1,0,0,0,0,0|2,0,0]=3 52 B10R0.74 CCCCCC#CC(=O)NN Amb24391165 [1,0,0,0,0,0|2,0,0]=3 53 B10R0.74 CCCCCC=CC(=O)OC Amb24066773 [1,0,0,0,0,0|0,0,2]=3 54 B10R0.74 CCCCCCCC(=O)C#C Amb10562240 [1,0,0,0,0,0|1,0,2]=4 55 B10R0.74 CCCCCCCC(=O)C=C Amb10562277 [1,0,0,0,0,0|1,0,2]=4 56 B10R0.74 CCCCCCCC(=O)N[O-] Amb22346792 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.74 CCCCCCCC(=O)N[O-] Amb22731855 [1,0,0,0,0,0|2,0,1]=4 58 B10R0.74 CCCCCCCC(=O)SC Amb22366709 [1,0,0,0,0,0|0,1,1]=3 59 B10R0.74 CCCCCCNC(=O)CBr Amb17331633 [1,0,0,0,0,0|3,0,0]=4 60 B10R0.74 CCCCCCNC(=O)OC Amb17859513 [1,0,0,0,0,0|1,0,0]=2 61 B10R0.74 CCCCCCOC(=O)C=O Amb17614962 [1,0,0,0,0,0|3,0,0]=4 62 B10R0.74 CCCCCCOC(=O)CC Amb22168098 [1,0,0,0,0,0|2,0,0]=3 63 B10R0.74 CCCCCC\C=C(\I)/CC Amb22641682 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.74 CNC(=O)NCCCCCC Amb22347740 [1,0,0,0,0,0|2,0,0]=3 65 B10R0.74 COC(=O)C#CCCCC=O Amb25384729 [1,0,0,0,0,0|1,0,1]=3 66 B10R0.74 COC(=O)C#CCCCCO Amb24750368 [1,0,0,0,0,0|1,0,0]=2 67 B10R0.74 COC(=O)C#CCOCC=O Amb25385902 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.74 COC(=O)CCCCCN=C Amb19884087 [1,0,0,0,0,0|1,0,2]=4 69 B10R0.74 COC(=O)CCCCC[Zn]Br Amb22898094 [1,0,0,0,0,0|2,0,1]=4 70 B10R0.74 COC(=O)CCCOCCN Amb18109319 [1,0,0,0,0,0|2,0,1]=4 71 B10R0.74 COC(=O)OCC\C=C/CC Amb22734998 [1,0,0,0,0,0|1,0,2]=4 72 B10R0.74 O=CCCCCCC(=O)OC Amb16233599 [1,0,0,0,0,0|1,0,2]=4 73 B10R0.74 OCCCCCCC(=O)OC Amb13887312 [1,0,0,0,0,0|1,0,1]=3 74 B12R0.1 BrCCCCCCCC(=O)OCC Amb10604167 [0,1,0,0,0,0|1,0,2]=4 75 B12R0.1 CCCCCCCCC(=O)NCO Amb22043215 [0,1,0,0,0,0|1,0,2]=4 76 B12R0.1 CCCCCCCCC(=O)OC=C Amb17672563 [0,1,0,0,0,0|0,0,3]=4 77 B12R0.1 CCOC(=O)C#CCCCCCC Amb19888150 [0,1,0,0,0,0|0,0,0]=1 78 B12R0.1 CCOC(=O)CCCCCCCCl Amb22002672 [0,1,0,0,0,0|1,0,2]=4 79 B12R0.1 CCOC(=O)CCCCCCCF Amb24063238 [0,1,0,0,0,0|1,0,2]=4 80 B12R0.1 CCOC(=O)CCCCCCCN Amb19375589 [0,1,0,0,0,0|1,0,2]=4 81 B12R0.1 CNCC(=O)NCCCCCCC Amb20141923 [0,1,0,0,0,0|2,0,1]=4 82 B12R0.1 COCC(=O)OCCCNCCC Amb18928632 [0,1,0,0,0,0|2,0,1]=4 83 B12R0.1 C\C=C\C(=O)C#CC#CCCCC Amb25263629 [0,1,0,0,0,0|1,0,2]=4 84 B12R0.1 C\C=C\C(=O)OCCCCCCC Amb22730254 [0,1,0,0,0,0|2,0,1]=4 85 B12R0.49 CCCCCC\C=C(/C(=O)NC)\C Amb10559932 [0,1,0,0,0,0|1,0,2]=4 86 B12R0.49 C\C(=C/CCCCCC)\C(=O)OC Amb22002100 [0,1,0,0,0,0|0,0,2]=3 87 B12R0.57 CCCCCCC#CC(OC)OC Amb19888151 [0,1,0,0,0,0|0,0,2]=3 88 B12R0.113 CCCCCCC(O)CC(=O)OC Amb21928832 [0,1,0,0,0,0|0,0,2]=3 89 B12R0.184 COC(=O)CCCCCCC(C)C Amb21928858 [0,1,0,0,0,0|0,0,2]=3 90 B12R0.248 CCCCCCCCC[14C](=O)O[Na] Amb22352051 [0,1,0,0,0,0|1,0,2]=4 91 B12R0.248 CCCCC\C=C/CCC(=O)OC Amb24093816 [0,1,0,0,0,0|0,0,3]=4 92 B12R0.248 CCCCC\C=C\C=C\C(=O)OC Amb10068527 [0,1,0,0,0,0|0,0,3]=4 93 B12R0.248 CNCCCCCCCC(=O)OC Amb24331961 [0,1,0,0,0,0|0,0,2]=3 94 B12R0.248 COC(=O)CCCOCCNCC Amb18107249 [0,1,0,0,0,0|1,0,2]=4 95 B12R0.248 NCCCCSCCCC(=O)OC Amb17500973 [0,1,0,0,0,0|1,0,2]=4 96 B12R0.248 OCCCCCCCCC(=O)OC Amb17616943 [0,1,0,0,0,0|0,0,2]=3 97 B12R0.251 CC(=C)C(=O)OCCCCCCC Amb22057372 [0,1,0,0,0,0|2,0,1]=4 98 B12R0.251 CCCCCCCNC(=O)C(Cl)C Amb17326983 [0,1,0,0,0,0|2,0,1]=4 99 B12R0.251 CCCCCCCOC(=O)C(C)C Amb22363220 [0,1,0,0,0,0|2,0,1]=4 100 B12R0.251 CCCCCCCOC(=O)C(C)O Amb22358973 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 Amb18511855 [0,0,0,1,0,0|2,0,1]=4 102 B12R1.27 CCC(O)C#CC1CCCCC1 Amb24688337 [0,0,0,1,0,0|1,0,2]=4 103 B12R1.27 CNC(=O)CSC1CCCCC1 Amb25837549 [0,0,0,1,0,0|2,0,1]=4 104 B12R1.27 CNC(=O)NCC1CCCCC1 Amb25815192 [0,0,0,1,0,0|2,0,1]=4 105 B12R1.27 CNC(=O)NOC1CCCCC1 Amb24387592 [0,0,0,1,0,0|3,0,0]=4 106 B12R1.27 CNC(=O)\C=C\C1CCCCC1 Amb25255367 [0,0,0,1,0,0|1,0,2]=4 107 B12R1.27 COC(=O)C#CC1CCCCN1 Amb25241760 [0,0,0,1,0,0|1,0,0]=2 108 B12R1.27 COC(=O)C#CC1CCNCC1 Amb24464710 [0,0,0,1,0,0|1,0,0]=2 109 B12R1.27 COC(=O)C#CC1CCOCC1 Amb25151109 [0,0,0,1,0,0|1,0,0]=2 110 B12R1.27 COC(=O)C#CC1COCCO1 Amb25034783 [0,0,0,1,0,0|2,0,0]=3 111 B12R1.27 COC(=O)CCC1CCCCN1 Amb10607784 [0,0,0,1,0,0|1,0,2]=4 112 B12R1.27 COC(=O)CCC1CCCCN1 Amb13949148 [0,0,0,1,0,0|1,0,2]=4 113 B12R1.27 COC(=O)CCC1CCCNC1 Amb1102606 [0,0,0,1,0,0|1,0,2]=4 114 B12R1.27 COC(=O)CCC1CCCNC1 Amb13949147 [0,0,0,1,0,0|1,0,2]=4 115 B12R1.27 COC(=O)CCC1CCNCC1 Amb13889031 [0,0,0,1,0,0|1,0,2]=4 116 B12R1.27 COC(=O)CCC1CCNCC1 Amb13889037 [0,0,0,1,0,0|1,0,2]=4 117 B12R1.27 COC(=O)CCN1CCCCC1 Amb1016529 [0,0,0,1,0,0|1,0,2]=4 118 B12R1.27 COC(=O)COC1CCCNC1 Amb23586033 [0,0,0,1,0,0|2,0,1]=4 119 B12R1.27 COC(=O)COC1CCNCC1 Amb22225110 [0,0,0,1,0,0|2,0,1]=4 120 B12R1.27 COC(=O)COC1CCNCC1 Amb22752847 [0,0,0,1,0,0|2,0,1]=4 121 B12R1.27 COC(=O)COC1CCNCC1 Amb22831425 [0,0,0,1,0,0|2,0,1]=4 122 B12R1.27 COC(=O)CSC1CCNCC1 Amb19072458 [0,0,0,1,0,0|2,0,1]=4 123 B12R1.27 COC(=O)NCC1CCCCC1 Amb25790583 [0,0,0,1,0,0|1,0,1]=3 124 B12R1.27 COC(=O)NCC1CCCCO1 Amb24448697 [0,0,0,1,0,0|2,0,1]=4 125 B12R1.27 COC(=O)NCC1COCCC1 Amb25307339 [0,0,0,1,0,0|2,0,1]=4 126 B12R1.27 COC(=O)\C=C\C1CCCCC1 Amb25148638 [0,0,0,1,0,0|0,0,2]=3 127 B12R1.27 COC(=O)\C=C\C1CCCCN1 Amb25200810 [0,0,0,1,0,0|1,0,2]=4 128 B12R1.27 COC(=O)\C=C\C1CCNCC1 Amb25200787 [0,0,0,1,0,0|1,0,2]=4 129 B12R1.27 COC(=O)\C=C\C1CNCCC1 Amb24617867 [0,0,0,1,0,0|1,0,2]=4 130 B12R1.27 COC(=O)\C=C\C1COCCC1 Amb25760294 [0,0,0,1,0,0|1,0,2]=4 131 B12R1.77 CCC(=O)C1CCCCC1CC Amb24483591 [0,0,0,1,0,0|1,0,2]=4 132 B12R1.77 CCC1CCCCC1C(=N)OC Amb25250922 [0,0,0,1,0,0|1,0,2]=4 133 B12R1.77 CCC1CCCCC1C(=O)OC Amb24663453 [0,0,0,1,0,0|0,0,2]=3 134 B12R1.77 CCC1CCCNC1C(=O)OC Amb24652659 [0,0,0,1,0,0|1,0,1]=3 135 B12R1.77 CCC1CCNCC1C(=O)OC Amb22586118 [0,0,0,1,0,0|1,0,2]=4 136 B12R1.77 CCC1CNCCN1C(=O)OC Amb24366073 [0,0,0,1,0,0|2,0,1]=4 137 B12R1.77 CCC1NCCCC1C(=O)OC Amb25814414 [0,0,0,1,0,0|1,0,2]=4 138 B12R1.77 CCN1CCCC=C1C(=O)OC Amb23585375 [0,0,0,1,0,0|1,0,2]=4 139 B12R1.77 CCN1CCCCC1C(=O)OC Amb25082074 [0,0,0,1,0,0|1,0,2]=4 140 B12R1.77 CCN1CCCC[C@@H]1C(=O)OC Amb25104285 [0,0,0,1,0,0|1,0,2]=4 141 B12R1.77 CC[C@@H]1CCCN[C@@H]1C(=O)OC Amb24601104 [0,0,0,1,0,0|1,0,1]=3 142 B12R1.77 CC[C@H]1CCCN[C@@H]1C(=O)OC Amb25301855 [0,0,0,1,0,0|1,0,1]=3 143 B12R1.77 CNC1CCCCC1C(=O)OC Amb18647529 [0,0,0,1,0,0|1,0,2]=4 144 B12R1.77 COC(=O)C1CCCCC1CN Amb22904205 [0,0,0,1,0,0|1,0,2]=4 145 B12R1.77 COC(=O)C1CCCCC1CN Amb24638995 [0,0,0,1,0,0|1,0,2]=4 146 B12R1.77 COC(=O)C1CCCCC1CO Amb25159604 [0,0,0,1,0,0|1,0,2]=4 147 B12R1.77 COC(=O)N1CCCCC1CN Amb18283907 [0,0,0,1,0,0|2,0,1]=4 148 B12R1.77 COC(=O)N1CCCC[C@H]1CO Amb25357407 [0,0,0,1,0,0|2,0,1]=4 149 