0 B10R0.91 C=CC#CC(O)CCCCC Amb28080011 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.91 CCCCCC(=O)C#CC=O Amb28080210 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.91 CCCCCC(O)C#CCBr Amb27673343 [0,0,0,0,0,0|1,0,3]=4 3 B10R0.91 CCCCC[C@@H](O)C#CCO Amb27989707 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.5 C=C=C[C@@H](O)CCCCC Amb27427171 [1,0,0,0,0,0|0,0,1]=2 5 B9R0.5 C=C=C[C@H](O)CCCCC Amb27839194 [1,0,0,0,0,0|0,0,1]=2 6 B9R0.5 C=CCC(Cl)CCOCC Amb27855969 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.5 C=CCC(N)CCCCF Amb28139176 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.5 C=CCC(N)CSCCC Amb27763084 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 C=CCC(O)C#CCCC Amb27662271 [1,0,0,0,0,0|0,0,3]=4 10 B9R0.5 C=CCC(O)CCCCO Amb27839188 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.5 C=CCC(O)CCCOC Amb27653229 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.5 C=CCC(O)CCOCC Amb27756800 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.5 C=CCC(O)CNCCC Amb28049702 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.5 C=CCC(O)COCOC Amb28069507 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.5 C=CC[C@@H](O)\C=C\CCC Amb27426691 [1,0,0,0,0,0|0,0,3]=4 16 B9R0.5 C=CC[C@H](O)CCCCC Amb27839428 [1,0,0,0,0,0|0,0,1]=2 17 B9R0.5 C=CC[C@H](O)CCCNC Amb27596136 [1,0,0,0,0,0|1,0,1]=3 18 B9R0.5 C=CC[C@H](O)\C=C\CCC Amb28400908 [1,0,0,0,0,0|0,0,3]=4 19 B9R0.5 C=COC(O)CCCCC Amb26392164 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.5 C=C\C=C(\C)CCCCN Amb27466086 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.5 CCCCCC(=O)\C=C\Cl Amb26411947 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.5 CCCCCC(=O)\C=C\I Amb26013833 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.5 CCCCCC(C)CC=O Amb21953169 [1,0,0,0,0,0|1,0,1]=3 24 B9R0.5 CCCCCC(C)N=C=O Amb24476932 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.5 CCCCCC(C)NC=O Amb27615073 [1,0,0,0,0,0|2,0,0]=3 26 B9R0.5 CCCCCC(O)C#CCl Amb28189369 [1,0,0,0,0,0|1,0,2]=4 27 B9R0.5 CCCCCC(O)CC#N Amb18643749 [1,0,0,0,0,0|1,0,2]=4 28 B9R0.5 CCCCCC(O)CCN Amb24730197 [1,0,0,0,0,0|1,0,2]=4 29 B9R0.5 CCCCCC(O)CCO Amb22270100 [1,0,0,0,0,0|0,0,3]=4 30 B9R0.5 CCCCCC(O)CNC Amb27973914 [1,0,0,0,0,0|1,0,2]=4 31 B9R0.5 CCCCCC(O)N=[N+]=[N-] Amb27201555 [1,0,0,0,0,0|3,0,0]=4 32 B9R0.5 CCCCCC(S)CC=O Amb27424790 [1,0,0,0,0,0|0,1,1]=3 33 B9R0.5 CCCCC[C@@H](C)N=C=O Amb10807374 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.5 CCCCC[C@@H](O)CCO Amb27946548 [1,0,0,0,0,0|0,0,3]=4 35 B9R0.5 CCCCC[C@@H](O)\C=C\I Amb25970920 [1,0,0,0,0,0|1,0,0]=2 36 B9R0.5 CCCCC[C@H](C)N=C=O Amb22053846 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.5 CCCCC[C@H](O)CCC Amb27652271 [1,0,0,0,0,0|0,0,3]=4 38 B9R0.5 CCCCC[C@H](O)\C=C\I Amb24518537 [1,0,0,0,0,0|1,0,0]=2 39 B9R0.5 CCCCC\C(C)=C\C=O Amb27841277 [1,0,0,0,0,0|1,0,1]=3 40 B9R0.5 CCCCOC(C)CC=O Amb27838097 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.5 C\C=C\C(=O)CCCCC Amb25146367 [1,0,0,0,0,0|0,0,3]=4 42 B9R0.5 C\C=C\C(O)C#CCCC Amb27256106 [1,0,0,0,0,0|0,0,3]=4 43 B9R0.5 C\C=C\C(O)CC#CCC Amb27169962 [1,0,0,0,0,0|0,0,3]=4 44 B9R0.5 C\C=C\C(O)CCCCC Amb28139884 [1,0,0,0,0,0|0,0,1]=2 45 B9R0.5 C\C=C\C(O)COCCCl Amb27254142 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.18 C=C=CCC(O)CCCC Amb27457142 [1,0,0,0,0,0|1,0,2]=4 47 B9R0.18 C=CC#CC(O)CCCC Amb28189327 [1,0,0,0,0,0|1,0,2]=4 48 B9R0.18 C=C\C=C\C(O)C\C=C\C Amb27946296 [1,0,0,0,0,0|1,0,2]=4 49 B9R0.18 C=C\C=C\[C@@H](O)C\C=C\C Amb28064338 [1,0,0,0,0,0|1,0,2]=4 50 B9R0.18 CC=C=CC(O)CCCC Amb27835036 [1,0,0,0,0,0|1,0,1]=3 51 B9R0.18 CCCCC(=O)\C=C\C=O Amb27252353 [1,0,0,0,0,0|0,0,2]=3 52 B9R0.18 CCCCC(N)CCC=O Amb33036353 [1,0,0,0,0,0|1,0,2]=4 53 B9R0.18 CCCCC(O)CCC=O Amb27236595 [1,0,0,0,0,0|0,0,2]=3 54 B9R0.18 CCCCC(O)\C=C\C=O Amb18643941 [1,0,0,0,0,0|0,0,0]=1 55 B9R0.18 CCCCC(O)\C=C\CO Amb28050649 [1,0,0,0,0,0|0,0,2]=3 56 B9R0.18 CCCC[C@@H](C)\C=C\CO Amb28350350 [1,0,0,0,0,0|1,0,2]=4 57 B9R0.18 CCCC[C@@H](O)\C=C\C#N Amb27770522 [1,0,0,0,0,0|1,0,1]=3 58 B9R0.18 CCCC[C@H](O)\C=C\CO Amb27213889 [1,0,0,0,0,0|0,0,2]=3 59 B9R0.18 CC\C=C\C(O)COCC Amb27213918 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.18 C\C=C\CC(N)CCCC Amb26501784 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.18 C\C=C\CC(O)CCCC Amb28457872 [1,0,0,0,0,0|1,0,1]=3 62 B9R0.18 C\C=C\C[C@H](O)CCCC Amb28050754 [1,0,0,0,0,0|1,0,1]=3 63 B9R0.18 O=COCC(O)CCCO Amb27603706 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.18 OC\C=C\[C@@H](O)CCCO Amb28064019 [1,0,0,0,0,0|1,0,2]=4 65 B9R0.45 C#C\C=C\CCCCCO Amb28050732 