0 B12R0.1 BrCCCCCCCC(=O)OCC Amb10604167 [0,0,0,0,0,0|1,0,2]=3 1 B12R0.1 CCCC(=O)NCCCCCCO Amb24072634 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.1 CCCCCCCCC(=O)NCO Amb22043215 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.1 CCCCCCCCC(=O)OC=C Amb17672563 [0,0,0,0,0,0|0,0,4]=4 4 B12R0.1 CCCNCCCOC(=O)CCC Amb18266004 [0,0,0,0,0,0|3,0,1]=4 5 B12R0.1 CCOC(=O)C#CCCCCCC Amb19888150 [0,0,0,0,0,0|0,0,0]=0 6 B12R0.1 CCOC(=O)CCCCCCCCl Amb22002672 [0,0,0,0,0,0|1,0,2]=3 7 B12R0.1 CCOC(=O)CCCCCCCF Amb24063238 [0,0,0,0,0,0|1,0,2]=3 8 B12R0.1 CCOC(=O)CCCCCCCN Amb19375589 [0,0,0,0,0,0|1,0,2]=3 9 B12R0.1 CNCC(=O)NCCCCCCC Amb20141923 [0,0,0,0,0,0|3,0,1]=4 10 B12R0.1 C\C=C\C(=O)C#CC#CCCCC Amb25263629 [0,0,0,0,0,0|1,0,3]=4 11 B12R0.1 C\C=C\C(=O)OCCCCCCC Amb22730254 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.4 CCCC(=O)NCCCCCN Amb18618681 [1,0,0,0,0,0|3,0,0]=4 13 B11R0.4 CCCCCCCC(=O)OC=C Amb17672562 [1,0,0,0,0,0|0,0,3]=4 14 B11R0.4 CCCCCCNC(=O)CCC Amb17855601 [1,0,0,0,0,0|2,0,0]=3 15 B11R0.4 CCCCSCCC(=O)OCC Amb1032991 [1,0,0,0,0,0|1,0,1]=3 16 B11R0.4 CCC\C=C\CCC(=O)OCC Amb22230696 [1,0,0,0,0,0|0,0,3]=4 17 B11R0.4 CCOC(=O)CCCCCCO Amb22230670 [1,0,0,0,0,0|1,0,1]=3 18 B11R0.4 CCOC(=O)CCCOCCI Amb22499114 [1,0,0,0,0,0|2,0,1]=4 19 B11R0.4 CCOC(=O)CCOCCCN Amb18111491 [1,0,0,0,0,0|2,0,1]=4 20 B11R0.4 CCOC(=O)CCOCCNC Amb18111839 [1,0,0,0,0,0|2,0,1]=4 21 B11R0.4 CCOC(=O)NCCCCCN Amb24103492 [1,0,0,0,0,0|2,0,0]=3 22 B11R0.4 C\C=C\C(=O)OCCCCCC Amb22363334 [1,0,0,0,0,0|2,0,1]=4 23 B11R0.4 OCCCCCNC(=O)NCC Amb13883049 [1,0,0,0,0,0|3,0,0]=4 24 B11R0.4 OCCCCCNC(=O)OCC Amb13883047 [1,0,0,0,0,0|2,0,0]=3 25 B11R0.40 CCC(=O)C#CC#CCCCO Amb24620038 [1,0,0,0,0,0|1,0,2]=4 26 B11R0.40 CCCCCCC#CC(=O)CC Amb10562239 [1,0,0,0,0,0|0,0,0]=1 27 B11R0.40 CCCCCCCNC(=O)CBr Amb17323631 [1,0,0,0,0,0|2,0,1]=4 28 B11R0.40 CCCCCCCNC(=O)CCl Amb17329833 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.40 CCCCCCCNC(=O)CN Amb24115161 [1,0,0,0,0,0|2,0,1]=4 30 B11R0.40 CCCCC\C=C\CC(=O)OC Amb10807478 [1,0,0,0,0,0|0,0,3]=4 31 B11R0.40 CCCNCCCOC(=O)CC Amb18263176 [1,0,0,0,0,0|2,0,1]=4 32 B11R0.40 COC(=O)CCCCCCCBr Amb24063235 [1,0,0,0,0,0|1,0,2]=4 33 B11R0.40 COC(=O)CCCCCCCN Amb20669115 [1,0,0,0,0,0|1,0,2]=4 34 B11R0.40 COC(=O)CCCCCCCN Amb24331924 [1,0,0,0,0,0|1,0,2]=4 35 B11R0.40 COC(=O)NCCCCCCO Amb24095886 [1,0,0,0,0,0|2,0,1]=4 36 B13R0.2 CCCCCCCCOC(=O)CCC Amb22043399 [0,1,0,0,0,0|1,0,2]=4 37 B13R0.2 CCCCCCNCCC(=O)OCC Amb18334458 [0,1,0,0,0,0|0,0,2]=3 38 B13R0.2 CCCCC\C=C\CCC(=O)OCC Amb22052631 [0,1,0,0,0,0|0,0,3]=4 39 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [0,1,0,0,0,0|0,0,2]=3 40 B13R0.2 CCOC(=O)\C=C\CCCCCCC Amb22035135 [0,1,0,0,0,0|0,0,2]=3 41 B13R0.2 CCOCCCCOCC(=O)OCC Amb24103488 [0,1,0,0,0,0|1,0,1]=3 42 B13R0.2 OCCCCCCCCC(=O)OCC Amb17613857 [0,1,0,0,0,0|0,0,2]=3 43 B13R0.66 CCCCCCCCC(=O)OCC=C Amb22353469 [0,1,0,0,0,0|0,0,3]=4 44 B13R0.66 CCCCCCCCC(=O)OCCC Amb22734143 [0,1,0,0,0,0|0,0,2]=3 45 B13R0.66 CCCCCCCNC(=O)CCCCl Amb17323882 [0,1,0,0,0,0|2,0,1]=4 46 B13R0.66 