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1CCl Amb24604803 [0,0,0,1,0,0|1,0,2]=4 150 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1CO Amb24588263 [0,0,0,1,0,0|1,0,2]=4 151 B12R1.77 COC(=O)[C@@H]1CCCC[C@H]1CO Amb24436062 [0,0,0,1,0,0|1,0,2]=4 152 B12R1.77 COC(=O)[C@H]1CCCO[C@H]1CC Amb24516391 [0,0,0,1,0,0|1,0,2]=4 153 B12R1.82 CCC1CCCC1=CC(=O)OC Amb25060926 [0,0,0,1,0,0|0,0,2]=3 154 B12R1.82 CNC(=O)NC1CCCC1CC Amb25080715 [0,0,0,1,0,0|2,0,1]=4 155 B12R1.82 COC(=O)NC1CCCC1CN Amb18302421 [0,0,0,1,0,0|2,0,1]=4 156 B12R1.82 COC(=O)NC1CCCC1CO Amb25138534 [0,0,0,1,0,0|2,0,1]=4 157 B12R1.82 COC(=O)NC1CCCC1OC Amb25307304 [0,0,0,1,0,0|2,0,1]=4 158 B12R1.82 COC(=O)N[C@@H]1CCC[C@@H]1CO Amb25061474 [0,0,0,1,0,0|2,0,1]=4 159 B12R1.82 COC(=O)N[C@@H]1CCC[C@H]1OC Amb24339168 [0,0,0,1,0,0|2,0,1]=4 160 B12R1.82 COC(=O)\C=C/1\CCCC1CO Amb25296389 [0,0,0,1,0,0|1,0,2]=4 161 B12R1.150 CC1CCCCCCC=CC1=O Amb24582545 [0,0,0,1,0,0|1,0,2]=4 162 B12R1.150 CC1CCCCCCCCC1=O Amb24645477 [0,0,0,1,0,0|1,0,2]=4 163 B12R1.150 C[C@H]1CCCCCCCCC1=O Amb24456546 [0,0,0,1,0,0|1,0,2]=4 164 B12R1.215 O=C1CCCC#CCCCC#C1 Amb25735731 [0,0,0,1,0,0|1,0,2]=4 165 B12R1.215 O=C1CCCCCCCCC#C1 Amb25706996 [0,0,0,1,0,0|1,0,0]=2 166 B12R1.215 O=C1CCCCCCCCCO1 Amb22732305 [0,0,0,1,0,0|0,0,2]=3 167 B12R1.353 CC1CCCC1CNC(=O)CC Amb24570565 [0,0,0,1,0,0|2,0,1]=4 168 B12R1.353 CC1OCCC1C#CC(=O)OC Amb24751380 [0,0,0,1,0,0|1,0,0]=2 169 B12R1.353 COC(=O)NCC1CCCN1C Amb24423628 [0,0,0,1,0,0|2,0,1]=4 170 B12R1.353 COC(=O)NN=C1CCCC1C Amb24674905 [0,0,0,1,0,0|2,0,1]=4 171 B12R1.353 COC(=O)\C=C\N1CCCC1C Amb25311431 [0,0,0,1,0,0|1,0,2]=4 172 B12R1.364 CC1CCC1N\C=C\C(=O)OC Amb24743113 [0,0,0,1,0,0|1,0,2]=4 173 B12R1.365 CNC(=O)N1CCCCCC1C Amb25145268 [0,0,0,1,0,0|2,0,1]=4 174 B12R1.365 COC(=O)C1CCCCCC1O Amb25357406 [0,0,0,1,0,0|1,0,2]=4 175 B12R1.365 COC(=O)N1CCCCCC1C Amb25115628 [0,0,0,1,0,0|1,0,1]=3 176 B12R1.365 COC(=O)N1CCCOCC1C Amb24675020 [0,0,0,1,0,0|2,0,1]=4 177 B12R1.365 COC(=O)N1CCNCCC1C Amb24463725 [0,0,0,1,0,0|2,0,1]=4 178 B12R1.365 COC(=O)N1CCOCCC1C Amb24350078 [0,0,0,1,0,0|2,0,1]=4 179 B12R1.365 COC(=O)[C@@H]1CCCCC[C@@H]1N Amb24598964 [0,0,0,1,0,0|1,0,2]=4 180 B12R1.365 COC(=O)[C@@H]1CCCCC[C@H]1N Amb24621788 [0,0,0,1,0,0|1,0,2]=4 181 B12R1.365 COC(=O)[C@H]1CCCCC[C@@H]1O Amb24592066 [0,0,0,1,0,0|1,0,2]=4 182 B12R1.365 COC(=O)[C@H]1CCCCC[C@H]1O Amb24593756 [0,0,0,1,0,0|1,0,2]=4 183 B12R1.371 CC1CCCCC1CC(=O)NC Amb25806375 [0,0,0,1,0,0|1,0,2]=4 184 B12R1.371 CC1CCCCC1NC(=O)NC Amb25790591 [0,0,0,1,0,0|2,0,1]=4 185 B12R1.371 CC1CCCCC1NC(=O)OC Amb25289103 [0,0,0,1,0,0|1,0,1]=3 186 B12R1.371 CC1CCCCC1OC(=O)CC Amb25271761 [0,0,0,1,0,0|2,0,1]=4 187 B12R1.371 CC1CCCNC1CC(=O)OC Amb18647518 [0,0,0,1,0,0|1,0,2]=4 188 B12R1.371 CC1CCNCC1CC(=O)OC Amb24331936 [0,0,0,1,0,0|1,0,2]=4 189 B12R1.371 CC1CCNCC1NC(=O)OC Amb24661654 [0,0,0,1,0,0|2,0,1]=4 190 B12R1.371 CC1NCCCC1CC(=O)OC Amb24331928 [0,0,0,1,0,0|1,0,2]=4 191 B12R1.371 CCC(=O)CN1CCCCC1C Amb18806284 [0,0,0,1,0,0|2,0,1]=4 192 B12R1.371 COC(=O)CC1CCCCC1Br Amb22497306 [0,0,0,1,0,0|1,0,2]=4 193 B12R1.371 COC(=O)CC1CCCCC1N Amb24419823 [0,0,0,1,0,0|1,0,2]=4 194 B12R1.371 COC(=O)CC1CCCCC1O Amb25317529 [0,0,0,1,0,0|1,0,2]=4 195 B12R1.371 COC(=O)CC1CCCCN1C Amb18794057 [0,0,0,1,0,0|1,0,2]=4 196 B12R1.371 COC(=O)CC1CCCC[C@@H]1O Amb24588231 [0,0,0,1,0,0|1,0,2]=4 197 B12R1.371 COC(=O)CC1CCCC[C@H]1O Amb25822153 [0,0,0,1,0,0|1,0,2]=4 198 B12R1.371 COC(=O)CN1CCOC[C@H]1C Amb24450811 [0,0,0,1,0,0|2,0,1]=4 199 B12R1.371 COC(=O)C[C@@H]1CCCC[C@@H]1N Amb24648079 [0,0,0,1,0,0|1,0,2]=4 200 B12R1.371 COC(=O)C[C@@H]1CCCC[C@H]1N Amb25339325 [0,0,0,1,0,0|1,0,2]=4 201 B12R1.371 COC(=O)C[C@@H]1CCCC[C@H]1O Amb24603336 [0,0,0,1,0,0|1,0,2]=4 202 B12R1.371 COC(=O)C[C@H]1CCCC[C@@H]1N Amb25232565 [0,0,0,1,0,0|1,0,2]=4 203 B12R1.371 COC(=O)C[C@H]1CCCC[C@@H]1O Amb24546812 [0,0,0,1,0,0|1,0,2]=4 204 B12R1.371 COC(=O)NC1CCCCC1Cl Amb24596380 [0,0,0,1,0,0|2,0,1]=4 205 B12R1.371 COC(=O)NC1CCCCC1N Amb18281614 [0,0,0,1,0,0|2,0,1]=4 206 B12R1.371 COC(=O)NC1CCCCC1O Amb18803344 [0,0,0,1,0,0|2,0,1]=4 207 B12R1.371 COC(=O)N[C@@H]1CCCC[C@H]1Cl Amb24519435 [0,0,0,1,0,0|2,0,1]=4 208 B12R1.371 COC(=O)N[C@@H]1CCCC[C@H]1F Amb24421513 [0,0,0,1,0,0|2,0,1]=4 209 B12R1.371 COC(=O)N[C@H]1CCCC[C@@H]1O Amb25079509 [0,0,0,1,0,0|2,0,1]=4 210 B12R1.371 COC(=O)N[C@H]1CCCC[C@H]1O Amb25210138 [0,0,0,1,0,0|2,0,1]=4 211 B12R1.371 COC(=O)O[C@H]1CCCC[C@H]1O Amb25177100 [0,0,0,1,0,0|2,0,1]=4 212 B12R1.371 COC(=O)\C=C/1\CCCCC1C Amb25808199 [0,0,0,1,0,0|0,0,2]=3 213 B12R1.371 COC(=O)\C=C/1\CCCCC1Cl Amb25362216 [0,0,0,1,0,0|1,0,2]=4 214 B12R1.371 COC(=O)\C=C/1\CCOCC1C Amb25355108 [0,0,0,1,0,0|1,0,2]=4 215 B12R1.371 COC(=O)\C=C\1/CNCCC1C Amb24331935 [0,0,0,1,0,0|1,0,2]=4 216 B12R1.371 C[C@@H]1CCCN[C@@H]1CC(=O)OC Amb25195838 [0,0,0,1,0,0|1,0,2]=4 217 B12R1.371 C[C@H]1CCNC[C@H]1NC(=O)OC Amb17621798 [0,0,0,1,0,0|2,0,1]=4 218 B12R1.477 COC(=O)C#CCC1CCCO1 Amb24744058 [0,0,0,1,0,0|1,0,0]=2 219 B12R1.477 COC(=O)CCNC1CCCC1 Amb22496277 [0,0,0,1,0,0|1,0,2]=4 220 B12R1.477 COC(=O)CSCC1CCCN1 Amb19072465 [0,0,0,1,0,0|2,0,1]=4 221 B12R1.477 COC(=O)NCCC1CCCC1 Amb22365035 [0,0,0,1,0,0|1,0,1]=3 222 B12R1.477 COC(=O)NN=CC1CCCC1 Amb24386616 [0,0,0,1,0,0|2,0,1]=4 223 B12R1.477 COC(=O)\C=C\NC1CCCC1 Amb24525011 [0,0,0,1,0,0|1,0,2]=4 224 B12R1.1659 CCC(=O)C=1CCCCCCC1 Amb25816363 [0,0,0,1,0,0|1,0,2]=4 225 B12R1.1659 CCC(=O)N1CCCCCCC1 Amb2125344 [0,0,0,1,0,0|2,0,1]=4 226 B12R1.1659 CNC(=O)C1CCCCCCC1 Amb24719976 [0,0,0,1,0,0|1,0,2]=4 227 B12R1.1659 CNC(=O)C1CCCCCCN1 Amb25330377 [0,0,0,1,0,0|2,0,1]=4 228 B12R1.1659 CNC(=O)N1CCCCCCC1 Amb25334621 [0,0,0,1,0,0|2,0,1]=4 229 B12R1.1659 COC(=O)C1CCCCCCC1 Amb24537636 [0,0,0,1,0,0|0,0,2]=3 230 B12R1.1659 COC(=O)C1CCCCCCN1 Amb25246058 [0,0,0,1,0,0|1,0,1]=3 231 B12R1.1659 COC(=O)C=1CCCCCCC1 Amb25124946 [0,0,0,1,0,0|0,0,2]=3 232 B12R1.1659 COC(=O)N1CCCCCCC1 Amb2125356 [0,0,0,1,0,0|1,0,1]=3 233 B12R1.1748 CCC(=O)CC1CCCCCC1 Amb24493085 [0,0,0,1,0,0|1,0,2]=4 234 B12R1.1748 CCC(=O)CN1CCCCCC1 Amb18806286 [0,0,0,1,0,0|2,0,1]=4 235 B12R1.1748 CCC(=O)OC1CCCCCC1 Amb25154716 [0,0,0,1,0,0|2,0,1]=4 236 B12R1.1748 COC(=C)CN1CCCCCC1 Amb24476492 [0,0,0,1,0,0|2,0,1]=4 237 B12R1.1748 COC(=O)CC1CCCCCN1 Amb25123355 [0,0,0,1,0,0|1,0,2]=4 238 B12R1.1748 COC(=O)CC1CCCNCC1 Amb24098367 [0,0,0,1,0,0|1,0,2]=4 239 B12R1.1748 COC(=O)CC1CCCNCC1 Amb24581304 [0,0,0,1,0,0|1,0,2]=4 240 B12R1.1748 COC(=O)CN1CCCOCC1 Amb18807778 [0,0,0,1,0,0|2,0,1]=4 241 B12R1.1748 COC(=O)CN1CCCSCC1 Amb18316532 [0,0,0,1,0,0|2,0,1]=4 242 B12R1.1748 