0 B13R0.147 C=CCCCCCCCCC(=O)NN Amb6393023 [0,0,0,0,0,0|2,0,0]=2 1 B13R0.147 C=CCCCCCCCCC(=O)OC Amb612439 [0,0,0,0,0,0|0,0,0]=0 2 B13R0.147 CC#CCCCCCCCC(=O)OC Amb22641576 [0,0,0,0,0,0|0,0,3]=3 3 B13R0.147 CCCCCCCCCCC(=O)NN Amb534278 [0,0,0,0,0,0|2,0,2]=4 4 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,0,0,0,0,0|0,0,2]=2 5 B13R0.147 CCCCCCCNCCC(=O)NC Amb18333360 [0,0,0,0,0,0|2,0,2]=4 6 B13R0.147 COC(=O)CCCCCCCCC=O Amb9787740 [0,0,0,0,0,0|1,0,0]=1 7 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [0,0,0,0,0,0|1,0,1]=2 8 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [0,0,0,0,0,0|1,0,1]=2 9 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [0,0,0,0,0,0|1,0,1]=2 10 B13R0.147 COC(=O)CCCSCCOCCN Amb17502012 [0,0,0,0,0,0|3,0,1]=4 11 B13R0.147 C\C=C\CCCCCCCC(=O)OC Amb22641574 [0,0,0,0,0,0|0,0,2]=2 12 B12R0.5 C=CCCCCCCCCCCC Amb2721661 [1,0,0,0,0,0|1,0,1]=3 13 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [1,0,0,0,0,0|2,0,1]=4 14 B12R0.5 C=CCNCCCCCCCCC Amb7761762 [1,0,0,0,0,0|2,0,1]=4 15 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [1,0,0,0,0,0|2,0,1]=4 16 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [1,0,0,0,0,0|0,0,2]=3 17 B12R0.234 C=CCCCCCCCCC(=O)Cl Amb2721637 [1,0,0,0,0,0|1,0,0]=2 18 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [1,0,0,0,0,0|0,0,0]=1 19 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [1,0,0,0,0,0|0,0,3]=4 20 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [1,0,0,0,0,0|2,0,1]=4 21 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [1,0,0,0,0,0|1,0,2]=4 22 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [1,0,0,0,0,0|0,0,2]=3 23 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [1,0,0,0,0,0|0,0,2]=3 24 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [1,0,0,0,0,0|1,0,2]=4 25 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [1,0,0,0,0,0|1,0,2]=4 26 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [1,0,0,0,0,0|1,0,1]=3 27 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [1,0,0,0,0,0|1,0,1]=3 28 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [1,0,0,0,0,0|1,0,1]=3 29 B12R0.234 O=C(O)CCCCCCCC#CBr Amb32422815 [1,0,0,0,0,0|1,0,2]=4 30 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [1,0,0,0,0,0|1,0,1]=3 31 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [1,0,0,0,0,0|1,0,1]=3 32 B12R0.234 O=C(O)CCCCCCCN=C=S Amb33471542 [1,0,0,0,0,0|2,0,1]=4 33 B12R0.234 O=C=NCCCCCCCC(=O)O Amb32665820 [1,0,0,0,0,0|2,0,1]=4 34 B12R0.234 [N-]=[N+]=NCCCCCCCC(=O)O Amb34932690 [1,0,0,0,0,0|3,0,0]=4 35 B12R0.248 C=CCCCCCCCC(=O)OC Amb533244 [1,0,0,0,0,0|0,0,0]=1 36 B12R0.248 CCCCCCCCCC(=O)NN Amb6530432 [1,0,0,0,0,0|2,0,1]=4 37 