CCCCCCCNC(=O)CNCC Amb20141763 [0,1,0,0,0,0|2,0,1]=4 47 B13R0.66 CCCCCCCOC(=O)CCCCl Amb19960304 [0,1,0,0,0,0|2,0,1]=4 48 B13R0.66 CCCCCC\C=C\C(=O)OCC=C Amb17933928 [0,1,0,0,0,0|0,0,3]=4 49 B13R0.193 CCOC(=O)C#CC(O)C#CCCC Amb25332133 [0,1,0,0,0,0|0,0,2]=3 50 B13R0.193 CCOC(=O)NNC(=O)CCCCC Amb21445752 [0,1,0,0,0,0|2,0,1]=4 51 B13R0.275 CCCCCCCC(Br)C(=O)OCC Amb24066457 [0,1,0,0,0,0|0,0,2]=3 52 B13R0.275 C\C(=C/CCCCCC)\C(=O)OCC Amb22347682 [0,1,0,0,0,0|0,0,2]=3 53 B13R0.330 CCCCCCC(C)NC(=O)NCC Amb19200493 [0,1,0,0,0,0|2,0,1]=4 54 B13R0.1338 CCCCCCCCS(=O)(=O)OCC Amb22491818 [0,1,0,0,0,0|1,0,2]=4 55 B13R1.42 CCNC(=O)CSC1CCCCC1 Amb21120141 [0,0,0,1,0,0|2,0,1]=4 56 B13R1.42 CCOC(=O)CCC1CCCCN1 Amb18328931 [0,0,0,1,0,0|1,0,2]=4 57 B13R1.42 CCOC(=O)CCC1CCNCC1 Amb22230647 [0,0,0,1,0,0|1,0,2]=4 58 B13R1.42 CCOC(=O)CCC1CNCCC1 Amb22482039 [0,0,0,1,0,0|1,0,2]=4 59 B13R1.42 CCOC(=O)CCN1CCCCC1 Amb1981444 [0,0,0,1,0,0|1,0,2]=4 60 B13R1.42 CCOC(=O)CNC1CCCCC1 Amb19374505 [0,0,0,1,0,0|1,0,1]=3 61 B13R1.42 CCOC(=O)COC1CCCNC1 Amb23586041 [0,0,0,1,0,0|2,0,1]=4 62 B13R1.42 CCOC(=O)CSC1CCNCC1 Amb22395537 [0,0,0,1,0,0|2,0,1]=4 63 B13R1.42 CCOC(=O)NN=C1CCCCC1 Amb17919209 [0,0,0,1,0,0|2,0,1]=4 64 B13R1.42 CCOC(=O)\C=C\C1CCCCC1 Amb10067015 [0,0,0,1,0,0|0,0,2]=3 65 B13R1.42 CCOC(=O)\C=C\N1CCCCC1 Amb15691754 [0,0,0,1,0,0|1,0,2]=4 66 B13R1.190 CC1CC(=O)OC1CCCCCC Amb22001856 [0,0,0,1,0,0|2,0,1]=4 67 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,0,0,1,0,0|1,0,2]=4 68 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,0,0,1,0,0|1,0,2]=4 69 B13R1.279 O=C1NCCCCCCCCCN1 Amb24616274 [0,0,0,1,0,0|2,0,1]=4 70 B13R1.404 CCOC(=O)CCNC1CCCC1 Amb19887560 [0,0,0,1,0,0|1,0,2]=4 71 B13R1.404 CCOC(=O)CSCC1CCCN1 Amb22395575 [0,0,0,1,0,0|2,0,1]=4 72 B13R1.404 CCOC(=O)\C=N/OC1CCCC1 Amb24103474 [0,0,0,1,0,0|2,0,1]=4 73 B13R1.443 CCNC(=O)NC1CCCC1CC Amb25206172 [0,0,0,1,0,0|2,0,1]=4 74 B13R1.443 CCOC(=O)NN1CCCC1CO Amb24103514 [0,0,0,1,0,0|3,0,0]=4 75 B13R1.444 CC1CCCC1CNC(=O)NCC Amb25157709 [0,0,0,1,0,0|2,0,1]=4 76 B13R1.444 CCOC(=O)C#C[C@H]1CCC[C@@H]1O Amb24719652 [0,0,0,1,0,0|1,0,0]=2 77 B13R1.463 CCNC(=O)N1CCCCCC1C Amb24416414 [0,0,0,1,0,0|2,0,1]=4 78 B13R1.463 CCOC(=O)C1CCCCCC1O Amb24391606 [0,0,0,1,0,0|1,0,2]=4 79 B13R1.463 CCOC(=O)N1CCCNCC1C Amb17578442 [0,0,0,1,0,0|2,0,1]=4 80 B13R1.463 CCOC(=O)N1CCNCCC1C Amb17578444 [0,0,0,1,0,0|2,0,1]=4 81 B13R1.463 CCOC(=O)N1CCSCCC1C Amb24732657 [0,0,0,1,0,0|2,0,1]=4 82 B13R1.463 CCOC(=O)[C@@H]1CCCCC[C@H]1O Amb24593894 [0,0,0,1,0,0|1,0,2]=4 83 B13R1.463 CCOC(=O)[C@H]1CCCCC[C@@H]1O Amb24556803 [0,0,0,1,0,0|1,0,2]=4 84 B13R1.463 CCOC(=O)[C@H]1CCCCC[C@H]1O Amb10601393 [0,0,0,1,0,0|1,0,2]=4 85 B13R1.470 CC1CCCCC1CC(=O)NCC Amb24404326 [0,0,0,1,0,0|1,0,2]=4 86 B13R1.470 CC1CCCCC1NC(=O)NCC Amb25375686 [0,0,0,1,0,0|2,0,1]=4 87 B13R1.470 CC1CCNCC1NC(=O)OCC Amb25281401 [0,0,0,1,0,0|2,0,1]=4 88 B13R1.470 CC1CNCCC1CC(=O)OCC Amb23439503 [0,0,0,1,0,0|1,0,2]=4 89 B13R1.470 CCCC(=O)NC1CCCCC1C Amb13958262 [0,0,0,1,0,0|2,0,1]=4 90 B13R1.470 CCNC(=O)CN1CCCCC1C Amb24732895 [0,0,0,1,0,0|2,0,1]=4 