COC(=O)CN1CCNCCC1 Amb1114640 [0,0,0,1,0,0|2,0,1]=4 243 B12R1.1748 COC(=O)NC1CCCCCC1 Amb17790975 [0,0,0,1,0,0|1,0,1]=3 244 B12R1.1748 COC(=O)NC1CCCOCC1 Amb25370225 [0,0,0,1,0,0|2,0,1]=4 245 B12R1.1748 COC(=O)NC1CCNCCC1 Amb24469903 [0,0,0,1,0,0|2,0,1]=4 246 B12R1.1748 COC(=O)NC1CNCCCC1 Amb25123687 [0,0,0,1,0,0|2,0,1]=4 247 B12R1.1748 COC(=O)\C=C/1\CCCCCN1 Amb23510204 [0,0,0,1,0,0|1,0,2]=4 248 B9R0.2 BrCCCCCCC(=O)O Amb10071514 [2,0,0,0,0,0|1,0,1]=4 249 B9R0.2 C=CCCCC#CC(O)=O Amb25770578 [2,0,0,0,0,0|0,0,2]=4 250 B9R0.2 CC(=O)C#CCCCC#C Amb25146764 [2,0,0,0,0,0|0,0,2]=4 251 B9R0.2 CC(=O)CCCCCCBr Amb24436166 [2,0,0,0,0,0|1,0,1]=4 252 B9R0.2 CC(=O)CCCCCCF Amb25050277 [2,0,0,0,0,0|1,0,1]=4 253 B9R0.2 CC(=O)CCCCCCN Amb25147578 [2,0,0,0,0,0|1,0,1]=4 254 B9R0.2 CC(=O)CCCCCCO Amb25728037 [2,0,0,0,0,0|1,0,1]=4 255 B9R0.2 CC(=O)NCCCCCBr Amb24477078 [2,0,0,0,0,0|2,0,0]=4 256 B9R0.2 CC(=O)NCCCCCCl Amb25709577 [2,0,0,0,0,0|2,0,0]=4 257 B9R0.2 CC(=O)NCCCCCN Amb18102716 [2,0,0,0,0,0|2,0,0]=4 258 B9R0.2 CC(=O)OCCCCCF Amb25346117 [2,0,0,0,0,0|2,0,0]=4 259 B9R0.2 CC(=O)OCCCCCI Amb25304053 [2,0,0,0,0,0|2,0,0]=4 260 B9R0.2 CC(=O)OCCCCCN Amb25228426 [2,0,0,0,0,0|2,0,0]=4 261 B9R0.2 CC(=O)SCCCCCCl Amb24443095 [2,0,0,0,0,0|2,0,0]=4 262 B9R0.2 CCCC#CC#CC(=O)C Amb17593414 [2,0,0,0,0,0|0,0,2]=4 263 B9R0.2 CCCCC#CCC(C)=O Amb24479204 [2,0,0,0,0,0|0,0,2]=4 264 B9R0.2 CCCCCC#CC(C)=O Amb25146663 [2,0,0,0,0,0|0,0,0]=2 265 B9R0.2 CCCCCC#CC(C)Br Amb25743386 [2,0,0,0,0,0|1,0,1]=4 266 B9R0.2 CCCCCC#CC(N)=O Amb25363776 [2,0,0,0,0,0|1,0,0]=3 267 B9R0.2 CCCCCC#C[C@H](C)O Amb25762969 [2,0,0,0,0,0|0,0,2]=4 268 B9R0.2 CCCCCCC=C(C)C Amb24539575 [2,0,0,0,0,0|1,0,1]=4 269 B9R0.2 CCCCCCCC(=O)S Amb10561702 [2,0,0,0,0,0|0,1,1]=4 270 B9R0.2 CCCCCCCC(O)=O Amb22352272 [2,0,0,0,0,0|0,0,1]=3 271 B9R0.2 CCCCCCCC(O)=O Amb22353407 [2,0,0,0,0,0|0,0,1]=3 272 B9R0.2 CCCCCCCC([O-])=O Amb22045472 [2,0,0,0,0,0|0,0,2]=4 273 B9R0.2 CCCCCCCC([O-])=O Amb22731641 [2,0,0,0,0,0|0,0,2]=4 274 B9R0.2 CCCCCCCC([O-])=O Amb22732291 [2,0,0,0,0,0|0,0,2]=4 275 B9R0.2 CCCCCCCC([O-])=O Amb22732747 [2,0,0,0,0,0|0,0,2]=4 276 B9R0.2 CCCCCCC[13C](O)=O Amb20243497 [2,0,0,0,0,0|0,0,1]=3 277 B9R0.2 CCCCCCC[13C]([O-])=O Amb22366893 [2,0,0,0,0,0|0,0,2]=4 278 B9R0.2 CCCCCCNC(C)=N Amb25288761 [2,0,0,0,0,0|2,0,0]=4 279 B9R0.2 CCCCCCNC(N)=O Amb23569596 [2,0,0,0,0,0|2,0,0]=4 280 B9R0.2 CCCCCCNC(O)=S Amb24375451 [2,0,0,0,0,0|1,1,0]=4 281 B9R0.2 CCCCCCOC(=O)Cl Amb10070637 [2,0,0,0,0,0|2,0,0]=4 282 B9R0.2 CCCCCCOC(N)=O Amb22495526 [2,0,0,0,0,0|2,0,0]=4 283 B9R0.2 CCCCCCSC(N)=O Amb25765687 [2,0,0,0,0,0|2,0,0]=4 284 B9R0.2 CCCCCC[13CH2]C(O)=O Amb22367410 [2,0,0,0,0,0|0,0,1]=3 285 B9R0.2 CCCCCC[13CH2][13C](O)=O Amb22367490 [2,0,0,0,0,0|0,0,1]=3 286 B9R0.2 CCCCC\C=C/C(C)=O Amb25783438 [2,0,0,0,0,0|0,0,2]=4 287 B9R0.2 CCCCC\C=C\C(C)=O Amb22052624 [2,0,0,0,0,0|0,0,2]=4 288 B9R0.2 CCCCSCCC(=O)O Amb1032992 [2,0,0,0,0,0|1,0,1]=4 289 B9R0.2 CCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22351826 [2,0,0,0,0,0|0,0,1]=3 290 B9R0.2 CCCNCCCC(=O)O Amb1109953 [2,0,0,0,0,0|1,0,1]=4 291 B9R0.2 CCCNCCOC(C)=O Amb18928593 [2,0,0,0,0,0|2,0,0]=4 292 B9R0.2 CCCOCCOC(C)=O Amb25354004 [2,0,0,0,0,0|2,0,0]=4 293 B9R0.2 CCCSCCNC(C)=O Amb24548362 [2,0,0,0,0,0|2,0,0]=4 294 B9R0.2 CCC\C=C\C#CC(=O)C Amb17593455 [2,0,0,0,0,0|0,0,2]=4 295 B9R0.2 CCC\C=C\C#CC(O)=O Amb24411024 [2,0,0,0,0,0|0,0,2]=4 296 B9R0.2 CCNCCCCC(O)=O Amb24385094 [2,0,0,0,0,0|1,0,1]=4 297 B9R0.2 CCOCCCOC(C)=O Amb22733319 [2,0,0,0,0,0|2,0,0]=4 298 B9R0.2 CC\C=C/CC#CC(C)=O Amb24068744 [2,0,0,0,0,0|0,0,2]=4 299 B9R0.2 CC\C=C\CC#CC(C)=O Amb24646668 [2,0,0,0,0,0|0,0,2]=4 300 B9R0.2 CNCCCCCC(C)=O Amb25728176 [2,0,0,0,0,0|1,0,1]=4 301 B9R0.2 CNCCCCCC(O)=O Amb25704769 [2,0,0,0,0,0|1,0,1]=4 302 B9R0.2 COCCCCCC(=O)O Amb10607872 [2,0,0,0,0,0|1,0,1]=4 303 B9R0.2 COCCCCOC(C)=O Amb24325176 [2,0,0,0,0,0|2,0,0]=4 304 B9R0.2 COCOCC#CC(O)=O Amb25791596 [2,0,0,0,0,0|2,0,0]=4 305 B9R0.2 C[13CH2]CCCCCC(O)=O Amb22367488 [2,0,0,0,0,0|0,0,1]=3 306 B9R0.2 ClCCCCCCC(=O)O Amb17594087 [2,0,0,0,0,0|1,0,1]=4 307 B9R0.2 NCCCCCCC(=O)O Amb1151254 [2,0,0,0,0,0|1,0,1]=4 308 B9R0.2 NCCCCCCC(=O)O Amb16232099 [2,0,0,0,0,0|1,0,1]=4 309 B9R0.2 OC(=O)CCCCCCF Amb25132501 [2,0,0,0,0,0|1,0,1]=4 310 B9R0.2 OC(=O)CCCCCCS Amb24710334 [2,0,0,0,0,0|1,0,1]=4 311 B9R0.2 OCCCCCNC(=O)C Amb15769972 [2,0,0,0,0,0|2,0,0]=4 312 B9R0.2 [13CH3]CCCCCCC(O)=O Amb22367137 [2,0,0,0,0,0|0,0,1]=3 313 B9R0.2 [13CH3][13CH2]CCCCCC(O)=O Amb22367489 [2,0,0,0,0,0|0,0,1]=3 314 B9R0.45 C#CCCCCC#CC=O Amb25313132 [2,0,0,0,0,0|0,0,2]=4 315 B9R0.45 C=CCCCCC#CC=O Amb25092936 [2,0,0,0,0,0|0,0,2]=4 316 B9R0.45 CCC#CCCC#CC=O Amb25759466 [2,0,0,0,0,0|0,0,2]=4 317 B9R0.45 CCC#CCCCCCCl Amb24505002 [2,0,0,0,0,0|1,0,1]=4 318 B9R0.45 CCCCCC#CCON Amb22896677 [2,0,0,0,0,0|1,0,1]=4 319 B9R0.45 CCCCCC#CCON Amb25212008 [2,0,0,0,0,0|1,0,1]=4 320 B9R0.45 CCCCCC#C\C=C\Cl Amb24585175 [2,0,0,0,0,0|2,0,0]=4 321 B9R0.45 CCCCCCC#CC#N Amb17593435 [2,0,0,0,0,0|1,0,1]=4 322 B9R0.45 CCCCCCC#CC=O Amb25227346 [2,0,0,0,0,0|0,0,0]=2 323 B9R0.45 CCCCCCC#CCCl Amb25228778 [2,0,0,0,0,0|1,0,1]=4 324 B9R0.45 CCCCCCC=CC=O Amb24061310 [2,0,0,0,0,0|0,0,2]=4 325 B9R0.45 CCCCCCCNOC Amb25335283 [2,0,0,0,0,0|1,0,1]=4 326 B9R0.45 CCCCCSC#CCO Amb25801380 [2,0,0,0,0,0|1,0,1]=4 327 B9R0.45 CCCSCC#CCOC Amb25057319 [2,0,0,0,0,0|1,0,1]=4 328 B9R0.45 CC\C=C/CCCCCC Amb22230427 [2,0,0,0,0,0|1,0,1]=4 329 B9R0.45 CC\C=C\CCCCCC Amb22231672 [2,0,0,0,0,0|1,0,1]=4 330 B9R0.45 COCC#CCCCCCl Amb24505278 [2,0,0,0,0,0|1,0,1]=4 331 B9R0.45 CO\C=C\CCCCCBr Amb24477215 [2,0,0,0,0,0|1,0,1]=4 332 B9R0.45 C\C=C\CCCCCCC Amb22730483 [2,0,0,0,0,0|0,0,2]=4 333 B9R0.45 O=CC#CCCCCCCl Amb24480407 [2,0,0,0,0,0|1,0,0]=3 334 B9R0.45 OCC#CCCCCCCl Amb24568326 [2,0,0,0,0,0|1,0,1]=4 335 B9R0.46 CCC(=O)CCCCCBr Amb25276919 [2,0,0,0,0,0|2,0,0]=4 336 B9R0.46 CCC(=O)CCCCCCl Amb24538039 [2,0,0,0,0,0|2,0,0]=4 337 B9R0.46 CCC(=O)CCCCCF Amb24596312 [2,0,0,0,0,0|2,0,0]=4 338 B9R0.46 CCC(=O)CCCCOC Amb25797343 [2,0,0,0,0,0|2,0,0]=4 339 B9R0.46 CCCCC#CC(=O)CCl Amb25824680 [2,0,0,0,0,0|2,0,0]=4 340 B9R0.46 CCCCC#CC(=O)CF Amb25373052 [2,0,0,0,0,0|2,0,0]=4 341 B9R0.46 CCCCCCC(=O)C#C Amb25086546 [2,0,0,0,0,0|1,0,1]=4 342 B9R0.46 CCCCCCC(=O)C#N Amb22734561 [2,0,0,0,0,0|2,0,0]=4 343 B9R0.46 CCCCCCC(=O)CBr Amb24078361 [2,0,0,0,0,0|2,0,0]=4 344 B9R0.46 CCCCCCC(=O)CCl Amb24078365 [2,0,0,0,0,0|2,0,0]=4 345 B9R0.46 CCCCCCC(=O)CN Amb25731786 [2,0,0,0,0,0|2,0,0]=4 346 B9R0.46 CCCCCCC(=O)CS Amb25146854 [2,0,0,0,0,0|2,0,0]=4 347 B9R0.46 CCCCCCC(=O)NO