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.45 C=CCCCCCCCC Amb3940503 [1,0,0,0,0,0|1,0,2]=4 67 B9R0.45 C=CCCCC\C=C\C=O Amb17593510 [1,0,0,0,0,0|0,0,2]=3 68 B9R0.45 C=CCNCCCCCC Amb7756950 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.45 C=CCOCCCCCC Amb17933923 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.45 C=CCSCCCCCC Amb22733767 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.45 C=CC\C=C/CCCCC Amb27423727 [1,0,0,0,0,0|1,0,2]=4 72 B9R0.45 C=CC\C=C\CCCCC Amb27629643 [1,0,0,0,0,0|1,0,2]=4 73 B9R0.45 C=C\C=C/CCCCCC Amb22641680 [1,0,0,0,0,0|1,0,0]=2 74 B9R0.45 C=C\C=C\CCCCCO Amb27242542 [1,0,0,0,0,0|2,0,0]=3 75 B9R0.45 C=C\C=C\CCNCCC Amb28049583 [1,0,0,0,0,0|2,0,0]=3 76 B9R0.45 CCCCCCCN=C=O Amb3940866 [1,0,0,0,0,0|1,0,2]=4 77 B9R0.45 CCCCCCCNC=O Amb27170738 [1,0,0,0,0,0|1,0,1]=3 78 B9R0.45 CCCCCCCOC=O Amb9787223 [1,0,0,0,0,0|1,0,1]=3 79 B9R0.45 CCCCCCC\C=N\N Amb28193253 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.45 CCCCCCOCC=O Amb26624223 [1,0,0,0,0,0|1,0,1]=3 81 B9R0.45 CCCCCCO\C=C/Cl Amb27984890 [1,0,0,0,0,0|2,0,0]=3 82 B9R0.45 CCCCCC\C=C/CO Amb10807383 [1,0,0,0,0,0|0,0,2]=3 83 B9R0.45 CCCCCC\C=C\C=O Amb24061310 [1,0,0,0,0,0|0,0,0]=1 84 B9R0.45 CCCCCC\C=C\CO Amb22168300 [1,0,0,0,0,0|0,0,2]=3 85 B9R0.45 CCCCCC\C=C\OC Amb30621739 [1,0,0,0,0,0|2,0,0]=3 86 B9R0.45 CCCCCOCCC=O Amb27628424 [1,0,0,0,0,0|1,0,2]=4 87 B9R0.45 CCCCNC\C=C\CN Amb27391026 [1,0,0,0,0,0|2,0,1]=4 88 B9R0.45 CCCCOC\C=C/CBr Amb27798436 [1,0,0,0,0,0|2,0,1]=4 89 B9R0.45 CCCCOC\C=C\CBr Amb28318470 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.45 CCCCOC\C=C\CN Amb27877410 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.45 CCCCOC\C=C\CO Amb28453524 [1,0,0,0,0,0|1,0,2]=4 92 B9R0.45 CCCCOC\C=C\CS Amb27809829 [1,0,0,0,0,0|1,1,1]=4 93 B9R0.45 CCCCSC\C=C\CO Amb28205928 [1,0,0,0,0,0|1,0,2]=4 94 B9R0.45 CCCCSC\C=C\CS Amb27632116 [1,0,0,0,0,0|1,1,1]=4 95 B9R0.45 CCCOCCCNC=O Amb27453700 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.45 CCC\C=C\C\C=C\C=O Amb27635823 [1,0,0,0,0,0|0,0,2]=3 97 B9R0.45 CCOCCCCNC=O Amb27634560 [1,0,0,0,0,0|2,0,1]=4 98 B9R0.45 CC\C=C/CC\C=C\C=O Amb2720527 [1,0,0,0,0,0|0,0,2]=3 99 B9R0.45 CC\C=C\CCCCCC Amb22231672 [1,0,0,0,0,0|1,0,1]=3 100 B9R0.45 CC\C=C\CC\C=C\C=O Amb18124509 [1,0,0,0,0,0|0,0,2]=3 