91 B13R1.470 CCOC(=O)NC1CCCCC1Cl Amb25290230 [0,0,0,1,0,0|2,0,1]=4 92 B13R1.470 CCOC(=O)NC1CCCCC1N Amb18971455 [0,0,0,1,0,0|2,0,1]=4 93 B13R1.470 CCOC(=O)NC1CCCCC1O Amb18327402 [0,0,0,1,0,0|2,0,1]=4 94 B13R1.470 CCOC(=O)N[C@@H]1CCCC[C@H]1F Amb24430699 [0,0,0,1,0,0|2,0,1]=4 95 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@@H]1Cl Amb24539929 [0,0,0,1,0,0|2,0,1]=4 96 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@@H]1O Amb24406162 [0,0,0,1,0,0|2,0,1]=4 97 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@H]1Cl Amb24760178 [0,0,0,1,0,0|2,0,1]=4 98 B13R1.470 CCOC(=O)\C=C/1\CCCCC1Cl Amb25785178 [0,0,0,1,0,0|1,0,2]=4 99 B13R1.470 CCOC(=O)\C=C\1/CCNCC1C Amb25082894 [0,0,0,1,0,0|1,0,2]=4 100 B13R1.654 CCCCCCCC1CCOC1=O Amb22230225 [0,0,0,1,0,0|0,0,2]=3 101 B13R1.654 CCCCCCCN1CCCC1=O Amb20621393 [0,0,0,1,0,0|2,0,1]=4 102 B13R1.654 O=C1OCCN1C#CCCCCCl Amb25708123 [0,0,0,1,0,0|2,0,1]=4 103 B13R1.1464 CCCC(=O)C=1CCCCCCC1 Amb24496639 [0,0,0,1,0,0|1,0,2]=4 104 B13R1.1464 CCCC(=O)N1CCCCCCC1 Amb2125376 [0,0,0,1,0,0|2,0,1]=4 105 B13R1.1464 CCNC(=O)C1CCCCCCN1 Amb25056210 [0,0,0,1,0,0|2,0,1]=4 106 B13R1.1464 CCNC(=O)N1CCCCCCC1 Amb25829881 [0,0,0,1,0,0|2,0,1]=4 107 B13R1.1464 CCOC(=O)C1CCCCCCC1 Amb25063758 [0,0,0,1,0,0|0,0,2]=3 108 B13R1.1464 CCOC(=O)C1CCCCCCN1 Amb25104056 [0,0,0,1,0,0|1,0,1]=3 109 B13R1.1464 CCOC(=O)N1CCCCCCC1 Amb2125369 [0,0,0,1,0,0|1,0,1]=3 110 B13R1.1575 CCNC(=O)CN1CCCCCC1 Amb19968792 [0,0,0,1,0,0|2,0,1]=4 111 B13R1.1575 CCOC(=O)CC1CCCCCC1 Amb10807917 [0,0,0,1,0,0|0,0,2]=3 112 B13R1.1575 CCOC(=O)CC1CCCCCN1 Amb22498856 [0,0,0,1,0,0|1,0,2]=4 113 B13R1.1575 CCOC(=O)CN1CCNCCC1 Amb1121184 [0,0,0,1,0,0|2,0,1]=4 114 B13R1.1575 CCOC(=O)NC1CCCOCC1 Amb24732658 [0,0,0,1,0,0|2,0,1]=4 115 B13R1.1575 CCOC(=O)NC1CNCCCC1 Amb25047115 [0,0,0,1,0,0|2,0,1]=4 116 B13R1.1575 CCOC(=O)NN1CCCCCC1 Amb25668045 [0,0,0,1,0,0|2,0,0]=3 117 B13R1.1575 CCOC(=O)\C=C/1\CCCCCN1 Amb18823238 [0,0,0,1,0,0|1,0,2]=4 118 B13R1.1575 CCOC(=O)\C=C\1/CCCCCN1 Amb22725441 [0,0,0,1,0,0|1,0,2]=4 119 B13R1.2792 OC1CCOC(=O)CCCCCC1 Amb24462040 [0,0,0,1,0,0|1,0,2]=4 120 B10R0.71 CCCCCC#C\C=C/CO Amb17593798 [2,0,0,0,0,0|2,0,0]=4 121 B10R0.71 CCCCCC#C\C=C\CO Amb25383013 [2,0,0,0,0,0|2,0,0]=4 122 B10R0.1 CCNC(=O)CCNCCC Amb18797397 [2,0,0,0,0,0|2,0,0]=4 123 B10R0.1 CCOC(=O)C#CCCC=O Amb25385919 [2,0,0,0,0,0|1,0,1]=4 124 B10R0.1 CCOC(=O)CCCCC=O Amb22230667 [2,0,0,0,0,0|1,0,1]=4 125 B10R0.1 CCOC(=O)CCCOCC Amb22336385 [2,0,0,0,0,0|1,0,0]=3 126 B10R0.1 CCOC(=O)CCNCCN Amb18792258 [2,0,0,0,0,0|2,0,0]=4 127 B10R0.1 CCOC(=O)CCSCCN Amb18178450 [2,0,0,0,0,0|2,0,0]=4 128 B10R0.1 NCCCCCC(=O)OCC Amb10553125 [2,0,0,0,0,0|1,0,0]=3 129 B10R0.74 BrCCCCCCC(=O)OC Amb10604007 [2,0,0,0,0,0|1,0,1]=4 130 B10R0.74 CCC(=O)NCCCCCN Amb18102728 [2,0,0,0,0,0|2,0,0]=4 131 B10R0.74 CCCCCC#CC(=O)C=C Amb17593739 [2,0,0,0,0,0|0,0,2]=4 132 B10R0.74 CCCCCC#CC(=O)CF Amb25383110 [2,0,0,0,0,0|1,0,0]=3 133 B10R0.74 CCCCCC#CC(=O)NN Amb24391165 [2,0,0,0,0,0|2,0,0]=4 134 B10R0.74 CCCCCC=CC(=O)OC Amb24066773 [2,0,0,0,0,0|0,0,2]=4 