Amb25146254 [2,0,0,0,0,0|2,0,0]=4 348 B9R0.46 CCCCCCC(=S)NC Amb24724306 [2,0,0,0,0,0|1,1,0]=4 349 B9R0.46 CCCCCCC(C)OC Amb24637476 [2,0,0,0,0,0|1,0,1]=4 350 B9R0.46 CCCCCCC(Cl)OC Amb24433943 [2,0,0,0,0,0|1,0,1]=4 351 B9R0.46 CCCCCCC(O)OC Amb24482551 [2,0,0,0,0,0|0,0,2]=4 352 B9R0.46 CCCCCNC(=O)CC Amb17736727 [2,0,0,0,0,0|2,0,0]=4 353 B9R0.46 CCCCCNC(=O)OC Amb17918558 [2,0,0,0,0,0|1,0,0]=3 354 B9R0.46 CCCCCOC(=O)NC Amb24672684 [2,0,0,0,0,0|2,0,0]=4 355 B9R0.46 CCCCNCC(=O)CC Amb24478874 [2,0,0,0,0,0|2,0,0]=4 356 B9R0.46 CCCCOCC(=O)NC Amb24683967 [2,0,0,0,0,0|2,0,0]=4 357 B9R0.46 CCCCSCC(=O)CC Amb18800474 [2,0,0,0,0,0|2,0,0]=4 358 B9R0.46 CCCC\C=C\C(=O)OC Amb25339041 [2,0,0,0,0,0|0,0,2]=4 359 B9R0.46 CCCNCCC(=O)CC Amb25366402 [2,0,0,0,0,0|2,0,0]=4 360 B9R0.46 CCCOCCC(=O)NC Amb24410354 [2,0,0,0,0,0|2,0,0]=4 361 B9R0.46 CCNCCCC(=O)OC Amb22886193 [2,0,0,0,0,0|1,0,0]=3 362 B9R0.46 CCNCCNC(=O)OC Amb24727935 [2,0,0,0,0,0|2,0,0]=4 363 B9R0.46 CCOCCCC(=O)NC Amb25736237 [2,0,0,0,0,0|2,0,0]=4 364 B9R0.46 CCSCCNC(=O)OC Amb24747719 [2,0,0,0,0,0|2,0,0]=4 365 B9R0.46 CCSCSCC(=O)OC Amb24621540 [2,0,0,0,0,0|2,0,0]=4 366 B9R0.46 CC\C=C\CCC(=O)OC Amb25350136 [2,0,0,0,0,0|0,0,2]=4 367 B9R0.46 CNC(=O)CCCCOC Amb24457668 [2,0,0,0,0,0|2,0,0]=4 368 B9R0.46 CNC(=O)CCCNCC Amb24691212 [2,0,0,0,0,0|2,0,0]=4 369 B9R0.46 CNC(=O)CCNCCC Amb20171970 [2,0,0,0,0,0|2,0,0]=4 370 B9R0.46 CNCCCCC(=O)OC Amb25725637 [2,0,0,0,0,0|1,0,0]=3 371 B9R0.46 CNCCSCC(=O)OC Amb18798231 [2,0,0,0,0,0|2,0,0]=4 372 B9R0.46 COC(=N)CCCOCC Amb24597184 [2,0,0,0,0,0|2,0,0]=4 373 B9R0.46 COC(=O)C#CCCCO Amb22230916 [2,0,0,0,0,0|1,0,0]=3 374 B9R0.46 COC(=O)CCCCC#C Amb18636156 [2,0,0,0,0,0|0,0,2]=4 375 B9R0.46 COC(=O)CCCCC#N Amb18643702 [2,0,0,0,0,0|1,0,1]=4 376 B9R0.46 COC(=O)CCCCCCl Amb25703167 [2,0,0,0,0,0|1,0,0]=3 377 B9R0.46 COC(=O)CCCCCI Amb24429888 [2,0,0,0,0,0|1,0,0]=3 378 B9R0.46 COC(=O)CCCCCO Amb22002577 [2,0,0,0,0,0|1,0,0]=3 379 B9R0.46 COC(=O)CCCC[Zn]Br Amb22898092 [2,0,0,0,0,0|2,0,0]=4 380 B9R0.46 COC(=O)CCNCCF Amb24468568 [2,0,0,0,0,0|2,0,0]=4 381 B9R0.46 COC(=O)CCNCCN Amb24478041 [2,0,0,0,0,0|2,0,0]=4 382 B9R0.46 COC(=O)CCNOCC Amb24739231 [2,0,0,0,0,0|2,0,0]=4 383 B9R0.46 COC(=O)CCSCCN Amb20623046 [2,0,0,0,0,0|2,0,0]=4 384 B9R0.46 COC(=O)CCSCCN Amb20668423 [2,0,0,0,0,0|2,0,0]=4 385 B9R0.46 COC(=O)CNCCCF Amb24675706 [2,0,0,0,0,0|2,0,0]=4 386 B9R0.46 COC(=O)CNCCCN Amb25128054 [2,0,0,0,0,0|2,0,0]=4 387 B9R0.46 COC(=O)CNOCCC Amb25755786 [2,0,0,0,0,0|2,0,0]=4 388 B9R0.46 COC(=O)COCCCBr Amb24477190 [2,0,0,0,0,0|2,0,0]=4 389 B9R0.46 COC(=O)CSCCCCl Amb22524768 [2,0,0,0,0,0|2,0,0]=4 390 B9R0.46 COC(=O)CSCCCS Amb24733758 [2,0,0,0,0,0|2,0,0]=4 391 B9R0.46 COC(=O)NCCOCC Amb25851319 [2,0,0,0,0,0|2,0,0]=4 392 B9R0.46 COC(=O)OCCCCN Amb24570668 [2,0,0,0,0,0|2,0,0]=4 393 B9R0.46 COC(=O)OCCCCO Amb25056213 [2,0,0,0,0,0|2,0,0]=4 394 B9R0.46 COCCCCC(=O)OC Amb25136902 [2,0,0,0,0,0|1,0,0]=3 395 B9R0.46 COCCCNC(=O)OC Amb17737911 [2,0,0,0,0,0|2,0,0]=4 396 B9R0.46 C\C=C\CCCC(=O)OC Amb24356360 [2,0,0,0,0,0|0,0,2]=4 397 B9R0.46 NCCCCCC(=O)OC Amb1152885 [2,0,0,0,0,0|1,0,0]=3 398 B9R0.46 NCCCCCC(=O)OC Amb16203805 [2,0,0,0,0,0|1,0,0]=3 399 B9R0.46 NCCCCCC(=O)OC Amb1935045 [2,0,0,0,0,0|1,0,0]=3 400 B9R0.46 O=CCCCCC(=O)OC Amb16233585 [2,0,0,0,0,0|1,0,1]=4 401 B11R0.2 CCCCCCC(CC(=O)O)N Amb2229636 [1,1,0,0,0,0|0,0,2]=4 402 B11R0.2 CCCCCCC(O)CC(O)=O Amb18803982 [1,1,0,0,0,0|0,0,2]=4 403 B11R0.2 CCCCCCN(C)CC(O)=O Amb19373387 [1,1,0,0,0,0|1,0,1]=4 404 B11R0.42 CCCCCCCC(=O)C(O)=O Amb22904309 [1,1,0,0,0,0|0,0,2]=4 405 B11R0.42 CCCCCCCC(Br)C(O)=O Amb21520353 [1,1,0,0,0,0|0,0,2]=4 406 B11R0.42 CCCCCCCC(C(=O)O)N Amb2229635 [1,1,0,0,0,0|0,0,2]=4 407 B11R0.42 CCCCCCCC(C)C(O)=O Amb18794410 [1,1,0,0,0,0|0,0,2]=4 408 B11R0.42 CCCCCCCC(O)C(O)=O Amb18790307 [1,1,0,0,0,0|0,0,2]=4 409 B11R0.42 CCCCCCC[C@@H](N)C(O)=O Amb22747720 [1,1,0,0,0,0|0,0,2]=4 410 B11R0.42 C\C(=C\CCCCCC)\C(O)=O Amb22359372 [1,1,0,0,0,0|0,0,2]=4 411 B11R0.46 CCCCCC(CCC(=O)O)C Amb10807482 [1,1,0,0,0,0|0,0,2]=4 412 B11R0.46 CCCCCC(\C=C\C(=O)O)O Amb10549834 [1,1,0,0,0,0|0,0,2]=4 413 B11R0.46 CC\C=C/C[C@@H](O)C#CC(O)=O Amb24443085 [1,1,0,0,0,0|0,0,2]=4 414 B11R0.46 CC\C=C\CC(O)C#CC(O)=O Amb25049813 [1,1,0,0,0,0|0,0,2]=4 415 B11R0.111 CCC(C)CCCCCC(O)=O Amb22232340 [1,1,0,0,0,0|0,0,2]=4 416 B11R0.148 CCCCCCCCC[13C](O)=O Amb22353426 [1,1,0,0,0,0|0,0,2]=4 417 B11R0.148 CCCCCCCCNC(=O)C Amb10562300 [1,1,0,0,0,0|0,0,2]=4 418 B11R0.148 CCCCCCCC[13CH2][13C](O)=O Amb22054843 [1,1,0,0,0,0|0,0,2]=4 419 B11R0.148 CCCCCCCNCC(O)=O Amb19373457 [1,1,0,0,0,0|0,0,2]=4 420 B11R0.148 CCCCCC\C=C\CC(=O)O Amb10807476 [1,1,0,0,0,0|0,0,2]=4 421 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,1,0,0,0,0|0,0,2]=4 422 B11R0.148 [13CH3]CCCCCCCCC(O)=O Amb22367552 [1,1,0,0,0,0|0,0,2]=4 423 B11R0.106 CCC(C)CCCCC(=O)OC Amb22489983 [1,1,0,0,0,0|0,0,1]=3 424 B11R0.106 COC(=O)CCCCC(O)CN Amb23438806 [1,1,0,0,0,0|1,0,1]=4 425 B11R0.106 COC(=O)NCCCC(C)CN Amb24095880 [1,1,0,0,0,0|2,0,0]=4 426 B11R0.142 CCCCCCC(Br)C(=O)OC Amb22002102 [1,1,0,0,0,0|0,0,1]=3 427 B11R0.142 CCCCCCC(O)C(=O)OC Amb18808375 [1,1,0,0,0,0|0,0,1]=3 428 B11R0.154 CCCCCC(=O)CC(=O)OC Amb19515873 [1,1,0,0,0,0|0,0,2]=4 429 B11R0.154 CCCCCC(O)CC(=O)OC Amb21928835 [1,1,0,0,0,0|0,0,1]=3 430 B11R0.174 C\C=C\C(O)CC#CC(=O)OC Amb24352303 [1,1,0,0,0,0|0,0,2]=4 431 B13R0.2 CCCCCCNCCC(=O)OCC Amb18334458 [0,2,0,0,0,0|0,0,2]=4 432 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [0,2,0,0,0,0|0,0,2]=4 433 B13R0.2 CCOC(=O)\C=C\CCCCCCC Amb22035135 [0,2,0,0,0,0|0,0,2]=4 434 B13R0.2 CCOCCCCOCC(=O)OCC Amb24103488 [0,2,0,0,0,0|1,0,1]=4 435 B13R0.2 OCCCCCCCCC(=O)OCC Amb17613857 [0,2,0,0,0,0|0,0,2]=4 436 B13R0.66 CCCCCCCCC(=O)OCC=C Amb22353469 [0,2,0,0,0,0|0,0,2]=4 437 B13R0.66 CCCCCCCCC(=O)OCCC Amb22734143 [0,2,0,0,0,0|0,0,2]=4 438 B13R0.66 CCCCCC\C=C\C(=O)OCC=C Amb17933928 [0,2,0,0,0,0|0,0,2]=4 439 B13R0.87 COC(=O)C#CCCOC(C)OCC Amb22230906 [0,2,0,0,0,0|1,0,0]=3 440 B13R0.193 CCOC(=O)C#CC(O)C#CCCC Amb25332133 [0,2,0,0,0,0|0,0,2]=4 441 B13R0.275 CCCCCCCC(Br)C(=O)OCC Amb24066457 [0,2,0,0,0,0|0,0,2]=4 442 B13R0.275 C\C(=C/CCCCCC)\C(=O)OCC Amb22347682 [0,2,0,0,0,0|0,0,2]=4 443 B13R0.330 CCCCCCC(C)NC(=O)NOC Amb19274525 [0,2,0,0,0,0|1,0,1]=4 444 B13R0.340 CCCCCCCCC(O)C(=O)OC Amb21928816 [0,2,0,0,0,0|0,0,2]=4 445 B13R0.340 CCCCCCCOC(C(=O)OC)C Amb2445105 [0,2,0,0,0,0|0,0,2]=4 446 B13R0.340 CCCCCCNCC(C)C(=O)OC Amb20673379 [0,2,0,0,0,0|0,0,2]=4 447 B13R0.274 CCCCCCCC(=O)CC(=O)OC Amb17617713 [0,2,0,0,0,0|0,0,2]=4 448 B13R0.274 