B12R0.248 CCCCCCCCCC(=O)NO Amb33548521 [1,0,0,0,0,0|2,0,1]=4 38 B12R0.248 CCCCCCCCCC(=O)OC Amb4378003 [1,0,0,0,0,0|0,0,1]=2 39 B12R0.248 CCCCC\C=C/CCC(=O)OC Amb24093816 [1,0,0,0,0,0|0,0,3]=4 40 B12R0.248 CCNCCOCCCC(=O)OC Amb18107249 [1,0,0,0,0,0|2,0,1]=4 41 B12R0.248 COC(=O)CCCCCCCC=O Amb8391799 [1,0,0,0,0,0|1,0,0]=2 42 B12R0.248 COC(=O)CCCCCCCCBr Amb34913614 [1,0,0,0,0,0|1,0,0]=2 43 B12R0.248 COC(=O)CCCCCCCCO Amb17616943 [1,0,0,0,0,0|1,0,0]=2 44 B12R0.248 COC(=O)CCCCCCN=[N+]=[N-] Amb33711870 [1,0,0,0,0,0|3,0,0]=4 45 B12R0.248 COC(=O)CCCSCCCCN Amb17500973 [1,0,0,0,0,0|2,0,0]=3 46 B12R0.248 COCCCCCNCC(=O)OC Amb33133279 [1,0,0,0,0,0|2,0,1]=4 47 B14R0.197 COC(=O)CCCCCCCC(=O)OC Amb9787239 [0,1,0,0,0,0|1,0,2]=4 48 B14R0.305 COC(=O)CCCCCCCCC(=O)O Amb6366515 [0,1,0,0,0,0|1,0,0]=2 49 B14R0.337 CCCCCCCCCCCC(=O)OC Amb4378331 [0,1,0,0,0,0|0,0,2]=3 50 B14R0.337 CCCCCCCCCCOC(=O)CC Amb9786156 [0,1,0,0,0,0|1,0,2]=4 51 B14R0.337 COC(=O)CCCCCCCCCCBr Amb3354793 [0,1,0,0,0,0|0,0,2]=3 52 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [0,1,0,0,0,0|0,0,2]=3 53 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [0,1,0,0,0,0|0,0,2]=3 54 B14R0.393 CCCCCCCCCCC(=O)CCC Amb9031611 [0,1,0,0,0,0|1,0,2]=4 55 B14R0.393 CCCCCCCCCCC(=O)OCC Amb8513621 [0,1,0,0,0,0|0,0,2]=3 56 B14R0.393 CCCCCCCNCCC(=O)OCC Amb20171955 [0,1,0,0,0,0|1,0,2]=4 57 B14R0.393 CCOC(=O)CCCCCCCCCBr Amb21945748 [0,1,0,0,0,0|1,0,1]=3 58 B14R0.393 CCOC(=O)CCCCCCCCCN Amb33804740 [0,1,0,0,0,0|1,0,1]=3 59 B14R0.393 CCOC(=O)CCCCCCCN=C=O Amb32665818 [0,1,0,0,0,0|2,0,1]=4 60 B14R0.393 CCOC(=O)CCCCCCCN=C=S Amb33471719 [0,1,0,0,0,0|2,0,1]=4 61 B14R1.14 CCCCCCCC1CCC(=O)CC1 Amb30634329 [0,0,0,1,0,0|1,0,2]=4 62 B14R1.247 CC1CCCCCCCCCCC1=O Amb540121 [0,0,0,1,0,0|1,0,2]=4 63 B14R1.270 COC(=O)C1CCCCCC1NC#N Amb27635799 [0,0,0,1,0,0|2,0,1]=4 64 B14R1.483 C#CC(=O)NC1CCCCC1CC=C Amb30016953 [0,0,0,1,0,0|2,0,1]=4 65 B14R1.483 C=CCC1CCCCC1NC(=N)NC Amb30017059 [0,0,0,1,0,0|3,0,0]=4 66 B14R1.483 C=CCC1CCCCC1NC(=O)NC Amb30036921 [0,0,0,1,0,0|2,0,0]=3 67 B14R1.483 CCOC1CCCCC1CC(=O)OC Amb32584291 [0,0,0,1,0,0|1,0,2]=4 68 B14R1.709 COC(=O)CCC1CCCCCC1=O Amb17595252 [0,0,0,1,0,0|1,0,0]=2 69 B14R1.716 COC(=O)CCSCC1CCCCN1 Amb22395632 [0,0,0,1,0,0|2,0,1]=4 70 B14R1.716 COC(=O)CCSCC1CCCCN1 Amb35745536 [0,0,0,1,0,0|2,0,1]=4 71 B14R1.716 COC(=O)CCSCC1CCCNC1 Amb22395611 [0,0,0,1,0,0|2,0,1]=4 72 B14R1.716 COC(=O)CSCCC1CCCCN1 Amb22395652 [0,0,0,1,0,0|2,0,1]=4 73 B14R1.716 COC(=O)CSCCC1CCCCN1 Amb35745537 [0,0,0,1,0,0|2,0,1]=4 74 B14R1.837 COC(=O)CCOC1CCCCC1C Amb9206374 [0,0,0,1,0,0|1,0,2]=4 75 B14R1.855 CCC1CCCCCCC1C(=O)NC Amb27621102 [0,0,0,1,0,0|1,0,2]=4 76 B14R1.855 CNC1CCCCCCC1C(=O)OC Amb27833258 [0,0,0,1,0,0|1,0,1]=3 77 B14R1.863 CCC1CCCCC1OCC(=O)OC Amb9206373 [0,0,0,1,0,0|1,0,2]=4 78 B14R1.863 CCC1CCCCN1CCC(=O)OC Amb8872865 [0,0,0,1,0,0|1,0,2]=4 79 B14R1.1224 COC(=O)CN1CCCCCCCC1 Amb27249749 [0,0,0,1,0,0|1,0,2]=4 80 B14R1.1586 COC(=O)CCCN1CCCCCC1 Amb8455440 [0,0,0,1,0,0|1,0,2]=4 81 B14R1.2877 CCC(=O)CN1CCCCCCC1=O Amb19082632 [0,0,0,1,0,0|3,0,0]=4 82 B14R1.2877 COC(=O)CC1CCCCCCC1N Amb32863500 [0,0,0,1,0,0|1,0,1]=3 83 B14R1.2877 COC(=O)C[C@@H]1CCCCCC[C@@H]1N Amb33192978 [0,0,0,1,0,0|1,0,1]=3 84 B14R1.4408 O=C1CCCCCCCCC=CCN1 Amb27859494 [0,0,0,1,0,0|1,0,0]=2 85 B14R1.4408 O=C1CCCCCCCCCCCN1 Amb9825846 [0,0,0,1,0,0|1,0,2]=4 86 B14R1.4408 O=C1CCCCCCCCCCCO1 Amb9825923 [0,0,0,1,0,0|0,0,2]=3 87 B14R1.4408 O=C1CCCCCCCCNCCO1 Amb28187014 [0,0,0,1,0,0|1,0,1]=3 88 B14R1.4408 O=C1CCCCCCCNCCCO1 Amb27746900 [0,0,0,1,0,0|1,0,2]=4 89 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [0,0,0,1,0,0|1,0,2]=4 90 B14R1.4889 O=C1CCCCCCCCC(O)CC1 Amb27824496 [0,0,0,1,0,0|2,0,1]=4 91 B14R1.4889 O=C1COC(=O)CCCCCCCN1 Amb27957855 [0,0,0,1,0,0|2,0,0]=3 92 B14R1.7684 COC(=O)CCN1CCCCCCC1 Amb7755663 [0,0,0,1,0,0|1,0,2]=4 93 B11R0.3 C=CCCCCCCCCC=O Amb8513533 [2,0,0,0,0,0|0,0,0]=2 94 B11R0.3 C=CCCCCCCCCCBr Amb2691196 [2,0,0,0,0,0|1,0,1]=4 95 B11R0.3 C=CCCCCCCCCCC Amb3940486 [2,0,0,0,0,0|0,0,1]=3 96 B11R0.3 C=CCCCCCCCCCCl Amb2721562 [2,0,0,0,0,0|1,0,1]=4 97 B11R0.3 C=CCCCCCCCCCN Amb2721533 [2,0,0,0,0,0|1,0,1]=4 98 B11R0.3 C=CCCCCCCCCCO Amb2721673 [2,0,0,0,0,0|0,0,1]=3 99 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [2,0,0,0,0,0|2,0,0]=4 100 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [2,0,0,0,0,0|1,0,1]=4 101 B11R0.148 C#CCCCCCCCC(=O)O Amb22388895 [2,0,0,0,0,0|0,0,2]=4 102 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [2,0,0,0,0,0|1,0,1]=4 103 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [2,0,0,0,0,0|0,0,0]=2 104 B11R0.148 C=CCCOCCCCC(=O)O Amb33531508 [2,0,0,0,0,0|1,0,0]=3 105 B11R0.148 CC(=O)OCCCCCCC=O Amb22364796 [2,0,0,0,0,0|2,0,0]=4 106 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [2,0,0,0,0,0|1,0,1]=4 107 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [2,0,0,0,0,0|0,0,1]=3 108 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [2,0,0,0,0,0|0,0,1]=3 109 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [2,0,0,0,0,0|1,0,1]=4 110 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [2,0,0,0,0,0|1,0,1]=4 111 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [2,0,0,0,0,0|1,0,1]=4 112 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [2,0,0,0,0,0|1,0,1]=4 113 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [2,0,0,0,0,0|1,0,1]=4 114 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [2,0,0,0,0,0|1,0,1]=4 