101 B9R0.45 CC\C=C\COCCCC Amb25912010 [1,0,0,0,0,0|2,0,1]=4 102 B9R0.45 CSCCCCCNC=O Amb27165514 [1,0,0,0,0,0|2,0,1]=4 103 B9R0.45 CSCCCC\C=C\CO Amb27604531 [1,0,0,0,0,0|1,0,2]=4 104 B9R0.45 C\C=C/C=C\CCCCC Amb22641684 [1,0,0,0,0,0|1,0,1]=3 105 B9R0.45 C\C=C/CCCCCCC Amb26019969 [1,0,0,0,0,0|1,0,1]=3 106 B9R0.45 C\C=C\C=C\CCCCBr Amb28137170 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.45 C\C=C\CCCCCCO Amb27980554 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.45 C\C=C\CCCCCNC Amb26398871 [1,0,0,0,0,0|2,0,1]=4 109 B9R0.45 C\C=C\CCNCCCC Amb27789929 [1,0,0,0,0,0|2,0,1]=4 110 B9R0.45 C\C=C\OCCCCCO Amb28350349 [1,0,0,0,0,0|3,0,0]=4 111 B9R0.45 NCCCCCCNC=O Amb28251393 [1,0,0,0,0,0|2,0,1]=4 112 B9R0.45 O=CCCCCCCCF Amb25075653 [1,0,0,0,0,0|1,0,2]=4 113 B9R0.45 O=CCCCCCCCO Amb25765567 [1,0,0,0,0,0|1,0,2]=4 114 B9R0.45 O=C\C=C/CCCCC=O Amb27168965 [1,0,0,0,0,0|1,0,1]=3 115 B9R0.45 OC\C=C\CCCCCBr Amb24666213 [1,0,0,0,0,0|1,0,2]=4 116 B9R0.45 OC\C=C\CCCCCO Amb27204813 [1,0,0,0,0,0|1,0,2]=4 117 B11R0.46 CCCCCC(C)CCC(=O)O Amb10807482 [0,1,0,0,0,0|1,0,2]=4 118 B11R0.46 CCCCCC(C)CCC(=O)[O-] Amb33513096 [0,1,0,0,0,0|1,0,2]=4 119 B11R0.46 CCCCNC(=O)\C=C\C(=O)O Amb1234975 [0,1,0,0,0,0|1,0,2]=4 120 B11R0.46 CCCCOC(=O)\C=C\C(=O)O Amb6891964 [0,1,0,0,0,0|1,0,2]=4 121 B11R0.154 CCCCCC(O)CC(=O)OC Amb21928835 [0,1,0,0,0,0|2,0,1]=4 122 B11R0.154 CCCCC[C@@H](O)CC(=O)OC Amb31308366 [0,1,0,0,0,0|2,0,1]=4 123 B11R0.154 CCCCC[C@H](O)CC(=O)OC Amb33872469 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.5 C=CCC1CCCCCC1O Amb18182944 [0,0,0,1,0,0|1,0,2]=4 125 B11R1.5 C=CC[C@@H]1CCCCC[C@H]1O Amb25968545 [0,0,0,1,0,0|1,0,2]=4 126 B11R1.5 C=C\C=C1/CCCCCC1=O Amb28383036 [0,0,0,1,0,0|1,0,2]=4 127 B11R1.5 CC1CCCCC\C1=C/C#N Amb35611352 [0,0,0,1,0,0|2,0,1]=4 128 B11R1.5 CC1CCCCC\C1=C/CN Amb35734031 [0,0,0,1,0,0|2,0,1]=4 129 B11R1.5 C\C=C\C1CCCCCC1O Amb33213699 [0,0,0,1,0,0|1,0,1]=3 130 B11R1.5 C\C=C\[C@@H]1CCCCC[C@H]1O Amb32950402 [0,0,0,1,0,0|1,0,1]=3 131 B11R1.5 O=CCC1OCCCCC1O Amb28350808 [0,0,0,1,0,0|1,0,2]=4 132 B11R1.5 O=COC1CCCCCC1Cl Amb27444181 [0,0,0,1,0,0|2,0,1]=4 133 B11R1.17 CCCCC1C=CCCC1O Amb27768426 [0,0,0,1,0,0|1,0,2]=4 134 B11R1.17 CCCCC1CCC=CC1O Amb27472611 [0,0,0,1,0,0|1,0,1]=3 135 B11R1.17 CCCC[C@H]1C=CCC[C@H]1O Amb27199462 [0,0,0,1,0,0|1,0,2]=4 