135 B10R0.74 CCCCCCCC(=O)SC Amb22366709 [2,0,0,0,0,0|0,1,1]=4 136 B10R0.74 CCCCCCNC(=O)CBr Amb17331633 [2,0,0,0,0,0|2,0,0]=4 137 B10R0.74 CCCCCCNC(=O)OC Amb17859513 [2,0,0,0,0,0|1,0,0]=3 138 B10R0.74 CCCCCCOC(=O)CC Amb22168098 [2,0,0,0,0,0|1,0,0]=3 139 B10R0.74 CCCCCC\C=C(\I)/CC Amb22641682 [2,0,0,0,0,0|1,0,1]=4 140 B10R0.74 CNC(=O)NCCCCCC Amb22347740 [2,0,0,0,0,0|2,0,0]=4 141 B10R0.74 COC(=O)C#CCCCC=O Amb25384729 [2,0,0,0,0,0|1,0,1]=4 142 B10R0.74 COC(=O)C#CCCCCO Amb24750368 [2,0,0,0,0,0|1,0,0]=3 143 B10R0.74 OCCCCCCC(=O)OC Amb13887312 [2,0,0,0,0,0|1,0,1]=4 144 B10R0.4 C#CCCCCC#CC(O)=O Amb24487919 [2,0,0,0,0,0|0,0,2]=4 145 B10R0.4 C=CCCCCC#CC(O)=O Amb25384882 [2,0,0,0,0,0|0,0,2]=4 146 B10R0.4 CCCCCC#CCC(O)=O Amb25384153 [2,0,0,0,0,0|0,0,2]=4 147 B10R0.4 CCCCCCC#CC(C)Br Amb25385952 [2,0,0,0,0,0|1,0,1]=4 148 B10R0.4 CCCCCCC#CC(C)O Amb24750379 [2,0,0,0,0,0|0,0,2]=4 149 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [2,0,0,0,0,0|0,0,2]=4 150 B10R0.4 CCCC\C=C/C#CC(C)=O Amb25271006 [2,0,0,0,0,0|0,0,2]=4 151 B10R0.4 CCOCCCC#CC(O)=O Amb25384938 [2,0,0,0,0,0|1,0,0]=3 152 B10R0.4 OC(=O)C#CCCCCCCl Amb25386237 [2,0,0,0,0,0|1,0,0]=3 153 B12R0.5 CCCCC#CCCCCCCCl Amb16232464 [1,1,0,0,0,0|1,0,1]=4 154 B12R0.4 CCCCCCCC(=O)OC(C)C Amb22732211 [1,1,0,0,0,0|0,0,1]=3 155 B12R0.4 CCCCCCOC(=O)CC(C)C Amb22168097 [1,1,0,0,0,0|2,0,0]=4 156 B12R0.49 CCCCCCOC(=O)C(C)CC Amb22363231 [1,1,0,0,0,0|2,0,0]=4 157 B12R0.114 CCCCCCC(Br)C(=O)OCC Amb21858286 [1,1,0,0,0,0|0,0,1]=3 158 B12R0.239 CCCCCC(O)CC(=O)OCC Amb19071694 [1,1,0,0,0,0|0,0,1]=3 159 B12R0.285 CCCC(S)CCOC(=O)CCC Amb22168266 [1,1,0,0,0,0|2,0,0]=4 160 B12R0.57 CCCCCCC#CC(OC)OC Amb19888151 [1,1,0,0,0,0|0,0,2]=4 161 B12R0.113 CCCCCCC(O)CC(=O)OC Amb21928832 [1,1,0,0,0,0|0,0,2]=4 162 B12R0.184 COC(=O)CCCCCCC(C)C Amb21928858 [1,1,0,0,0,0|0,0,2]=4 163 B12R0.251 CCCCCCCNC(=O)C(Cl)C Amb17326983 [1,1,0,0,0,0|1,0,1]=4 164 B12R0.251 CCCCCCCOC(=O)C(C)C Amb22363220 [1,1,0,0,0,0|1,0,1]=4 165 B12R0.251 CCCCCCCOC(=O)C(C)O Amb22358973 [1,1,0,0,0,0|1,0,1]=4 166 B14R0.83 CCOC(=O)C(=O)CCCCCCCC Amb22755738 [0,2,0,0,0,0|0,0,2]=4 167 B14R0.391 CCCCCCCCCC(=O)OC(C)C Amb22730709 [0,2,0,0,0,0|0,0,2]=4 168 B14R0.393 C=CCCCCCCCCC(=O)OCC Amb16193236 [0,2,0,0,0,0|0,0,2]=4 169 B14R0.393 CCCCCCCNCCC(=O)OCC Amb20171955 [0,2,0,0,0,0|0,0,2]=4 170 B14R0.393 CCOC(=O)C#CCCCCCCCC Amb22729218 [0,2,0,0,0,0|0,0,0]=2 171 B14R0.393 CCOC(=O)CCCCCCCCCBr Amb21945748 [0,2,0,0,0,0|0,0,2]=4 172 B14R0.493 CCCCCCCCCC(=O)OCCC Amb22043408 [0,2,0,0,0,0|0,0,2]=4 173 B14R0.2225 C\C(\CCCCCC)=C(\C)/C(=O)OCC Amb22347681 [0,2,0,0,0,0|0,0,2]=4 174 B14R0.492 CCCCCCC#C\C(=C\C#C)\OCC Amb10564819 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.8 ClC\C=C\C#CC1CCCCC1 Amb25744477 [1,0,0,1,0,0|2,0,0]=4 176 B12R1.32 CCOC(=O)CC1CCCCN1 Amb10607295 [1,0,0,1,0,0|1,0,1]=4 177 B12R1.32 CCOC(=O)CC1CCCCN1 Amb24081254 [1,0,0,1,0,0|1,0,1]=4 178 B12R1.32 CCOC(=O)CC1CCCCO1 Amb1094048 [1,0,0,1,0,0|1,0,1]=4 179 B12R1.32 CCOC(=O)CC1CCSCC1 Amb22230694 [1,0,0,1,0,0|1,0,1]=4 180 B12R1.32 CCOC(=O)NC1CCCCC1 