115 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [2,0,0,0,0,0|1,0,1]=4 116 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [2,0,0,0,0,0|2,0,0]=4 117 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [2,0,0,0,0,0|1,0,0]=3 118 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [2,0,0,0,0,0|1,0,0]=3 119 B11R0.40 C=CCCOCCNC(=O)OC Amb24095907 [2,0,0,0,0,0|2,0,0]=4 120 B11R0.40 CCCCCCC#CC(=O)OC Amb2725482 [2,0,0,0,0,0|0,0,2]=4 121 B11R0.40 CCCCCCCCC(=O)CC Amb9024774 [2,0,0,0,0,0|1,0,0]=3 122 B11R0.40 CCCCCCCCC(=O)NN Amb6544507 [2,0,0,0,0,0|2,0,0]=4 123 B11R0.40 CCCCCCCCC(=O)OC Amb8517582 [2,0,0,0,0,0|0,0,0]=2 124 B11R0.40 CCCCCCCOC(=O)CC Amb9787227 [2,0,0,0,0,0|2,0,0]=4 125 B11R0.40 CCCCCC\C=C\C(=O)OC Amb33513079 [2,0,0,0,0,0|0,0,2]=4 126 B11R0.40 CCCSSCCCC(=O)OC Amb33040840 [2,0,0,0,0,0|2,0,0]=4 127 B11R0.40 CNCCOCCCC(=O)OC Amb18624289 [2,0,0,0,0,0|2,0,0]=4 128 B11R0.40 COC(=O)CCCCCCCBr Amb24063235 [2,0,0,0,0,0|1,0,0]=3 129 B11R0.40 COC(=O)CCCCCCCN Amb20669115 [2,0,0,0,0,0|1,0,0]=3 130 B11R0.40 COC(=O)CCCCCCCN Amb24331924 [2,0,0,0,0,0|1,0,0]=3 131 B11R0.40 COC(=O)CCCOCCCN Amb18111569 [2,0,0,0,0,0|2,0,0]=4 132 B11R0.40 COC(=O)CCCSCCCN Amb17500720 [2,0,0,0,0,0|2,0,0]=4 133 B11R0.40 COC(=O)CCCSCCCO Amb17502861 [2,0,0,0,0,0|2,0,0]=4 134 B11R0.40 COC(=O)NCCCCCCO Amb24095886 [2,0,0,0,0,0|2,0,0]=4 135 B13R0.54 C=CCCCCCCCCOC(C)=O Amb10563791 [1,1,0,0,0,0|2,0,0]=4 136 B13R0.336 C=CCSCCCCCCCCCC Amb9787753 [1,1,0,0,0,0|1,0,1]=4 137 B13R0.150 CCCCCCCCCC(C)C(=O)O Amb18320092 [1,1,0,0,0,0|0,0,2]=4 138 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O Amb34139108 [1,1,0,0,0,0|0,0,2]=4 139 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O Amb34152043 [1,1,0,0,0,0|0,0,2]=4 140 B13R0.179 CC(Br)CCCCCCCCC(=O)O Amb8487858 [1,1,0,0,0,0|0,0,2]=4 141 B13R0.179 NC(=O)CCCCCCCCC(N)=O Amb6366826 [1,1,0,0,0,0|2,0,0]=4 142 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl Amb6608951 [1,1,0,0,0,0|2,0,0]=4 143 B13R0.179 O=C(O)CCCCCCCCC(=O)O Amb4037061 [1,1,0,0,0,0|1,0,0]=3 144 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] Amb22168122 [1,1,0,0,0,0|1,0,1]=4 145 B13R0.202 O=C(O)CCCCCCCC(F)CBr Amb22547613 [1,1,0,0,0,0|1,0,1]=4 146 B13R0.335 CCCCCCCCC(C)CC(=O)O Amb28653289 [1,1,0,0,0,0|0,0,2]=4 147 B13R0.274 CCCCCCCC(=O)CC(=O)OC Amb17617713 [1,1,0,0,0,0|0,0,2]=4 148 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC Amb17615271 [1,1,0,0,0,0|0,0,1]=3 149 B13R0.274 CCCCCCNC(C)CC(=O)OC Amb20673380 [1,1,0,0,0,0|1,0,1]=4 150 B13R0.340 CCCCCCNCC(C)C(=O)OC Amb20673379 [1,1,0,0,0,0|1,0,1]=4 151 B15R0.3221 CCCCCCCCCC(O)CC(=O)OC Amb21928822 [0,2,0,0,0,0|0,0,2]=4 152 B15R0.3221 CCCCCCCCC[C@@H](O)CC(=O)OC