CCCCCCCC(O)CC(=O)OC Amb21928817 [0,2,0,0,0,0|0,0,2]=4 449 B13R0.274 CCCCCCC[C@H](CC(=O)OC)O Amb17615271 [0,2,0,0,0,0|0,0,2]=4 450 B13R0.274 CCCCCCNC(C)CC(=O)OC Amb20673380 [0,2,0,0,0,0|0,0,2]=4 451 B13R0.147 CC#CCCCCCCCC(=O)OC Amb22641576 [0,2,0,0,0,0|0,0,2]=4 452 B13R0.147 CCCCCCCCC#CC(=O)OC Amb22228923 [0,2,0,0,0,0|0,0,0]=2 453 B13R0.147 C\C=C\CCCCCCCC(=O)OC Amb22641574 [0,2,0,0,0,0|0,0,2]=4 454 B13R0.147 OCCCCCCCCCC(=O)OC Amb13887310 [0,2,0,0,0,0|0,0,2]=4 455 B13R0.202 COC(=O)CCCCCCCC(C)C Amb22503804 [0,2,0,0,0,0|0,0,2]=4 456 B13R0.57 CCCCCCC#CC(=O)[Si](C)(C)C Amb10562721 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.24 CCCCC1CC(=O)CCC1 Amb24485994 [1,0,0,1,0,0|0,0,2]=4 458 B11R1.24 CCCCC1CC=CC(=O)C1 Amb24621497 [1,0,0,1,0,0|0,0,2]=4 459 B11R1.24 CCCCC1CCCC(=O)O1 Amb10807434 [1,0,0,1,0,0|0,0,2]=4 460 B11R1.24 CCCC[C@H]1CC(=O)CCC1 Amb24722780 [1,0,0,1,0,0|0,0,2]=4 461 B11R1.27 CCCCCC1C=CC(=O)O1 Amb24766300 [1,0,0,1,0,0|0,0,2]=4 462 B11R1.27 CCCCCC1CC(=O)CC1 Amb24106993 [1,0,0,1,0,0|0,0,2]=4 463 B11R1.27 CCCCCC1CC(=O)CO1 Amb24766911 [1,0,0,1,0,0|1,0,1]=4 464 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [1,0,0,1,0,0|0,0,2]=4 465 B11R1.53 CCC1CCCCC1C(C)=O Amb25097208 [1,0,0,1,0,0|0,0,2]=4 466 B11R1.53 CC[C@@H]1CCCC[C@H]1C(C)=O Amb25232533 [1,0,0,1,0,0|0,0,2]=4 467 B11R1.53 CC[C@H]1CCCCN1C(C)=O Amb25115875 [1,0,0,1,0,0|1,0,1]=4 468 B11R1.53 CC[C@H]1CCCC[C@@H]1C(O)=O Amb25258056 [1,0,0,1,0,0|0,0,2]=4 469 B11R1.57 CC(=O)C=C1CCCC1CC Amb25300095 [1,0,0,1,0,0|0,0,2]=4 470 B11R1.57 CCC1CCCC1=CC(O)=O Amb25296695 [1,0,0,1,0,0|0,0,2]=4 471 B11R1.57 CCC1CCCC1CC(O)=O Amb18125992 [1,0,0,1,0,0|0,0,2]=4 472 B11R1.57 CCC1CCCC1NC(C)=O Amb25225827 [1,0,0,1,0,0|1,0,1]=4 473 B11R1.57 CCC1CCCN1CC(C)=O Amb18791674 [1,0,0,1,0,0|1,0,1]=4 474 B11R1.57 CCC1CCCN1CC(O)=O Amb18971987 [1,0,0,1,0,0|1,0,1]=4 475 B11R1.57 CC[C@@H]1CCC[C@@H]1CC(O)=O Amb24603943 [1,0,0,1,0,0|0,0,2]=4 476 B11R1.86 CC(=O)C[NH+]1CCCCC1C Amb16224767 [1,0,0,1,0,0|1,0,1]=4 477 B11R1.86 CC(=O)\C=C\1/CCCCC1C Amb25709867 [1,0,0,1,0,0|0,0,2]=4 478 B11R1.86 CC/1CCCC\C1=C/C(O)=O Amb22339342 [1,0,0,1,0,0|0,0,2]=4 479 B11R1.86 CC1CCCCC1CC(O)=O Amb22339306 [1,0,0,1,0,0|0,0,2]=4 480 B11R1.86 CC1CCCCN1CC(O)=O Amb21955230 [1,0,0,1,0,0|1,0,1]=4 481 B11R1.86 C[C@@H]1CCCC[C@H]1NC(C)=O Amb25256700 [1,0,0,1,0,0|1,0,1]=4 482 B11R1.86 C[C@H]1CCCC[C@H]1CC(O)=O Amb25241512 [1,0,0,1,0,0|0,0,2]=4 483 B11R1.90 CC1CCCC1C#CC(O)=O Amb25779879 [1,0,0,1,0,0|0,0,0]=2 484 B11R1.90 CC1CCCC1CCC(O)=O Amb18644848 [1,0,0,1,0,0|0,0,2]=4 485 B11R1.90 CC1CCCC1NCC(O)=O Amb25713954 [1,0,0,1,0,0|1,0,1]=4 486 B11R1.90 CC1CCOC1C#CC(O)=O Amb24660589 [1,0,0,1,0,0|1,0,0]=3 487 B11R1.90 C[C@@H]1CCC[C@@H]1CNC(C)=O Amb25685467 [1,0,0,1,0,0|1,0,1]=4 488 B11R1.90 C[C@@H]1CCC[C@H]1CNC(C)=O Amb25274431 [1,0,0,1,0,0|1,0,1]=4 489 B11R1.91 CC(=O)C#CC1CCCCC1 Amb17593738 [1,0,0,1,0,0|0,0,0]=2 490 B11R1.91 CC(=O)C#CC=1CCCCC1 Amb25807614 [1,0,0,1,0,0|0,0,2]=4 491 B11R1.91 CC(=O)CSC1CCCCC1 Amb18807608 [1,0,0,1,0,0|1,0,1]=4 492 B11R1.91 CC(=O)NCC1CCCCC1 Amb23166899 [1,0,0,1,0,0|1,0,1]=4 493 B11R1.91 CC(=O)OCC1CCCCC1 Amb24323616 [1,0,0,1,0,0|1,0,1]=4 494 B11R1.91 CC(=O)SCC1CCCCC1 Amb22353260 [1,0,0,1,0,0|1,0,1]=4 495 B11R1.91 CC(=O)\C=C\C1CCCCC1 Amb24625780 [1,0,0,1,0,0|0,0,2]=4 496 B11R1.91 CC(O)C#CC1CCCCC1 Amb25356404 [1,0,0,1,0,0|0,0,2]=4 497 B11R1.91 OB(O)C#CC1CCCCC1 Amb24487061 [1,0,0,1,0,0|1,0,1]=4 498 B11R1.91 OC(=O)C#CC1CCCCC1 Amb21963916 [1,0,0,1,0,0|0,0,0]=2 499 B11R1.91 OC(=O)C#CC1CCCCO1 Amb25266171 [1,0,0,1,0,0|1,0,0]=3 500 B11R1.91 OC(=O)C#CC1CCOCC1 Amb25127292 [1,0,0,1,0,0|1,0,0]=3 501 B11R1.91 OC(=O)C#CC1COCCC1 Amb25151250 [1,0,0,1,0,0|1,0,0]=3 502 B11R1.91 OC(=O)CNC1CCCCC1 Amb19263851 [1,0,0,1,0,0|1,0,1]=4 503 B11R1.91 OC(=O)\C=C\C1CCCCC1 Amb18960079 [1,0,0,1,0,0|0,0,2]=4 504 B11R1.101 O=C1NCCCCCCCO1 Amb24443710 [1,0,0,1,0,0|1,0,1]=4 505 B11R1.101 OC1CCCCCCCC#C1 Amb25332277 [1,0,0,1,0,0|0,0,2]=4 506 B11R1.107 C[C@H]1CC(=O)CCCCCC1 Amb25059721 [1,0,0,1,0,0|0,0,2]=4 507 B11R1.110 CCCC1CC(=O)CCCC1 Amb25090747 [1,0,0,1,0,0|0,0,2]=4 508 B11R1.110 CCCC1CC(=O)NCCC1 Amb24484588 [1,0,0,1,0,0|1,0,1]=4 509 B11R1.130 CC(O)C#CC1CC1CCC Amb25187658 [1,0,0,1,0,0|0,0,2]=4 510 B11R1.143 CC1CCCCCC1C(O)=O Amb25361762 [1,0,0,1,0,0|0,0,2]=4 511 B11R1.143 CC1CCCCCN1C(C)=O Amb25323036 [1,0,0,1,0,0|1,0,1]=4 512 B11R1.172 CC(=O)NOCC1CCCC1 Amb25711897 [1,0,0,1,0,0|2,0,0]=4 513 B11R1.172 CC(O)C#CCC1CCCC1 Amb25149625 [1,0,0,1,0,0|0,0,2]=4 514 B11R1.172 OC(=O)C#CCC1CCCO1 Amb25289735 [1,0,0,1,0,0|1,0,0]=3 515 B11R1.172 OC(=O)C#CCC1COCC1 Amb24643048 [1,0,0,1,0,0|1,0,0]=3 516 B11R1.172 OC(=O)C#CCN1CCCC1 Amb25765805 [1,0,0,1,0,0|1,0,0]=3 517 B11R1.172 OC(=O)CCCC1CCCC1 Amb19149142 [1,0,0,1,0,0|0,0,2]=4 518 B11R1.172 OC(=O)COCC1CCCC1 Amb21963936 [1,0,0,1,0,0|1,0,1]=4 519 B11R1.172 OC(=O)CSCC1CCCC1 Amb18790439 [1,0,0,1,0,0|1,0,1]=4 520 B11R1.193 CC(=O)C1=CCCC1CCC Amb24356901 [1,0,0,1,0,0|0,0,2]=4 521 B11R1.193 CCCC1CCCC1C(O)=O Amb18644850 [1,0,0,1,0,0|0,0,2]=4 522 B11R1.193 CCCC1CCCN1C(C)=O Amb25366436 [1,0,0,1,0,0|1,0,1]=4 523 B11R1.193 CCCC1CCNC1C(O)=O Amb25241187 [1,0,0,1,0,0|1,0,1]=4 524 B11R1.193 CCC[C@@H]1CCC[C@H]1C(O)=O Amb24726338 [1,0,0,1,0,0|0,0,2]=4 525 B11R1.193 CCC[C@@H]1CCN[C@@H]1C(O)=O Amb24670482 [1,0,0,1,0,0|1,0,1]=4 526 B11R1.193 CCC[C@H]1CCN[C@@H]1C(O)=O Amb25198748 [1,0,0,1,0,0|1,0,1]=4 527 B11R1.204 CCCCC1CCC1C(O)=O Amb24762099 [1,0,0,1,0,0|0,0,2]=4 528 B11R1.204 CCCCC1CNC1C(O)=O Amb25385838 [1,0,0,1,0,0|1,0,1]=4 529 B11R1.241 CCC1OC1CC#CC(C)=O Amb25761541 [1,0,0,1,0,0|1,0,0]=3 530 B11R1.241 CC[C@@H]1O[C@H]1CC#CC(C)=O Amb25263582 [1,0,0,1,0,0|1,0,0]=3 531 B11R1.245 CCC1CC(=O)CCCCC1 Amb25151478 [1,0,0,1,0,0|0,0,2]=4 532 B11R1.245 CCC1CC(=O)NCCCC1 Amb24486135 [1,0,0,1,0,0|1,0,1]=4 533 B11R1.245 CC[C@@H]1CC(=O)CCCCC1 Amb25334919 [1,0,0,1,0,0|0,0,2]=4 534 B11R1.706 CC(=O)C1CCCCCCC1 Amb25327542 [1,0,0,1,0,0|0,0,2]=4 535 B11R1.706 CC(=O)N1CCCCCCC1 Amb2125335 [1,0,0,1,0,0|1,0,1]=4 536 B11R1.706 OC(=O)C1CCCCCCC1 Amb18278612 [1,0,0,1,0,0|0,0,2]=4 537 B11R1.706 OC(=O)C=1CCCCCCC1 Amb25760819 [1,0,0,1,0,0|0,0,2]=4 538 B11R1.742 CC(=O)CC1CCCCCC1 Amb25094261 [1,0,0,1,0,0|0,0,2]=4 539 B11R1.742 OC(=O)CN1CCCCCC1 Amb2536986 [1,0,0,1,0,0|1,0,1]=4 540 B11R1.28 COCC#CC1CCNCC1 Amb25250911 [1,0,0,1,0,0|1,0,1]=4 541 B11R1.51 CCC1CCCCN=C1OC Amb24686801 [1,0,0,1,0,0|1,0,1]=4 542 B11R1.248 COC=1CCCCCCCN1 Amb25188547 [1,0,0,1,0,0|1,0,1]=4 543 B11R1.1 OCCC[C@H]1COC(=O)CC1 Amb25345022 [1,0,0,1,0,0|1,0,1]=4 544 B11R1.25 CCC(=O)CCC1CCCC1 