Amb17846666 [1,0,0,1,0,0|1,0,0]=3 181 B12R1.32 CCOC(=O)NC1CCCCO1 Amb24427141 [1,0,0,1,0,0|2,0,0]=4 182 B12R1.32 CCOC(=O)NC1CCNCC1 Amb10610352 [1,0,0,1,0,0|2,0,0]=4 183 B12R1.32 CCOC(=O)NN1CCCCC1 Amb2125367 [1,0,0,1,0,0|2,0,0]=4 184 B12R1.32 CCOC(=S)NC1CCCCC1 Amb25783808 [1,0,0,1,0,0|1,1,0]=4 185 B12R1.32 CCOC(C)=NC1CCCCC1 Amb25338367 [1,0,0,1,0,0|2,0,0]=4 186 B12R1.32 O=C(CC1CCCCC1)OCCl Amb22755979 [1,0,0,1,0,0|1,0,1]=4 187 B12R1.32 O=C(OCCl)OC1CCCCC1 Amb20623531 [1,0,0,1,0,0|2,0,0]=4 188 B12R1.51 CCNC(=O)NCC1CCCC1 Amb24569785 [1,0,0,1,0,0|2,0,0]=4 189 B12R1.51 CCOC(=O)C#CC1CCCC1 Amb24732157 [1,0,0,1,0,0|0,0,0]=2 190 B12R1.51 CCOC(=O)CCC1CNCC1 Amb22002528 [1,0,0,1,0,0|1,0,1]=4 191 B12R1.51 CCOC(=O)CCC1COCC1 Amb20247595 [1,0,0,1,0,0|1,0,1]=4 192 B12R1.51 CCOC(=O)CNC1CCCC1 Amb19887553 [1,0,0,1,0,0|1,0,1]=4 193 B12R1.141 CC1CC(=O)CCCCCCC1 Amb25373271 [1,0,0,1,0,0|1,0,1]=4 194 B12R1.308 CC1CCCCC1C(=N)OCC Amb24583445 [1,0,0,1,0,0|1,0,1]=4 195 B12R1.308 CC1CCCCC1C(=O)OCC Amb24488582 [1,0,0,1,0,0|0,0,1]=3 196 B12R1.308 CC1CCCCN1C(=O)OCCl Amb24672589 [1,0,0,1,0,0|2,0,0]=4 197 B12R1.308 CC1CCCNC1C(=O)OCC Amb25279911 [1,0,0,1,0,0|1,0,1]=4 198 B12R1.308 CC1CCNCC1C(=O)OCC Amb18647513 [1,0,0,1,0,0|1,0,1]=4 199 B12R1.308 CC1CNCCC1C(=O)OCC Amb19889853 [1,0,0,1,0,0|1,0,1]=4 200 B12R1.308 CC1NCCCC1C(=O)OCC Amb18647516 [1,0,0,1,0,0|1,0,1]=4 201 B12R1.308 CC1NCCCC1C(=O)OCC Amb22728543 [1,0,0,1,0,0|1,0,1]=4 202 B12R1.308 CC=1CCCCC1C(=O)OCC Amb25349423 [1,0,0,1,0,0|0,0,2]=4 203 B12R1.308 CCCC(=O)N1CCCCC1C Amb17855600 [1,0,0,1,0,0|2,0,0]=4 204 B12R1.308 CCOC(=O)C1CCCCC1Cl Amb25690304 [1,0,0,1,0,0|1,0,1]=4 205 B12R1.308 CCOC(=O)C1CCCCC1N Amb22757239 [1,0,0,1,0,0|1,0,1]=4 206 B12R1.308 CCOC(=O)N1CCCCC1C Amb24612717 [1,0,0,1,0,0|1,0,0]=3 207 B12R1.308 CCOC(=O)N1CCCCC1O Amb25158090 [1,0,0,1,0,0|2,0,0]=4 208 B12R1.308 CCOC(=O)N1CCNCC1C Amb18286823 [1,0,0,1,0,0|2,0,0]=4 209 B12R1.308 CCOC(=O)N1CCNC[C@@H]1C Amb24103467 [1,0,0,1,0,0|2,0,0]=4 210 B12R1.308 CCOC(=O)N1CCNC[C@H]1C Amb25751405 [1,0,0,1,0,0|2,0,0]=4 211 B12R1.308 CCOC(=O)N1CCSCC1C Amb24370225 [1,0,0,1,0,0|2,0,0]=4 212 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C Amb24733765 [1,0,0,1,0,0|1,0,1]=4 213 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1Cl Amb24745760 [1,0,0,1,0,0|1,0,1]=4 214 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Amb1993724 [1,0,0,1,0,0|1,0,1]=4 215 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Amb1993766 [1,0,0,1,0,0|1,0,1]=4 216 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1N Amb1994027 [1,0,0,1,0,0|1,0,1]=4 217 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1Cl Amb25176071 [1,0,0,1,0,0|1,0,1]=4 218 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1Cl Amb25302323 [1,0,0,1,0,0|1,0,1]=4 219 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1N Amb10844965 [1,0,0,1,0,0|1,0,1]=4 220 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1N Amb22224866 [1,0,0,1,0,0|1,0,1]=4 221 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1O Amb25205011 [1,0,0,1,0,0|1,0,1]=4 222 B12R1.308 C[C@@H]1CCNC[C@@H]1C(=O)OCC Amb25198719 [1,0,0,1,0,0|1,0,1]=4 223 B12R1.308 C[C@@H]1CNCC[C@@H]1C(=O)OCC Amb23439038 [1,0,0,1,0,0|1,0,1]=4 224 B12R1.308 C[C@@H]1NCCC[C@@H]1C(=O)OCC Amb23399686 [1,0,0,1,0,0|1,0,1]=4 225 B12R1.308 C[C@@H]1NCCC[C@H]1C(=O)OCC Amb22756601 [1,0,0,1,0,0|1,0,1]=4 226 B12R1.308 C[C@H]1CNCC[C@H]1C(=O)OCC Amb24542900 [1,0,0,1,0,0|1,0,1]=4 227 B12R1.308 C[C@H]1NCCC[C@@H]1C(=O)OCC Amb22736672 [1,0,0,1,0,0|1,0,1]=4 228 B12R1.308 C[C@H]1NCCC[C@H]1C(=O)OCC Amb25288471 [1,0,0,1,0,0|1,0,1]=4 229 B12R1.310 CCOC(=O)CCCNC1CC1 Amb21963937 [1,0,0,1,0,0|1,0,1]=4 230 B12R1.316 CCC1CCCN1C(=O)NCC Amb25096171 [1,0,0,1,0,0|2,0,0]=4 231 B12R1.316 CCN1CCC[C@@H]1C(=O)OCC Amb24325301 [1,0,0,1,0,0|1,0,1]=4 232 B12R1.316 CCN1CCC[C@H]1C(=O)OCC Amb22225486 [1,0,0,1,0,0|1,0,1]=4 233 B12R1.316 CCOC(=O)C1CCCN1CC Amb16186925 [1,0,0,1,0,0|1,0,1]=4 234 B12R1.316 CCOC(=O)N1CCCC1CO Amb18789977 [1,0,0,1,0,0|2,0,0]=4 235 B12R1.318 CC1CCCC1NC(=O)NCC Amb25358426 [1,0,0,1,0,0|2,0,0]=4 236 B12R1.318 CC1CSCC1NC(=O)OCC Amb25854791 [1,0,0,1,0,0|2,0,0]=4 237 B12R1.318 CC1NCCC1NC(=O)OCC Amb25793840 [1,0,0,1,0,0|2,0,0]=4 238 B12R1.318 CCOC(=O)NC1CCCC1Cl Amb25758854 [1,0,0,1,0,0|2,0,0]=4 239 B12R1.318 CCOC(=O)NC1CCCC1N Amb25189613 [1,0,0,1,0,0|2,0,0]=4 240 B12R1.318 CCOC(=O)NC1CCCC1O Amb25084612 [1,0,0,1,0,0|2,0,0]=4 241 B12R1.318 CCOC(=O)N[C@@H]1CCC[C@H]1O Amb25324575 [1,0,0,1,0,0|2,0,0]=4 242 B12R1.318 CCOC(=O)\C=C/1\CCCC1C Amb25096628 [1,0,0,1,0,0|0,0,2]=4 243 B12R1.535 CCCN1CCC1C(=O)OCC Amb23441736 [1,0,0,1,0,0|1,0,1]=4 244 B12R1.1564 CCCC(=O)C1CCCCCC1 Amb25126365 [1,0,0,1,0,0|1,0,1]=4 245 B12R1.1564 CCNC(=O)N1CCCCCC1 Amb25090627 [1,0,0,1,0,0|2,0,0]=4 246 B12R1.1564 CCOC(=O)C1CCCCCC1 Amb18801871 [1,0,0,1,0,0|0,0,1]=3 247 B12R1.1564 CCOC(=O)C1CCCCCN1 Amb20669408 [1,0,0,1,0,0|1,0,1]=4 248 B12R1.1564 CCOC(=O)C1CCCNCC1 Amb22491483 [1,0,0,1,0,0|1,0,1]=4 249 B12R1.1564 CCOC(=O)C1CCCNCC1 Amb22756039 [1,0,0,1,0,0|1,0,1]=4 250 B12R1.1564 CCOC(=O)C1CNCCCC1 Amb22886303 [1,0,0,1,0,0|1,0,1]=4 251 B12R1.1564 CCOC(=O)C1CNCCCC1 Amb25703141 [1,0,0,1,0,0|1,0,1]=4 252 B12R1.1564 CCOC(=O)N1CCCOCC1 Amb25151022 [1,0,0,1,0,0|2,0,0]=4 253 B12R1.1564 CCOC(=O)N1CCCSCC1 Amb25152317 [1,0,0,1,0,0|2,0,0]=4 254 B12R1.1564 CCOC(=O)[C@H]1CCCCCN1 Amb24685363 [1,0,0,1,0,0|1,0,1]=4 255 B12R1.1564 CCSC(=O)N1CCCCCC1 Amb22234880 [1,0,0,1,0,0|1,1,0]=4 256 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 Amb18511855 [1,0,0,1,0,0|1,0,1]=4 257 B12R1.27 CCC(O)C#CC1CCCCC1 Amb24688337 [1,0,0,1,0,0|0,0,2]=4 258 B12R1.27 COC(=O)C#CC1CCCCN1 Amb25241760 [1,0,0,1,0,0|1,0,0]=3 259 B12R1.27 COC(=O)C#CC1CCNCC1 Amb24464710 [1,0,0,1,0,0|1,0,0]=3 260 B12R1.27 COC(=O)C#CC1CCOCC1 Amb25151109 [1,0,0,1,0,0|1,0,0]=3 261 B12R1.27 COC(=O)C#CC1COCCO1 Amb25034783 [1,0,0,1,0,0|2,0,0]=4 262 B12R1.27 COC(=O)NCC1CCCCC1 Amb25790583 [1,0,0,1,0,0|1,0,1]=4 263 B12R1.27 COC(=O)\C=C\C1CCCCC1 Amb25148638 [1,0,0,1,0,0|0,0,2]=4 264 B12R1.77 CCC(=O)C1CCCCC1CC Amb24483591 [1,0,0,1,0,0|0,0,2]=4 265 B12R1.77 CCC1CCCCC1C(=O)OC