Amb31308367 [0,2,0,0,0,0|0,0,2]=4 153 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC Amb20673405 [0,2,0,0,0,0|0,0,2]=4 154 B15R0.324 CCCCCCCCCCC(Br)C(=O)OC Amb17673704 [0,2,0,0,0,0|0,0,2]=4 155 B15R0.324 CCCCCCCCNCC(C)C(=O)OC Amb20673404 [0,2,0,0,0,0|0,0,2]=4 156 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O Amb3354796 [0,2,0,0,0,0|1,0,0]=3 157 B15R0.172 COC(=O)CCCCCCCCC(=O)OC Amb534293 [0,2,0,0,0,0|0,0,1]=3 158 B15R0.172 COC(=O)CCCCCCCCC(F)CBr Amb22547620 [0,2,0,0,0,0|0,0,2]=4 159 B15R0.172 COC(=O)CCCCCCCCC(F)CO Amb22547616 [0,2,0,0,0,0|0,0,2]=4 160 B15R0.172 COC(=O)CCCCCCCCC(O)CF Amb22547611 [0,2,0,0,0,0|0,0,2]=4 161 B15R0.81 CCCCCCCCCCCCC(=O)OC Amb21928887 [0,2,0,0,0,0|0,0,2]=4 162 B15R0.81 COC(=O)CCCCCCCCCCCBr Amb4466753 [0,2,0,0,0,0|0,0,2]=4 163 B15R0.81 COC(=O)CCCCCCCCCCCN Amb17608040 [0,2,0,0,0,0|0,0,2]=4 164 B15R0.81 COC(=O)CCCCCCCCCCCN Amb21856053 [0,2,0,0,0,0|0,0,2]=4 165 B15R0.366 CCCCCCCCCCCC(=O)OCC Amb6366580 [0,2,0,0,0,0|0,0,2]=4 166 B15R0.366 CCCCCCCCCCCC(=O)OCCl Amb32413654 [0,2,0,0,0,0|0,0,2]=4 167 B15R0.366 CCCCCCCCNCCC(=O)OCC Amb20673293 [0,2,0,0,0,0|0,0,2]=4 168 B15R0.366 CCOC(=O)CCCCCCCCCCN Amb33804736 [0,2,0,0,0,0|0,0,2]=4 169 B15R0.167 C=CCCCCCCCCC(=O)C(F)(F)F Amb24053009 [0,2,0,0,0,0|2,0,0]=4 170 B15R0.2002 C=CCCCCCCCCC(=O)NCCO Amb33986313 [0,2,0,0,0,0|1,0,0]=3 171 B13R1.623 COC1=NCCCCCCCCC1 Amb33621275 [1,0,0,1,0,0|1,0,1]=4 172 B13R1.1150 C\C=C\CNC1C=CCCCCC1 Amb27660139 [1,0,0,1,0,0|2,0,0]=4 173 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [1,0,0,1,0,0|0,0,2]=4 174 B13R1.6 N#CCCCCC1CCCC(=O)C1 Amb6302009 [1,0,0,1,0,0|1,0,1]=4 175 B13R1.90 C\C=C1\CCCCC1CCC(=O)O Amb27649352 [1,0,0,1,0,0|0,0,2]=4 176 B13R1.158 CC(=O)NCCC1CCCCC1=O Amb28287293 [1,0,0,1,0,0|2,0,0]=4 177 B13R1.158 CN1CCCCC1CCCC(=O)O Amb33322459 [1,0,0,1,0,0|1,0,1]=4 178 B13R1.158 O=C(O)CCCC1CCCCC1=O Amb17594755 [1,0,0,1,0,0|1,0,0]=3 179 B13R1.158 O=C(O)CCCN1CCCCC1=O Amb6751285 [1,0,0,1,0,0|2,0,0]=4 180 B13R1.167 CN1CCCC1CCCCC(=O)O Amb33320357 [1,0,0,1,0,0|1,0,1]=4 181 B13R1.224 C=CCC1CCCCCC1C(=O)O Amb28423343 [1,0,0,1,0,0|0,0,0]=2 182 B13R1.280 CC(=O)CCN1CCCCCC1=O Amb27608223 [1,0,0,1,0,0|2,0,0]=4 183 B13R1.280 CC(=O)CSC1CCCCCC1=O Amb28283835 [1,0,0,1,0,0|2,0,0]=4 184 B13R1.280 CN1CCCCCC1CCC(=O)O Amb18191306 [1,0,0,1,0,0|1,0,1]=4 185 B13R1.280 O=C(O)CCC1CCCCCC1=O Amb18822898 [1,0,0,1,0,0|1,0,0]=3 186 B13R1.280 O=C(O)CCN1CCCCCC1=O Amb1125181 [1,0,0,1,0,0|2,0,0]=4 187 B13R1.280 O=C(O)CC[C@H]1CCCCCC1=O Amb28366204 [1,0,0,1,0,0|1,0,0]=3 188 B13R1.283 C=C1CCCCCCC1CN(C)C Amb6360183 [1,0,0,1,0,0|2,0,0]=4 189 B13R1.283 NC1CCCCCCC1CC(=O)O Amb32863475 [1,0,0,1,0,0|1,0,1]=4 190 B13R1.283 O=C(O)CN1CCCCCCC1=O