Amb18787531 [1,0,0,1,0,0|1,0,1]=4 545 B11R1.25 CCC(=O)NCC1CCCC1 Amb25820886 [1,0,0,1,0,0|2,0,0]=4 546 B11R1.25 CNC(=O)C#CC1COCC1 Amb25823575 [1,0,0,1,0,0|2,0,0]=4 547 B11R1.25 COC(=O)C#CC1CCCC1 Amb25756477 [1,0,0,1,0,0|0,0,0]=2 548 B11R1.25 COC(=O)CCC1CCCN1 Amb25383432 [1,0,0,1,0,0|1,0,1]=4 549 B11R1.25 COC(=O)CCC1CCCO1 Amb13951567 [1,0,0,1,0,0|1,0,1]=4 550 B11R1.25 COC(=O)CCC1CNCC1 Amb22737489 [1,0,0,1,0,0|1,0,1]=4 551 B11R1.25 COC(=O)CCC1CNCC1 Amb23439087 [1,0,0,1,0,0|1,0,1]=4 552 B11R1.25 COC(=O)CNC1CCCC1 Amb19958344 [1,0,0,1,0,0|1,0,1]=4 553 B11R1.25 COC(=O)CSC1CCCC1 Amb24750765 [1,0,0,1,0,0|1,0,1]=4 554 B11R1.25 COC(=O)NCC1CCCC1 Amb25853291 [1,0,0,1,0,0|1,0,0]=3 555 B11R1.25 COC(=O)NCC1CCCN1 Amb18299490 [1,0,0,1,0,0|2,0,0]=4 556 B11R1.25 COC(=O)NCC1CCCO1 Amb17797257 [1,0,0,1,0,0|2,0,0]=4 557 B11R1.25 COC(=O)NCC1CCCS1 Amb25706602 [1,0,0,1,0,0|2,0,0]=4 558 B11R1.25 COC(=O)NCC1CNCC1 Amb24439839 [1,0,0,1,0,0|2,0,0]=4 559 B11R1.25 COC(=O)NCC1COCC1 Amb25356393 [1,0,0,1,0,0|2,0,0]=4 560 B11R1.25 COC(=O)NC[C@H]1CCCN1 Amb24602276 [1,0,0,1,0,0|2,0,0]=4 561 B11R1.40 CCC(=O)CC1CCCCC1 Amb18796799 [1,0,0,1,0,0|1,0,1]=4 562 B11R1.40 CCC(=O)OC1CCCCC1 Amb20246948 [1,0,0,1,0,0|2,0,0]=4 563 B11R1.40 CNC(=O)CC1CCCCC1 Amb25681975 [1,0,0,1,0,0|1,0,1]=4 564 B11R1.40 CNC(=O)NC1CCCCC1 Amb2132762 [1,0,0,1,0,0|2,0,0]=4 565 B11R1.40 CNC(=O)SC1CCCCC1 Amb24753732 [1,0,0,1,0,0|2,0,0]=4 566 B11R1.40 COC(=N)CC1CCCCC1 Amb25162987 [1,0,0,1,0,0|1,0,1]=4 567 B11R1.40 COC(=N)NC1CCCCC1 Amb24595816 [1,0,0,1,0,0|2,0,0]=4 568 B11R1.40 COC(=O)C=C1CCCCC1 Amb22365303 [1,0,0,1,0,0|0,0,2]=4 569 B11R1.40 COC(=O)CC1CCCCN1 Amb10609609 [1,0,0,1,0,0|1,0,1]=4 570 B11R1.40 COC(=O)CC1CCCCO1 Amb17506863 [1,0,0,1,0,0|1,0,1]=4 571 B11R1.40 COC(=O)CC1CCNCC1 Amb1102592 [1,0,0,1,0,0|1,0,1]=4 572 B11R1.40 COC(=O)CC1CCNCC1 Amb22491687 [1,0,0,1,0,0|1,0,1]=4 573 B11R1.40 COC(=O)CC1CCOCC1 Amb21963544 [1,0,0,1,0,0|1,0,1]=4 574 B11R1.40 COC(=O)CC1CCSCC1 Amb22546400 [1,0,0,1,0,0|1,0,1]=4 575 B11R1.40 COC(=O)CC1CNCCC1 Amb18299988 [1,0,0,1,0,0|1,0,1]=4 576 B11R1.40 COC(=O)CC1COCCC1 Amb24747413 [1,0,0,1,0,0|1,0,1]=4 577 B11R1.40 COC(=O)CN1CCCCC1 Amb2583056 [1,0,0,1,0,0|1,0,1]=4 578 B11R1.40 COC(=O)C[C@@H]1CCCCN1 Amb13885780 [1,0,0,1,0,0|1,0,1]=4 579 B11R1.40 COC(=O)C[C@@H]1CNCCC1 Amb24487698 [1,0,0,1,0,0|1,0,1]=4 580 B11R1.40 COC(=O)C[C@H]1CCCCN1 Amb13885784 [1,0,0,1,0,0|1,0,1]=4 581 B11R1.40 COC(=O)C[C@H]1CNCCC1 Amb24487763 [1,0,0,1,0,0|1,0,1]=4 582 B11R1.40 COC(=O)NC1CCOCC1 Amb24488310 [1,0,0,1,0,0|2,0,0]=4 583 B11R1.40 COC(=O)NC1CCSCC1 Amb24488281 [1,0,0,1,0,0|2,0,0]=4 584 B11R1.40 COC(=O)NC1CSCCC1 Amb24526895 [1,0,0,1,0,0|2,0,0]=4 585 B11R1.40 COC(=O)NN1CCCCC1 Amb2125354 [1,0,0,1,0,0|2,0,0]=4 586 B11R1.40 COC(=O)N[C@H]1CNCCC1 Amb24486711 [1,0,0,1,0,0|2,0,0]=4 587 B11R1.40 COC(=O)O[C@H]1CCCNC1 Amb25125447 [1,0,0,1,0,0|2,0,0]=4 588 B11R1.40 COC(=S)SC1CCCCC1 Amb25370060 [1,0,0,1,0,0|1,1,0]=4 589 B11R1.40 COP(=O)CC1CCCCC1 Amb25786295 [1,0,0,1,0,0|1,0,1]=4 590 B11R1.40 NOC(=O)CC1CCCCC1 Amb22168867 [1,0,0,1,0,0|1,0,1]=4 591 B11R1.40 NOC(=O)NC1CCCCC1 Amb24642623 [1,0,0,1,0,0|2,0,0]=4 592 B11R1.59 CCC(=O)[C@@H]1CCC[C@@H]1CC Amb25347486 [1,0,0,1,0,0|1,0,1]=4 593 B11R1.59 CCC1CCCN1C(=O)CC Amb16981679 [1,0,0,1,0,0|2,0,0]=4 594 B11R1.59 CCC1CCCN1C(=O)OC Amb16981720 [1,0,0,1,0,0|1,0,0]=3 595 B11R1.59 CCC1CCNC1C(=O)OC Amb18126064 [1,0,0,1,0,0|1,0,1]=4 596 B11R1.59 CCC1CNCC1C(=O)OC Amb24441127 [1,0,0,1,0,0|1,0,1]=4 597 B11R1.59 CCC1NCCC1C(=O)OC Amb24486989 [1,0,0,1,0,0|1,0,1]=4 598 B11R1.59 CCN1CCC[C@H]1C(=O)OC Amb16191891 [1,0,0,1,0,0|1,0,1]=4 599 B11R1.59 CC[C@@H]1CCN[C@H]1C(=O)OC Amb24554485 [1,0,0,1,0,0|1,0,1]=4 600 B11R1.59 CC[C@H]1CCN[C@@H]1C(=O)OC Amb24562884 [1,0,0,1,0,0|1,0,1]=4 601 B11R1.59 CNC1CCCC1C(=O)OC Amb25099341 [1,0,0,1,0,0|1,0,1]=4 602 B11R1.59 COC(=O)C1CCCC1CO Amb25137259 [1,0,0,1,0,0|1,0,1]=4 603 B11R1.59 COC(=O)C1CCCC1SC Amb25741008 [1,0,0,1,0,0|1,0,1]=4 604 B11R1.59 COC(=O)N1CCCC1CN Amb18251541 [1,0,0,1,0,0|2,0,0]=4 605 B11R1.59 COC(=O)N1CCCC1CO Amb18787836 [1,0,0,1,0,0|2,0,0]=4 606 B11R1.59 COC(=O)N1CCCC1OC Amb19890180 [1,0,0,1,0,0|2,0,0]=4 607 B11R1.59 COC(=O)N1CCC[C@@H]1CO Amb25675019 [1,0,0,1,0,0|2,0,0]=4 608 B11R1.59 COC(=O)N1CCC[C@H]1CN Amb24640495 [1,0,0,1,0,0|2,0,0]=4 609 B11R1.59 COC(=O)[C@H]1CCC[C@@H]1CO Amb25327545 [1,0,0,1,0,0|1,0,1]=4 610 B11R1.59 COC(=O)[C@H]1CCC[C@H]1CO Amb24697897 [1,0,0,1,0,0|1,0,1]=4 611 B11R1.115 CCCN1CCC1C(=O)OC Amb24762752 [1,0,0,1,0,0|1,0,1]=4 612 B11R1.131 CNC(=O)N[C@@H]1C[C@H]1CCC Amb25051246 [1,0,0,1,0,0|2,0,0]=4 613 B11R1.135 CCCC1CNC(=O)CCC1 Amb25227846 [1,0,0,1,0,0|1,0,1]=4 614 B11R1.189 CCCC1CC(=NCC1)OC Amb24091785 [1,0,0,1,0,0|2,0,0]=4 615 B11R1.218 CCCCC1CC1C(=O)OC Amb24061167 [1,0,0,1,0,0|0,0,1]=3 616 B11R1.222 CC1CCCCC1C(=O)CC Amb25756860 [1,0,0,1,0,0|1,0,1]=4 617 B11R1.222 CC1CCCNC1C(=O)OC Amb23590118 [1,0,0,1,0,0|1,0,1]=4 618 B11R1.222 CC1CCNCC1C(=O)OC Amb22586069 [1,0,0,1,0,0|1,0,1]=4 619 B11R1.222 CC1CCNCC1C(=O)OC Amb23438866 [1,0,0,1,0,0|1,0,1]=4 620 B11R1.222 CC1COCCC1C(=O)OC Amb25779410 [1,0,0,1,0,0|1,0,1]=4 621 B11R1.222 CC1NCCCC1C(=O)OC Amb22728307 [1,0,0,1,0,0|1,0,1]=4 622 B11R1.222 CC1NCCCC1C(=O)OC Amb22755850 [1,0,0,1,0,0|1,0,1]=4 623 B11R1.222 CC1OCCCC1C(=O)OC Amb24619686 [1,0,0,1,0,0|1,0,1]=4 624 B11R1.222 CC=1CCCCC1C(=O)OC Amb24593167 [1,0,0,1,0,0|0,0,2]=4 625 B11R1.222 CCC(=O)N1CCCCC1C Amb17775262 [1,0,0,1,0,0|2,0,0]=4 626 B11R1.222 CNC(=O)N1CCCCC1C Amb2132758 [1,0,0,1,0,0|2,0,0]=4 627 B11R1.222 COC(=O)C1CCCCC1Br Amb24509456 [1,0,0,1,0,0|1,0,1]=4 628 B11R1.222 COC(=O)C1CCCCN1C Amb13886279 [1,0,0,1,0,0|1,0,1]=4 629 B11R1.222 COC(=O)N1CCNCC1C Amb18280305 [1,0,0,1,0,0|2,0,0]=4 630 B11R1.222 COC(=O)N1CCOC[C@H]1C Amb25719999 [1,0,0,1,0,0|2,0,0]=4 631 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N Amb22747096 [1,0,0,1,0,0|1,0,1]=4 632 B11R1.222 COC(=O)[C@H]1CCCCN1C Amb25822507 [1,0,0,1,0,0|1,0,1]=4 633 B11R1.222 COC(=O)[C@H]1CCCC[C@H]1N Amb24515100 [1,0,0,1,0,0|1,0,1]=4 634 B11R1.222 C[C@@H]1CCNC[C@H]1C(=O)OC Amb25210114 [1,0,0,1,0,0|1,0,1]=4 635 B11R1.222 C[C@@H]1CNCC[C@@H]1C(=O)OC Amb23401393 [1,0,0,1,0,0|1,0,1]=4 636 B11R1.222 C[C@@H]1NCCC[C@@H]1C(=O)OC Amb22230837 [1,0,0,1,0,0|1,0,1]=4 637 B11R1.222 C[C@@H]1NCCC[C@H]1C(=O)OC Amb24074130 [1,0,0,1,0,0|1,0,1]=4 638 B11R1.222 C[C@@H]1OCCC[C@@H]1C(=O)OC Amb24339834 [1,0,0,1,0,0|1,0,1]=4 639 B11R1.222 C[C@H]1CCCN[C@H]1C(=O)OC Amb24716098 [1,0,0,1,0,0|1,0,1]=4 640 B11R1.222 C[C@H]1CNCC[C@@H]1C(=O)OC Amb24629238 [1,0,0,1,0,0|1,0,1]=4 