Amb24663453 [1,0,0,1,0,0|0,0,2]=4 266 B12R1.77 CCC1CCCNC1C(=O)OC Amb24652659 [1,0,0,1,0,0|1,0,1]=4 267 B12R1.77 CC[C@@H]1CCCN[C@@H]1C(=O)OC Amb24601104 [1,0,0,1,0,0|1,0,1]=4 268 B12R1.77 CC[C@H]1CCCN[C@@H]1C(=O)OC Amb25301855 [1,0,0,1,0,0|1,0,1]=4 269 B12R1.82 CCC1CCCC1=CC(=O)OC Amb25060926 [1,0,0,1,0,0|0,0,2]=4 270 B12R1.353 CC1CCCC1CNC(=O)CC Amb24570565 [1,0,0,1,0,0|1,0,1]=4 271 B12R1.353 CC1OCCC1C#CC(=O)OC Amb24751380 [1,0,0,1,0,0|1,0,0]=3 272 B12R1.365 COC(=O)N1CCCCCC1C Amb25115628 [1,0,0,1,0,0|1,0,1]=4 273 B12R1.371 CC1CCCCC1NC(=O)OC Amb25289103 [1,0,0,1,0,0|1,0,1]=4 274 B12R1.371 CC1CCCCC1OC(=O)CC Amb25271761 [1,0,0,1,0,0|1,0,1]=4 275 B12R1.371 CCC(=O)CN1CCCCC1C Amb18806284 [1,0,0,1,0,0|1,0,1]=4 276 B12R1.371 COC(=O)\C=C/1\CCCCC1C Amb25808199 [1,0,0,1,0,0|0,0,2]=4 277 B12R1.477 COC(=O)C#CCC1CCCO1 Amb24744058 [1,0,0,1,0,0|1,0,0]=3 278 B12R1.477 COC(=O)NCCC1CCCC1 Amb22365035 [1,0,0,1,0,0|1,0,1]=4 279 B12R1.1659 CCC(=O)C=1CCCCCCC1 Amb25816363 [1,0,0,1,0,0|0,0,2]=4 280 B12R1.1659 CCC(=O)N1CCCCCCC1 Amb2125344 [1,0,0,1,0,0|1,0,1]=4 281 B12R1.1659 COC(=O)C1CCCCCCC1 Amb24537636 [1,0,0,1,0,0|0,0,2]=4 282 B12R1.1659 COC(=O)C1CCCCCCN1 Amb25246058 [1,0,0,1,0,0|1,0,1]=4 283 B12R1.1659 COC(=O)C=1CCCCCCC1 Amb25124946 [1,0,0,1,0,0|0,0,2]=4 284 B12R1.1659 COC(=O)N1CCCCCCC1 Amb2125356 [1,0,0,1,0,0|1,0,1]=4 285 B12R1.1748 CCC(=O)CC1CCCCCC1 Amb24493085 [1,0,0,1,0,0|0,0,2]=4 286 B12R1.1748 CCC(=O)CN1CCCCCC1 Amb18806286 [1,0,0,1,0,0|1,0,1]=4 287 B12R1.1748 CCC(=O)OC1CCCCCC1 Amb25154716 [1,0,0,1,0,0|1,0,1]=4 288 B12R1.1748 COC(=O)NC1CCCCCC1 Amb17790975 [1,0,0,1,0,0|1,0,1]=4 289 B14R1.520 CCOC(=O)CCCC1CCNCC1 Amb19944566 [0,1,0,1,0,0|0,0,2]=4 290 B14R1.520 CCOC(=O)CCCN1CCCCC1 Amb24066207 [0,1,0,1,0,0|0,0,2]=4 291 B14R1.520 CCOC(=O)CSCC1CCCCN1 Amb22395636 [0,1,0,1,0,0|1,0,1]=4 292 B14R1.520 CCOC(=O)CSCC1CCNCC1 Amb22395593 [0,1,0,1,0,0|1,0,1]=4 293 B14R1.520 CCOC(=O)CSCC1CNCCC1 Amb22395615 [0,1,0,1,0,0|1,0,1]=4 294 B14R1.597 CCOC(=O)\C=C/1\CCCCCC1O Amb25813832 [0,1,0,1,0,0|0,0,2]=4 295 B14R1.598 CCOC(=O)C#C[C@H]1CCCC[C@@H]1O Amb24519685 [0,1,0,1,0,0|0,0,0]=2 296 B14R1.622 CCOC(=O)C=1CCCCCCC1N Amb25780686 [0,1,0,1,0,0|0,0,2]=4 297 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [0,1,0,1,0,0|0,0,2]=4 298 B14R1.7119 CCOC(=O)N1CCCCCCCC1 Amb24432320 [0,1,0,1,0,0|0,0,2]=4 299 B14R1.7146 CCOC(=O)CNC1CCCOCC1 Amb24271491 [0,1,0,1,0,0|1,0,1]=4 300 B14R1.7343 CCOC(=O)C=C1CCCCCCC1 Amb22230459 [0,1,0,1,0,0|0,0,2]=4 301 B14R1.7343 CCOC(=O)\C=C/1\CCCCCCN1 Amb25364235 [0,1,0,1,0,0|0,0,2]=4 302 B14R1.156 CCONC(=O)CCC1CCCCC1 Amb10705050 [0,1,0,1,0,0|0,0,2]=4 303 B14R1.502 CCOC(=O)CSC1CCC(N)CC1 Amb22395680 [0,1,0,1,0,0|1,0,1]=4 304 B14R1.7342 CCOC(=O)NC1CCC(Cl)CCC1 Amb24360388 [0,1,0,1,0,0|1,0,1]=4 305 B14R1.7342 CCOC(=O)N[C@H]1CC[C@@H](O)CCC1 Amb24585766 [0,1,0,1,0,0|1,0,1]=4 306 B14R1.14542 CC1CCCCCC(O)C=CC(=O)O1 Amb25343672 [0,1,0,1,0,0|0,0,2]=4 307 B14R1.966 CCOC(=O)NC1CCCCC1(C)C Amb25730620 [0,1,0,1,0,0|1,0,1]=4 308 B14R1.966 CCOC(=O)NC1CCCCC1(C)Cl Amb25727746 [0,1,0,1,0,0|1,0,1]=4 