Amb6251748 [1,0,0,1,0,0|2,0,0]=4 191 B13R1.337 O=C(O)CCCCC1CCCCC1 Amb22336378 [1,0,0,1,0,0|0,0,2]=4 192 B13R1.337 O=C(O)CCCCC1CCCCN1 Amb32430376 [1,0,0,1,0,0|1,0,1]=4 193 B13R1.337 O=C(O)CCCCC1CCCOC1 Amb33229244 [1,0,0,1,0,0|1,0,1]=4 194 B13R1.343 O=C(O)CCCCCC1CCCC1 Amb33172440 [1,0,0,1,0,0|0,0,2]=4 195 B13R1.380 C=CCC1CCCCC1NC(C)=O Amb27782431 [1,0,0,1,0,0|1,0,0]=3 196 B13R1.380 C=CCC1CCCCC1NC(N)=O Amb30036920 [1,0,0,1,0,0|2,0,0]=4 197 B13R1.380 CC(=O)C[C@@H]1CCCC[C@H]1CC#N Amb28194621 [1,0,0,1,0,0|1,0,1]=4 198 B13R1.380 CC(=O)NC1CCCCC1CC=O Amb28197195 [1,0,0,1,0,0|2,0,0]=4 199 B13R1.572 C#CCCC1CCCCC1C(=O)O Amb27589249 [1,0,0,1,0,0|0,0,2]=4 200 B13R1.610 CCC1CCCCCC1CC(=O)O Amb35721706 [1,0,0,1,0,0|0,0,2]=4 201 B13R1.610 COC1CCCCCC1CC(=O)O Amb18822015 [1,0,0,1,0,0|1,0,1]=4 202 B13R1.610 N#CC1CCCCCC1CC(=O)O Amb29854449 [1,0,0,1,0,0|1,0,1]=4 203 B13R1.614 C=CC1CCCCCCC1C(=O)O Amb27872195 [1,0,0,1,0,0|0,0,0]=2 204 B13R1.668 C=CCCCC1CCCCC1(C)O Amb32944866 [1,0,0,1,0,0|0,0,2]=4 205 B13R1.668 C=CCCC[C@@H]1CCCC[C@@]1(C)O Amb33213934 [1,0,0,1,0,0|0,0,2]=4 206 B13R1.1009 O=C(O)C1CCCCCCCCN1 Amb27392275 [1,0,0,1,0,0|1,0,1]=4 207 B13R1.1022 NC(=O)CNC1C=CCCCCC1 Amb27875022 [1,0,0,1,0,0|2,0,0]=4 208 B13R1.1022 O=C(O)CCC1CCCCCCC1 Amb27605503 [1,0,0,1,0,0|0,0,2]=4 209 B13R1.1022 O=C(O)COC1C=CCCCCC1 Amb27268143 [1,0,0,1,0,0|1,0,0]=3 210 B13R1.1052 O=C(O)CCCCCCCC1CC1 Amb33167110 [1,0,0,1,0,0|0,0,2]=4 211 B13R1.1107 CC(=O)CC1C=CC=CCCCC1 Amb28199867 [1,0,0,1,0,0|0,0,2]=4 212 B13R1.1107 O=C(O)CC1=CCCCCCCC1 Amb28324566 [1,0,0,1,0,0|0,0,2]=4 213 B13R1.1988 O=C(O)CCCC1CCCCCC1 Amb33470260 [1,0,0,1,0,0|0,0,2]=4 214 B13R1.9 CCCCCCC1CCC(=O)CC1 Amb33718611 [1,0,0,1,0,0|1,0,1]=4 215 B13R1.382 C=CCC1CCCCN1C(=O)OC Amb30987998 [1,0,0,1,0,0|1,0,0]=3 216 B13R1.393 C=CCC1CCCC1NC(=O)NC Amb27188010 [1,0,0,1,0,0|2,0,0]=4 217 B13R1.527 COC(=O)CC1CCCCCC1=O Amb25134202 [1,0,0,1,0,0|1,0,0]=3 218 B13R1.527 COC(=O)CC1CCCCCC1N Amb32861898 [1,0,0,1,0,0|1,0,0]=3 219 B13R1.527 COC(=O)NC1CCCCCC1=O Amb27464452 [1,0,0,1,0,0|2,0,0]=4 220 B13R1.527 COC(=O)NC1CCCCCC1O Amb27810523 [1,0,0,1,0,0|2,0,0]=4 221 B13R1.528 CNC(=O)CCC1CCCCC1N Amb27859013 [1,0,0,1,0,0|2,0,0]=4 222 B13R1.528 COC(=O)CCC1CCCCC1=O Amb576431 [1,0,0,1,0,0|1,0,0]=3 223 B13R1.528 COC(=O)CCC1CCCCC1N Amb33726906 [1,0,0,1,0,0|1,0,0]=3 224 B13R1.528 COC(=O)CCC1CCNCC1C Amb33747347 [1,0,0,1,0,0|1,0,1]=4 225 B13R1.528 COC(=O)CCN1CCCCC1=O Amb7773805 [1,0,0,1,0,0|2,0,0]=4 226 B13R1.528 COC(=O)CCN1CCCCC1C Amb7755661 [1,0,0,1,0,0|1,0,1]=4 227 B13R1.528 COC(=O)COC1CCCCC1C Amb9206376 [1,0,0,1,0,0|1,0,1]=4 228 B13R1.528 COC(=O)NCC1CCCCC1C Amb28351017 [1,0,0,1,0,0|1,0,1]=4 229 B13R1.536 COC(=O)CCNCC1CCCO1 