641 B11R1.222 C[C@H]1OCCC[C@H]1C(=O)OC Amb25700481 [1,0,0,1,0,0|1,0,1]=4 642 B11R1.228 CC1CCCC1NC(=O)OC Amb25306459 [1,0,0,1,0,0|1,0,0]=3 643 B11R1.228 CC1CSCC1NC(=O)OC Amb24485000 [1,0,0,1,0,0|2,0,0]=4 644 B11R1.228 COC(=O)CC1CCCC1N Amb24533155 [1,0,0,1,0,0|1,0,1]=4 645 B11R1.228 COC(=O)CC1CCCC1O Amb24576964 [1,0,0,1,0,0|1,0,1]=4 646 B11R1.228 COC(=O)CN1CCCC1C Amb18179726 [1,0,0,1,0,0|1,0,1]=4 647 B11R1.228 COC(=O)C[C@@H]1CCC[C@@H]1N Amb24512714 [1,0,0,1,0,0|1,0,1]=4 648 B11R1.228 COC(=O)NC1CCCC1N Amb25269907 [1,0,0,1,0,0|2,0,0]=4 649 B11R1.228 COC(=O)OC1CCCC1O Amb25296056 [1,0,0,1,0,0|2,0,0]=4 650 B11R1.228 COC(=O)O[C@H]1CCC[C@@H]1O Amb25267279 [1,0,0,1,0,0|2,0,0]=4 651 B11R1.228 COC(=O)\C=C/1\CCCC1C Amb24712218 [1,0,0,1,0,0|0,0,2]=4 652 B11R1.228 C[C@H]1NCC[C@@H]1CC(=O)OC Amb24578934 [1,0,0,1,0,0|1,0,1]=4 653 B11R1.236 CCC(=O)NCCC1CCC1 Amb24755364 [1,0,0,1,0,0|2,0,0]=4 654 B11R1.236 COC(=O)C#CCC1CCC1 Amb24610465 [1,0,0,1,0,0|0,0,0]=2 655 B11R1.237 COC(=O)C#CCCC1CC1 Amb25291613 [1,0,0,1,0,0|0,0,0]=2 656 B11R1.255 CCC1CC1CNC(=O)CC Amb24767315 [1,0,0,1,0,0|2,0,0]=4 657 B11R1.255 CC[C@@H]1C[C@H]1CNC(=O)CC Amb24767316 [1,0,0,1,0,0|2,0,0]=4 658 B11R1.255 CNC(=O)NC[C@@H]1C[C@H]1CC Amb24601447 [1,0,0,1,0,0|2,0,0]=4 659 B11R1.276 CCC1CCCNC(=O)CC1 Amb25306110 [1,0,0,1,0,0|2,0,0]=4 660 B11R1.558 CC1CCCCCC(=O)C1C Amb25793014 [1,0,0,1,0,0|1,0,1]=4 661 B11R1.852 CNC(=O)N1CCCCCC1 Amb25268764 [1,0,0,1,0,0|2,0,0]=4 662 B11R1.852 COC(=O)C1CCCCCC1 Amb18182101 [1,0,0,1,0,0|0,0,1]=3 663 B11R1.852 COC(=O)C1CCCCCN1 Amb21963566 [1,0,0,1,0,0|1,0,1]=4 664 B11R1.852 COC(=O)C1CCCCCN1 Amb21964454 [1,0,0,1,0,0|1,0,1]=4 665 B11R1.852 COC(=O)C1CCCNCC1 Amb22170283 [1,0,0,1,0,0|1,0,1]=4 666 B11R1.852 COC(=O)C1CCCNCC1 Amb22230921 [1,0,0,1,0,0|1,0,1]=4 667 B11R1.852 COC(=O)C1CCCOCC1 Amb25806964 [1,0,0,1,0,0|1,0,1]=4 668 B11R1.852 COC(=O)C1CNCCCC1 Amb21963336 [1,0,0,1,0,0|1,0,1]=4 669 B11R1.852 COC(=O)C1CNCCCC1 Amb22490910 [1,0,0,1,0,0|1,0,1]=4 670 B11R1.852 COC(=O)N1CCCCCC1 Amb17789384 [1,0,0,1,0,0|1,0,0]=3 671 B11R1.852 COC(=O)N1CCCNCC1 Amb22886449 [1,0,0,1,0,0|2,0,0]=4 672 B11R1.852 COC(=O)N1CCCOCC1 Amb24720506 [1,0,0,1,0,0|2,0,0]=4 673 B11R1.852 COC(=O)N1CCCSCC1 Amb25057814 [1,0,0,1,0,0|2,0,0]=4 674 B11R1.852 COC(=O)[C@H]1CCCNCC1 Amb24390191 [1,0,0,1,0,0|1,0,1]=4 675 B13R1.42 CCOC(=O)CNC1CCCCC1 Amb19374505 [0,1,0,1,0,0|1,0,1]=4 676 B13R1.42 CCOC(=O)\C=C\C1CCCCC1 Amb10067015 [0,1,0,1,0,0|0,0,2]=4 677 B13R1.42 COCC(=O)NCC1CCCCC1 Amb19384435 [0,1,0,1,0,0|1,0,1]=4 678 B13R1.42 CONC(=O)NOC1CCCCC1 Amb24335175 [0,1,0,1,0,0|2,0,0]=4 679 B13R1.404 COCC(=O)NCCC1CCCC1 Amb15747291 [0,1,0,1,0,0|1,0,1]=4 680 B13R1.443 CCC1CCCC1NC(=O)NOC Amb24473677 [0,1,0,1,0,0|1,0,1]=4 681 B13R1.444 CCOC(=O)C#C[C@H]1CCC[C@@H]1O Amb24719652 [0,1,0,1,0,0|1,0,0]=3 682 B13R1.463 COCC(=O)N1CCCCCC1C Amb25668016 [0,1,0,1,0,0|1,0,1]=4 683 B13R1.463 CONC(=O)N1CCCCCC1C Amb25344694 [0,1,0,1,0,0|1,0,1]=4 684 B13R1.464 CCC1CCCCN1C(=O)NOC Amb25120672 [0,1,0,1,0,0|1,0,1]=4 685 B13R1.470 CC1CCCCC1CC(=O)NOC Amb25271231 [0,1,0,1,0,0|0,0,2]=4 686 B13R1.654 CCCCCCCC1CCOC1=O Amb22230225 [0,1,0,1,0,0|0,0,2]=4 687 B13R1.1464 CCOC(=O)C1CCCCCCC1 Amb25063758 [0,1,0,1,0,0|0,0,2]=4 688 B13R1.1464 CCOC(=O)C1CCCCCCN1 Amb25104056 [0,1,0,1,0,0|1,0,1]=4 689 B13R1.1464 CCOC(=O)N1CCCCCCC1 Amb2125369 [0,1,0,1,0,0|1,0,1]=4 690 B13R1.1464 COCC(=O)C1CCCCCCC1 Amb25368276 [0,1,0,1,0,0|0,0,2]=4 691 B13R1.1464 CONC(=O)C1CCCCCCN1 Amb25692724 [0,1,0,1,0,0|1,0,1]=4 692 B13R1.1464 CONC(=O)N1CCCCCCC1 Amb25226551 [0,1,0,1,0,0|1,0,1]=4 693 B13R1.1575 CCOC(=O)CC1CCCCCC1 Amb10807917 [0,1,0,1,0,0|0,0,2]=4 694 B13R1.1575 CCOC(=O)NN1CCCCCC1 Amb25668045 [0,1,0,1,0,0|2,0,0]=4 695 B13R1.1575 CONC(=O)NC1CCCCCC1 Amb24335269 [0,1,0,1,0,0|1,0,1]=4 696 B13R1.2792 OC1CCOC(=O)CCCCCC1 Amb24462040 [0,1,0,1,0,0|0,0,2]=4 697 B13R1.93 CCC1CCCCC1(O)C(=O)OC Amb25354322 [0,1,0,1,0,0|0,0,2]=4 698 B13R1.135 COC(=O)C(CC1CCCCC1)[NH3+] Amb2425558 [0,1,0,1,0,0|0,0,2]=4 699 B13R1.135 COC(=O)C(F)=CC1CCCCC1 Amb25753563 [0,1,0,1,0,0|0,0,2]=4 700 B13R1.135 COC(=O)C(N)CC1CCCCC1 Amb22751653 [0,1,0,1,0,0|0,0,2]=4 701 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 Amb22745059 [0,1,0,1,0,0|0,0,2]=4 702 B13R1.135 COC(=O)[C@H](CC1CCCCC1)N Amb10844884 [0,1,0,1,0,0|0,0,2]=4 703 B13R1.696 CC1CCCCC1C(Cl)C(=O)OC Amb24738685 [0,1,0,1,0,0|0,0,2]=4 704 B13R1.696 CC1CCCCC1N(C)C(=O)OC Amb24408059 [0,1,0,1,0,0|1,0,1]=4 705 B13R1.1688 COC(=O)C1CCCCCC(O)C1 Amb25180408 [0,1,0,1,0,0|0,0,2]=4 706 B13R1.1689 COC(=O)N1CCCCCCCC1 Amb25097230 [0,1,0,1,0,0|0,0,2]=4 707 B13R1.1843 COC(=O)C1(N)CCCCCCC1 Amb22406520 [0,1,0,1,0,0|0,0,2]=4 708 B13R1.1843 COC(=O)C1(O)CCCCCCC1 Amb18329204 [0,1,0,1,0,0|0,0,2]=4 709 B13R1.1885 CCCCCCC1CC1C(=O)OC Amb24100754 [0,1,0,1,0,0|0,0,2]=4 710 B13R1.2620 COC(=O)C(N)C1CCCCCC1 Amb25676907 [0,1,0,1,0,0|0,0,2]=4 711 B13R1.528 CC1CCCCC1\C=C\C(=O)OC Amb25374527 [0,1,0,1,0,0|0,0,2]=4 712 B13R1.528 COC(=O)NCC1CCCCC1O Amb24643785 [0,1,0,1,0,0|1,0,1]=4 713 B13R1.528 COC(=O)\C=C\N1CCCCC1C Amb25353058 [0,1,0,1,0,0|0,0,2]=4 714 B13R1.718 COC(=O)CCCC1CCNCC1 Amb22499628 [0,1,0,1,0,0|0,0,2]=4 715 B13R1.718 COC(=O)CCCN1CCCCC1 Amb22235542 [0,1,0,1,0,0|0,0,2]=4 716 B13R1.718 COC(=O)CSCC1CCCCN1 Amb22395629 [0,1,0,1,0,0|1,0,1]=4 717 B13R1.718 COC(=O)CSCC1CCNCC1 Amb22395592 [0,1,0,1,0,0|1,0,1]=4 718 B13R1.718 COC(=O)CSCC1CNCCC1 Amb22395608 [0,1,0,1,0,0|1,0,1]=4 719 B13R1.718 COC(=O)NCCN1CCCCC1 Amb22460070 [0,1,0,1,0,0|1,0,1]=4 720 B13R1.718 COC(=O)NN=CC1CCCCC1 Amb25822131 [0,1,0,1,0,0|1,0,1]=4 721 B13R1.1868 COC(=O)CC1CCCCC(N)C1 Amb24728157 [0,1,0,1,0,0|0,0,2]=4 722 B13R1.1868 COC(=O)CN1CC(C)CCCC1 Amb25802746 [0,1,0,1,0,0|1,0,1]=4 723 B13R1.1868 COC(=O)CN1CC(F)CCCC1 Amb24343297 [0,1,0,1,0,0|1,0,1]=4 724 B13R1.2872 CC1CCC(O)CN1CC(=O)OC Amb24618375 [0,1,0,1,0,0|1,0,1]=4 725 B13R1.2872 C[C@@H]1CC[C@@H](O)CN1CC(=O)OC Amb25079964 [0,1,0,1,0,0|1,0,1]=4 726 B13R1.11 CC(NC(=O)OC)C1CCCCC1 Amb24568953 [0,1,0,1,0,0|1,0,1]=4 727 B13R1.11 COC(=O)CC(=O)C1CCCCC1 Amb21864707 [0,1,0,1,0,0|0,0,2]=4 728 B13R1.11 COC(=O)CC(N)C1CCCCC1 Amb18326764 [0,1,0,1,0,0|0,0,2]=4 729 B13R1.11 COC(=O)\C=C(\N)/C1CCCCC1 Amb25153725 [0,1,0,1,0,0|0,0,2]=4 730 B13R1.11 C[C@@H](NC(=O)OC)C1CCCCC1 Amb24592635 [0,1,0,1,0,0|1,0,1]=4 731 B13R1.11 C\C(=C/C(=O)OC)\C1CCCCC1 Amb25100456 [0,1,0,1,0,0|0,0,2]=4 732 B13R1.81 CCC1CC(CCC1)NC(=O)OC Amb25370132 [0,1,0,1,0,0|1,0,1]=4 733 B13R1.546 COC(=O)C1CCCCCCC1=O Amb22270247 [0,1,0,1,0,0|0,0,2]=4 734 B13R1.546 COC(=O)C1CCCCCCC1N Amb20668749 [0,1,0,1,0,0|0,0,2]=4 