309 B14R1.950 CCOC(=O)NC1CC(C)CCC1C Amb25378977 [0,1,0,1,0,0|1,0,1]=4 310 B14R1.950 CCOC(=O)NC1C[C@@H](C)CC[C@H]1C Amb25257175 [0,1,0,1,0,0|1,0,1]=4 311 B14R1.100 CC(OCC(=O)OCC)C1CCCC1 Amb24103446 [0,1,0,1,0,0|1,0,1]=4 312 B14R1.60 CC(NC1CCCCC1)C(=O)OCC Amb19056743 [0,1,0,1,0,0|1,0,1]=4 313 B14R1.7309 CCOC(=O)C1(N)CCCCCCC1 Amb18968197 [0,1,0,1,0,0|0,0,2]=4 314 B14R1.7309 CCOC(=O)C1(O)CCCCCCC1 Amb19090295 [0,1,0,1,0,0|0,0,2]=4 315 B14R1.10397 CC(C(=O)OCC)=C1CCCCCC1 Amb25166576 [0,1,0,1,0,0|0,0,2]=4 316 B14R1.621 CCOC(=O)CC(=O)CC1CCCC1 Amb20673094 [0,1,0,1,0,0|0,0,2]=4 317 B14R1.327 CC(C)OC(=O)N1CCCCCC1C Amb25318244 [0,1,0,1,0,0|1,0,1]=4 318 B14R1.818 CC(O)\C=C(\C)/C#CC1CCCCC1 Amb25813798 [0,1,0,1,0,0|2,0,0]=4 319 B14R1.13044 CC(C)OC(=O)C1CCCCCCN1 Amb25713963 [0,1,0,1,0,0|1,0,1]=4 320 B14R1.13081 CC(OC(=O)CN1CCCCCC1)C Amb17604759 [0,1,0,1,0,0|1,0,1]=4 321 B14R1.6823 CCOC(=O)NC1CCC(C)CC1C Amb24607922 [0,1,0,1,0,0|1,0,1]=4 322 B14R2.9917 CCOC(=O)NC1C2CCC1CC2 Amb25840703 [0,0,0,2,0,0|1,0,1]=4 323 B14R2.9964 CCOC(=O)C1CC2CCC1CC2 Amb2237064 [0,0,0,2,0,0|0,0,2]=4 324 B14R2.9964 CCOC(=O)[C@@H]1NC2CCC1CC2 Amb24406700 [0,0,0,2,0,0|1,0,1]=4 325 B14R2.9964 CCOC(=O)[C@@H]1N[C@@H]2CC[C@H]1CC2 Amb19514399 [0,0,0,2,0,0|1,0,1]=4 326 B14R2.9964 CCOC(=O)[C@H]1N[C@@H]2CC[C@H]1CC2 Amb2372642 [0,0,0,2,0,0|1,0,1]=4 327 B14R2.9964 CCOC(=O)[C@H]1N[C@H]2CC[C@@H]1CC2 Amb17913045 [0,0,0,2,0,0|1,0,1]=4 328 B14R2.33783 CCOC(=O)NC1C2CCCCC21 Amb24386645 [0,0,0,2,0,0|1,0,1]=4 329 B14R2.33858 CCOC(=O)N1CC2CCCCC12 Amb24414594 [0,0,0,2,0,0|1,0,1]=4 330 B14R2.33858 CCOC(=O)N1C[C@H]2CCCC[C@@H]12 Amb25355837 [0,0,0,2,0,0|1,0,1]=4 331 B14R2.9904 CCOC(=O)C1OCC2CCCC21 Amb25256508 [0,0,0,2,0,0|1,0,1]=4 332 B14R2.9904 CCOC(=O)[C@@H]1NC[C@H]2CCC[C@H]21 Amb22745892 [0,0,0,2,0,0|1,0,1]=4 333 B14R2.9904 CCOC(=O)[C@@H]1NC[C@H]2CCC[C@H]21 Amb22747179 [0,0,0,2,0,0|1,0,1]=4 334 B14R2.9910 CCOC(=O)N1C2CCCC1CC2 Amb25806336 [0,0,0,2,0,0|1,0,1]=4 335 B14R2.10010 CCOC(=O)\C=C/1\CC2CCCC12 Amb24496497 [0,0,0,2,0,0|0,0,2]=4 336 B14R2.10010 CCOC(=O)\C=C\1/CC2CCCC12 Amb23512876 [0,0,0,2,0,0|0,0,2]=4 337 B14R2.34036 CCOC(=O)NC1CCCC2CC21 Amb24378178 [0,0,0,2,0,0|1,0,1]=4 338 B14R2.34036 CCOC(=O)NC1CCC[C@H]2C[C@H]21 Amb25187090 [0,0,0,2,0,0|1,0,1]=4 339 B14R2.34036 CCOC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 Amb25257087 [0,0,0,2,0,0|1,0,1]=4 340 B14R2.34036 CCOC(=O)N[C@H]1CCC[C@H]2C[C@H]21 Amb24539340 [0,0,0,2,0,0|1,0,1]=4 341 B14R2.2711 CCOC(=O)CN1CC2CC1CC2 Amb18322557 [0,0,0,2,0,0|1,0,1]=4 342 B14R2.2711 CCOC(=O)NC1CC2CC1CC2 Amb24720856 [0,0,0,2,0,0|1,0,1]=4 343 B14R2.2711 CCOC(=O)NC1C[C@H]2C[C@@H]1CC2 Amb24514788 [0,0,0,2,0,0|1,0,1]=4 344 B14R2.2711 CCOC(=O)N[C@@H]1C[C@@H]2C[C@@H]1CC2 Amb24582061 [0,0,0,2,0,0|1,0,1]=4 345 B14R2.839 CCOC(=O)N1CC2CCCC2C1 Amb25828479 [0,0,0,2,0,0|1,0,1]=4 346 B14R2.839 CCOC(=O)[C@@H]1CC2CCCC2N1 Amb24365208 [0,0,0,2,0,0|1,0,1]=4 347 B14R2.10009 CCOC(=O)NC12CC1CCCC2 Amb25733140 [0,0,0,2,0,0|1,0,1]=4 348 B14R2.5202 O=C1OCCC1N2CCCCCC2 Amb25252037 [0,0,0,2,0,0|1,0,1]=4