Amb9024181 [1,0,0,1,0,0|2,0,0]=4 230 B13R1.536 COC(=O)CCSCC1CCCN1 Amb22395581 [1,0,0,1,0,0|2,0,0]=4 231 B13R1.536 COC(=O)CCSCC1CCCN1 Amb35746836 [1,0,0,1,0,0|2,0,0]=4 232 B13R1.546 COC(=O)C1=C(O)CCCCCC1 Amb24665622 [1,0,0,1,0,0|1,0,1]=4 233 B13R1.546 COC(=O)C1CCCCCCC1=O Amb22270247 [1,0,0,1,0,0|1,0,0]=3 234 B13R1.546 COC(=O)C1CCCCCCC1N Amb20668749 [1,0,0,1,0,0|1,0,0]=3 235 B13R1.546 COC(=O)C1CCCCCCC1N Amb25114777 [1,0,0,1,0,0|1,0,0]=3 236 B13R1.546 COC(=O)C1CCCCCC[C@@H]1O Amb27593953 [1,0,0,1,0,0|1,0,0]=3 237 B13R1.546 COC(=O)C1CCOCCCC1=O Amb6359630 [1,0,0,1,0,0|2,0,0]=4 238 B13R1.546 COC(=O)[C@@H]1CCCCCC[C@@H]1N Amb25932755 [1,0,0,1,0,0|1,0,0]=3 239 B13R1.546 COC(=O)[C@@H]1CCCCCC[C@@H]1N Amb32651799 [1,0,0,1,0,0|1,0,0]=3 240 B13R1.599 COC(=O)CCCN1CCCC1=O Amb8961497 [1,0,0,1,0,0|2,0,0]=4 241 B13R1.611 CCC(=O)C1CCCCCC1CC Amb35725694 [1,0,0,1,0,0|1,0,1]=4 242 B13R1.611 CCN1CCCCCC1C(=O)OC Amb27823899 [1,0,0,1,0,0|1,0,1]=4 243 B13R1.611 CNC1CCCCCC1C(=O)OC Amb28282320 [1,0,0,1,0,0|1,0,1]=4 244 B13R1.611 COC(=O)N1CCCCCC1CO Amb27415029 [1,0,0,1,0,0|2,0,0]=4 245 B13R1.718 COC(=O)CCCC1CCCCN1 Amb33746927 [1,0,0,1,0,0|1,0,0]=3 246 B13R1.718 COC(=O)CCCN1CCCCC1 Amb22235542 [1,0,0,1,0,0|1,0,1]=4 247 B13R1.718 COC(=O)CCCN1CCCCC1 Amb8455430 [1,0,0,1,0,0|1,0,1]=4 248 B13R1.718 COC(=O)CCNC1CCCCC1 Amb9203454 [1,0,0,1,0,0|1,0,1]=4 249 B13R1.718 COC(=O)CCOC1CCCCC1 Amb9206350 [1,0,0,1,0,0|1,0,1]=4 250 B13R1.718 COC(=O)CSCC1CCCCN1 Amb22395629 [1,0,0,1,0,0|2,0,0]=4 251 B13R1.718 COC(=O)NCCC1CCCCN1 Amb6668912 [1,0,0,1,0,0|2,0,0]=4 252 B13R1.1689 COC(=O)C1CCCCCNCC1 Amb28141756 [1,0,0,1,0,0|1,0,1]=4 253 B13R1.1711 COC(=O)CCN1CCCCCC1 Amb843107 [1,0,0,1,0,0|1,0,1]=4 254 B13R1.1870 COC(=O)CC1CCCCCCN1 Amb33356231 [1,0,0,1,0,0|1,0,0]=3 255 B13R1.1870 COC(=O)CN1CCCCCCC1 Amb7761444 [1,0,0,1,0,0|1,0,1]=4 256 B13R1.1870 COC(=O)NC1CCCCCCC1 Amb17739564 [1,0,0,1,0,0|1,0,1]=4 257 B13R1.1870 COC(=O)OC1CCCCCCC1 Amb25782061 [1,0,0,1,0,0|1,0,1]=4 258 B15R1.11371 COC(=O)C1CCCCCCCCC1=O Amb33330808 [0,1,0,1,0,0|0,0,1]=3 259 B15R1.964 COC(=O)CCC(N)CC1CCCCC1 Amb32663737 [0,1,0,1,0,0|0,0,2]=4 260 B15R1.964 COC(=O)CCC(N)CC1CCCCC1 Amb32663738 [0,1,0,1,0,0|0,0,2]=4 261 B15R1.1115 COC(=O)CCC(N)CCC1CCCC1 Amb33481464 [0,1,0,1,0,0|0,0,2]=4 262 B15R1.3843 CCC(=O)CN1CCCCCCCC1=O Amb35704205 [0,1,0,1,0,0|2,0,0]=4 263 B15R1.3843 COC(=O)CN1CCCCCCCC1=O Amb35644116 [0,1,0,1,0,0|1,0,0]=3 264 B15R1.5815 COC(=O)CCC(N)C1CCCCN1C Amb33322486 [0,1,0,1,0,0|1,0,1]=4 265 B15R1.5820 COC(=O)CCC(N)CC1CCCN1C Amb33320371 [0,1,0,1,0,0|1,0,1]=4 266 B15R1.23624 COC(=O)CCC(N)C1CCCCCC1 Amb32882177 [0,1,0,1,0,0|0,0,2]=4 267 B15R1.962 COC(=O)CCCSCC1CCCNC1 Amb17503128 [0,1,0,1,0,0|1,0,1]=4 268 