735 B13R1.546 COC(=O)C1CCCCCCC1N Amb25114777 [0,1,0,1,0,0|0,0,2]=4 736 B13R1.546 COC(=O)C1CCCCCCC1O Amb24495767 [0,1,0,1,0,0|0,0,2]=4 737 B13R1.546 COC(=O)C=1CCCCCCC1O Amb24665622 [0,1,0,1,0,0|0,0,2]=4 738 B13R1.546 COC(=O)[C@@H]1CCCCCC[C@@H]1O Amb24619178 [0,1,0,1,0,0|0,0,2]=4 739 B13R1.1870 COC(=O)C=C1CCCCCCC1 Amb25180453 [0,1,0,1,0,0|0,0,2]=4 740 B13R1.1870 COC(=O)NC1CCCCCCC1 Amb17739564 [0,1,0,1,0,0|0,0,2]=4 741 B13R1.1870 COC(=O)NC=1CCCCCCC1 Amb25224448 [0,1,0,1,0,0|0,0,2]=4 742 B13R1.1870 COC(=O)OC1CCCCCCC1 Amb25782061 [0,1,0,1,0,0|0,0,2]=4 743 B13R1.2931 CC1C(C1CCCCC)C(=O)OC Amb24061288 [0,1,0,1,0,0|0,0,2]=4 744 B13R1.4917 COC(=O)CC1(O)CCCCCC1 Amb25105688 [0,1,0,1,0,0|0,0,2]=4 745 B13R1.15 CC1CCCC(CNC(=O)OC)N1 Amb18988149 [0,1,0,1,0,0|1,0,1]=4 746 B13R1.15 COC(=O)NCC1CCCC(N)C1 Amb25772003 [0,1,0,1,0,0|1,0,1]=4 747 B13R1.527 COC(=O)CN1CCCCCC1C Amb24746790 [0,1,0,1,0,0|0,0,2]=4 748 B13R1.527 COC(=O)CN1CCCOCC1C Amb24414795 [0,1,0,1,0,0|1,0,1]=4 749 B13R1.527 COC(=O)CN1CCOCCC1C Amb24343298 [0,1,0,1,0,0|1,0,1]=4 750 B13R1.527 COC(=O)NC1CCCCCC1N Amb25137506 [0,1,0,1,0,0|1,0,1]=4 751 B13R1.527 COC(=O)OC1CCCCCC1N Amb24441842 [0,1,0,1,0,0|1,0,1]=4 752 B13R1.1711 COC(=O)C#CC1CCCCCC1 Amb25278204 [0,1,0,1,0,0|0,0,0]=2 753 B13R1.1711 COC(=O)NCC1CCCCCC1 Amb24626429 [0,1,0,1,0,0|0,0,2]=4 754 B13R1.1711 COC(=O)NN=C1CCCCCC1 Amb17739457 [0,1,0,1,0,0|1,0,1]=4 755 B13R1.1711 COC(=O)\C=C\C1CCCCCC1 Amb24702978 [0,1,0,1,0,0|0,0,2]=4 756 B13R1.2045 COC(=O)C#CC1(O)CCCCC1 Amb2229139 [0,1,0,1,0,0|0,0,0]=2 757 B13R1.2045 COC(=O)NCC1(N)CCCCC1 Amb18291170 [0,1,0,1,0,0|1,0,1]=4 758 B13R1.2045 COC(=O)\C=C\C1(C)CCCCC1 Amb24607671 [0,1,0,1,0,0|0,0,2]=4 759 B13R1.4928 COC(=O)NC1C(C)CCCC1C Amb24614067 [0,1,0,1,0,0|1,0,1]=4 760 B13R1.14 CC1CCC(CNC(=O)OC)CC1 Amb24723470 [0,1,0,1,0,0|1,0,1]=4 761 B13R1.14 COC(=O)CCC1CCC(N)CC1 Amb23453159 [0,1,0,1,0,0|0,0,2]=4 762 B13R1.14 COC(=O)CCC1CCC(O)CC1 Amb23453161 [0,1,0,1,0,0|0,0,2]=4 763 B13R1.14 COC(=O)CSC1CCC(N)CC1 Amb19031568 [0,1,0,1,0,0|1,0,1]=4 764 B13R1.40 CC1CCCN(CC(=O)OC)C1C Amb18323326 [0,1,0,1,0,0|1,0,1]=4 765 B13R1.40 CC1CCC\C(=C\C(=O)OC)\C1C Amb25776367 [0,1,0,1,0,0|0,0,2]=4 766 B13R1.1869 CC1CCC(CCC1)NC(=O)OC Amb25191577 [0,1,0,1,0,0|1,0,1]=4 767 B13R1.1869 COC(=O)CN1CCCC(C)CC1 Amb24660068 [0,1,0,1,0,0|1,0,1]=4 768 B13R1.1869 COC(=O)CN1CCCC(O)CC1 Amb25297992 [0,1,0,1,0,0|1,0,1]=4 769 B13R1.547 CC(C)C1CCCNC1C(=O)OC Amb25326256 [0,1,0,1,0,0|1,0,1]=4 770 B13R1.547 CC(C)[C@@H]1CCCN[C@@H]1C(=O)OC Amb25294377 [0,1,0,1,0,0|1,0,1]=4 771 B13R1.598 COC(=O)C#CC1CCCC1(C)C Amb25044692 [0,1,0,1,0,0|0,0,0]=2 772 B13R1.1708 CC(C)C[C@@H]1C[C@H]1C#CC(=O)OC Amb25232066 [0,1,0,1,0,0|0,0,0]=2 773 B13R1.91 CCC1CCCCC1NC(=O)OC Amb25301109 [0,1,0,1,0,0|0,0,2]=4 774 B13R1.91 COC(=O)CC1CCCCC1OC Amb23538297 [0,1,0,1,0,0|0,0,2]=4 775 B13R1.91 COC(=O)NC1CCCCC1CN Amb25287998 [0,1,0,1,0,0|1,0,1]=4 776 B13R1.91 COC(=O)NC1CCCCC1CO Amb25673723 [0,1,0,1,0,0|1,0,1]=4 777 B13R1.91 COC(=O)N[C@@H]1CCCC[C@H]1CO Amb24386634 [0,1,0,1,0,0|1,0,1]=4 778 B13R1.91 COC(=O)N[C@H]1CCCC[C@@H]1OC Amb25031688 [0,1,0,1,0,0|1,0,1]=4 779 B13R1.382 CCCC1CCC=CN1C(=O)OC Amb24060025 [0,1,0,1,0,0|0,0,2]=4 780 B13R1.536 COC(=O)C#CCCC1CCCC1 Amb24758508 [0,1,0,1,0,0|0,0,0]=2 781 B13R1.536 COC(=O)C#CCOC1CCCC1 Amb24431844 [0,1,0,1,0,0|0,0,0]=2 782 B13R1.599 CC1CCCC1N\C=C\C(=O)OC Amb25841860 [0,1,0,1,0,0|0,0,2]=4 783 B13R1.611 CCC1CCCCCN1C(=O)OC Amb25155679 [0,1,0,1,0,0|0,0,2]=4 784 B13R1.611 COC(=O)N1CCCCCC1CN Amb25778851 [0,1,0,1,0,0|1,0,1]=4 785 B13R1.613 CCC1CCCC1=NNC(=O)OC Amb24430786 [0,1,0,1,0,0|1,0,1]=4 786 B13R1.613 COC(=O)C#CC1CCOC1CC Amb24405636 [0,1,0,1,0,0|0,0,0]=2 787 B13R1.107 CCC1C(Cl)CCNC1C(=O)OC Amb25090878 [0,1,0,1,0,0|1,0,1]=4 788 B13R1.107 COC(=O)C1OCCC(Cl)C1CC Amb25841009 [0,1,0,1,0,0|1,0,1]=4 789 B13R1.107 COC(=O)[C@H]1OCCC(Cl)[C@@H]1CC Amb24574745 [0,1,0,1,0,0|1,0,1]=4 790 B13R1.107 COC(=O)[C@H]1OCC[C@@H](Cl)C1CC Amb25176640 [0,1,0,1,0,0|1,0,1]=4 791 B13R1.107 COC(=O)[C@H]1OCC[C@H](Cl)[C@H]1CC Amb25224424 [0,1,0,1,0,0|1,0,1]=4 792 B13R1.2679 CC1CC(C)C(CC1)NC(=O)OC Amb25270888 [0,1,0,1,0,0|1,0,1]=4 793 B13R1.2679 CC1CC(C)N(CC(=O)OC)CC1 Amb19069360 [0,1,0,1,0,0|1,0,1]=4 794 B13R1.2679 C[C@H]1C[C@@H](O)CCN1CC(=O)OC Amb24640229 [0,1,0,1,0,0|1,0,1]=4 795 B13R2.3729 O=C1NCC2CCCCCC2O1 Amb25378885 [0,0,0,2,0,0|1,0,1]=4 796 B13R2.3729 O=C1NC[C@@H]2CCCCC[C@@H]2O1 Amb25276457 [0,0,0,2,0,0|1,0,1]=4 797 B13R2.5037 O=C1COC2(CO1)CCCCC2 Amb24060709 [0,0,0,2,0,0|1,0,1]=4 798 B13R2.7 CCC1CCCC12COC(=O)N2 Amb25241318 [0,0,0,2,0,0|1,0,1]=4 799 B13R2.10 O=C1NC(CO1)C2CCCCC2 Amb24422007 [0,0,0,2,0,0|1,0,1]=4 800 B13R2.10 O=C1N[C@H](CO1)C2CCCCC2 Amb24374668 [0,0,0,2,0,0|1,0,1]=4 801 B13R2.142 O=C1NC(CC2CCCC2)CO1 Amb24600592 [0,0,0,2,0,0|1,0,1]=4 802 B13R2.4688 O=C1C=C2CCCCCCC2O1 Amb25111906 [0,0,0,2,0,0|0,0,2]=4 803 B13R2.4688 O=C1N[C@@H]2CCCCCC[C@@H]2O1 Amb25289252 [0,0,0,2,0,0|1,0,1]=4 804 B13R2.4688 O=C1N[C@H]2CCCCCC[C@@H]2O1 Amb25343907 [0,0,0,2,0,0|1,0,1]=4 805 B13R2.528 COC(=O)C1CC12CCCCC2 Amb25855575 [0,0,0,2,0,0|0,0,2]=4 806 B13R2.1106 COC(=O)NC1C2CCC1CC2 Amb25224341 [0,0,0,2,0,0|1,0,1]=4 807 B13R2.1106 COC(=O)NC1[C@@H]2CC[C@H]1CC2 Amb24695146 [0,0,0,2,0,0|1,0,1]=4 808 B13R2.1153 COC(=O)C1CC2CCC1CC2 Amb25323567 [0,0,0,2,0,0|0,0,2]=4 809 B13R2.1153 COC(=O)N1CC2CCC1CC2 Amb25831782 [0,0,0,2,0,0|1,0,1]=4 810 B13R2.1153 COC(=O)N1OC2CCC1CC2 Amb24627354 [0,0,0,2,0,0|2,0,0]=4 811 B13R2.1153 COC(=O)[C@H]1NC2CCC1CC2 Amb25074055 [0,0,0,2,0,0|1,0,1]=4 812 B13R2.15195 COC(=O)NC1C2CCCCC21 Amb25767463 [0,0,0,2,0,0|1,0,1]=4 813 B13R2.534 COC(=O)C1CCCCC12CC2 Amb25781708 [0,0,0,2,0,0|0,0,2]=4 814 B13R2.1100 COC(=O)N1C2CCCC1CC2 Amb24566103 [0,0,0,2,0,0|1,0,1]=4 815 B13R2.1095 COC(=O)[C@H]1NC[C@@H]2CCC[C@@H]21 Amb22585305 [0,0,0,2,0,0|1,0,1]=4 816 B13R2.1095 COC(=O)[C@H]1NC[C@H]2[C@@H]1CCC2 Amb2382898 [0,0,0,2,0,0|1,0,1]=4 817 B13R2.6859 COC(=O)CN1CC2CC1CC2 Amb18793329 [0,0,0,2,0,0|1,0,1]=4 818 B13R2.6859 COC(=O)N[C@H]1C[C@H]2C[C@@H]1CC2 Amb24664102 [0,0,0,2,0,0|1,0,1]=4 819 B13R2.5685 COC(=O)NC1CCCC2CC21 Amb24453802 [0,0,0,2,0,0|1,0,1]=4 820 B13R2.1197 COC(=O)CN1CC2CCCC12 Amb25187784 [0,0,0,2,0,0|1,0,1]=4 821 B13R2.15199 COC(=O)CN1CCC12CCC2 Amb25345644 [0,0,0,2,0,0|1,0,1]=4 822 B13R2.1079 COC(=O)N1CCCC1C2CC2 Amb25855667 [0,0,0,2,0,0|1,0,1]=4 823 B13R2.1191 COC(=O)N1CCCC12CCC2 Amb25256504 [0,0,0,2,0,0|1,0,1]=4 824 B13R2.537 COC(=O)NC1CC12CCCC2 Amb24466741 [0,0,0,2,0,0|1,0,1]=4 825 B13R2.531 COC(=O)N1CC2CCCC2C1 Amb24341920 [0,0,0,2,0,0|1,0,1]=4