B15R1.962 COC(=O)CCNCCC1=CCCCC1 Amb20171960 [0,1,0,1,0,0|0,0,2]=4 269 B15R1.962 COC(=O)CCSCCC1CCCCN1 Amb22395656 [0,1,0,1,0,0|1,0,1]=4 270 B15R1.1091 COC(=O)CCCNC1CCCCC1C Amb8961058 [0,1,0,1,0,0|0,0,2]=4 271 B15R1.1321 COC(=O)C(O)CCCC1CCCCC1 Amb28920675 [0,1,0,1,0,0|0,0,2]=4 272 B15R1.11398 COC(=O)NC1CCCCCC1C(=O)O Amb27482532 [0,1,0,1,0,0|2,0,0]=4 273 B15R1.11441 COC(=O)CCCCN1CCC1C(N)=O Amb33251540 [0,1,0,1,0,0|2,0,0]=4 274 B15R1.11631 COC(=O)CCCCCCCCC1CO1 Amb533252 [0,1,0,1,0,0|0,0,2]=4 275 B15R1.85 CCC1CCCCC1OCCC(=O)OC Amb9206371 [0,1,0,1,0,0|0,0,2]=4 276 B15R1.832 CCCCC1CC1CCCC(=O)OCC Amb1946108 [0,1,0,1,0,0|0,0,2]=4 277 B15R1.1251 CCOC(=O)CCN1CCCCCC1=O Amb8867905 [0,1,0,1,0,0|2,0,0]=4 278 B15R1.1273 CCOC(=O)CC1CCCCCCC1N Amb32863516 [0,1,0,1,0,0|1,0,1]=4 279 B15R1.1273 CCOC(=O)C[C@@H]1CCCCCC[C@@H]1N Amb33192979 [0,1,0,1,0,0|1,0,1]=4 280 B15R2.29 O=C1CCC(OC2C=CCCC2)CC1 Amb27478860 [0,0,0,2,0,0|2,0,0]=4 281 B15R2.70 O=CC[C@@H]1CCCC[C@]12CCC(=O)C2 Amb27463382 [0,0,0,2,0,0|2,0,0]=4 282 B15R2.6887 O=C1CCN(C2C=CCCCCC2)C1 Amb28142223 [0,0,0,2,0,0|2,0,0]=4 283 B15R2.19053 COC(=O)C1CC2CCCC2CC1O Amb27389039 [0,0,0,2,0,0|1,0,1]=4 284 B15R2.19139 COC(=O)CC1CCCC2OCCC12 Amb23560392 [0,0,0,2,0,0|1,0,1]=4 285 B15R2.19393 COC(=O)[C@@H]1[C@@H](O)C[C@@H]2CCCC[C@H]21 Amb27967249 [0,0,0,2,0,0|1,0,1]=4 286 B15R2.19393 COC(=O)[C@@H]1[C@H](O)C[C@@H]2CCCC[C@H]21 Amb27794825 [0,0,0,2,0,0|1,0,1]=4 287 B15R2.78730 COC(=O)CC1C2CCCC1CNC2 Amb27954593 [0,0,0,2,0,0|1,0,1]=4 288 B15R2.79765 COC(=O)C1CCCC2CNCCC21 Amb27964104 [0,0,0,2,0,0|1,0,1]=4 289 B15R2.79765 COC(=O)C1CCCC2NCCCC21 Amb27445069 [0,0,0,2,0,0|1,0,1]=4 290 B15R2.79765 COC(=O)C1NCCC2CCCCC21 Amb33229410 [0,0,0,2,0,0|1,0,1]=4 291 B15R2.19196 CCC(=O)NCC1CC2C=CC1CC2 Amb29850086 [0,0,0,2,0,0|2,0,0]=4 292 B15R2.19196 CNC(=O)NCC1CC2C=CC1CC2 Amb35685669 [0,0,0,2,0,0|2,0,0]=4 293 B15R2.19196 COC(=O)NCC1CC2C=CC1CC2 Amb35715068 [0,0,0,2,0,0|1,0,0]=3 294 B15R2.77706 COC(=O)C12CCCCC1CCNC2 Amb28255878 [0,0,0,2,0,0|1,0,1]=4 295 B15R2.17632 C=CCCN1C2CCC1CC(=O)NC2 Amb27858926 [0,0,0,2,0,0|2,0,0]=4 296 B15R2.17632 C=CCCN1[C@H]2CC[C@@H]1CC(=O)NC2 Amb28318450 [0,0,0,2,0,0|2,0,0]=4 297 B15R2.1618 COC(=O)C1CCCC12CCCC2O Amb28398975 [0,0,0,2,0,0|1,0,1]=4 298 B15R2.1601 COC(=O)C1CCC2CCCCC2N1 Amb33495136 [0,0,0,2,0,0|1,0,1]=4 299 B15R2.1601 COC(=O)C1CNC2CCCCC2C1 Amb25857549 [0,0,0,2,0,0|1,0,1]=4 300 B15R2.1601 COC(=O)C1CNC2CCCC[C@@H]2C1 Amb27462180 [0,0,0,2,0,0|1,0,1]=4 301 B15R2.2170 COC(=O)N1CC[C@@H]2C(=O)CCC[C@@H]21 Amb28058325 [0,0,0,2,0,0|2,0,0]=4 302 B15R2.2170 COC(=O)N1CC[C@H]2C(=O)CCC[C@H]21 Amb27817678 [0,0,0,2,0,0|2,0,0]=4 303 B15R2.79453 COC(=O)C1NOC2CCCCCC21 Amb33496094 [0,0,0,2,0,0|2,0,0]=4