136 B11R1.17 CCCCc1ccccc1O Amb25744605 [0,0,0,1,0,0|1,0,2]=4 137 B11R1.17 CCCCc1ncccc1O Amb27483034 [0,0,0,1,0,0|1,0,2]=4 138 B11R1.17 OCCC[C@@H]1OCC=C[C@@H]1O Amb27853821 [0,0,0,1,0,0|1,0,2]=4 139 B11R1.24 CC1CCCC(CN=C=O)O1 Amb35648576 [0,0,0,1,0,0|1,0,2]=4 140 B11R1.24 CC1CCCC(CNC=O)O1 Amb35637303 [0,0,0,1,0,0|1,0,1]=3 141 B11R1.24 CC1CCCC(SCC=O)C1 Amb18183716 [0,0,0,1,0,0|2,0,1]=4 142 B11R1.24 CC1CCCC(\C=C\CO)C1 Amb27617458 [0,0,0,1,0,0|1,0,2]=4 143 B11R1.24 CC1CCCC(\C=C\CO)N1 Amb18125893 [0,0,0,1,0,0|1,0,2]=4 144 B11R1.24 CC\C=C\[C@H]1CCC[C@H](C)N1 Amb27633547 [0,0,0,1,0,0|2,0,1]=4 145 B11R1.24 C[C@@H]1CCC[C@@H](\C=C/CO)N1 Amb27191878 [0,0,0,1,0,0|1,0,2]=4 146 B11R1.24 O=C\C=C\C1CCCC(=O)C1 Amb27205239 [0,0,0,1,0,0|2,0,1]=4 147 B11R1.27 CCCCCC1=CCC(=O)N1 Amb25384805 [0,0,0,1,0,0|1,0,2]=4 148 B11R1.27 CCCCCC1=CCC(=O)O1 Amb26998895 [0,0,0,1,0,0|0,0,2]=3 149 B11R1.27 CCCCCC1=NNC(=O)O1 Amb24755475 [0,0,0,1,0,0|2,0,1]=4 150 B11R1.27 CCCCCC1C=CC(=O)O1 Amb24766300 [0,0,0,1,0,0|0,0,0]=1 151 B11R1.27 CCCCCC1CCC(=O)O1 Amb569744 [0,0,0,1,0,0|0,0,2]=3 152 B11R1.27 CCCCCC1CN=C(N)O1 Amb27987869 [0,0,0,1,0,0|2,0,1]=4 153 B11R1.27 CCCCCC1CNC(=O)O1 Amb27987874 [0,0,0,1,0,0|1,0,1]=3 154 B11R1.27 CCCCC[C@@H]1CCC(=O)C1 Amb27673726 [0,0,0,1,0,0|1,0,2]=4 155 B11R1.27 CCCCC[C@H]1CCC(=O)C1 Amb28080151 [0,0,0,1,0,0|1,0,2]=4 156 B11R1.27 CCCCC[C@H]1CCC(=O)N1 Amb28080184 [0,0,0,1,0,0|1,0,2]=4 157 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [0,0,0,1,0,0|0,0,2]=3 158 B11R1.27 CCCCCc1ccc(Br)s1 Amb26081675 [0,0,0,1,0,0|1,1,1]=4 159 B11R1.27 CCCCCc1ccc(C)o1 Amb27672035 [0,0,0,1,0,0|1,0,1]=3 160 B11R1.27 CCCCCn1ccc(Br)n1 Amb27988786 [0,0,0,1,0,0|3,0,0]=4 161 B11R1.27 CCCCCn1ccc(Cl)n1 Amb27988787 [0,0,0,1,0,0|3,0,0]=4 162 B11R1.27 CCCCCn1ccc(I)n1 Amb28386943 [0,0,0,1,0,0|3,0,0]=4 163 B11R1.27 CCCCCn1ccc(N)n1 Amb18791553 [0,0,0,1,0,0|3,0,0]=4 164 B11R1.27 CCCCOC1C=CC(=O)N1 Amb27673614 [0,0,0,1,0,0|2,0,0]=3 165 B11R1.27 CCCNCC1CNC(=O)O1 Amb28352094 [0,0,0,1,0,0|2,0,1]=4 166 B11R1.27 CCCNCc1ccc(Br)o1 Amb6270338 [0,0,0,1,0,0|2,0,1]=4 167 B11R1.27 CCCNCc1ccc(C)o1 Amb20673507 [0,0,0,1,0,0|2,0,1]=4 168 B11R1.27 CCCNCc1ccc(C)o1 Amb2592337 [0,0,0,1,0,0|2,0,1]=4 169 B11R1.27 CCCNCc1ccc(Cl)o1 Amb18303796 [0,0,0,1,0,0|2,0,1]=4 170 B11R1.27 CCNCCc1ccc(Br)o1 Amb27670959 [0,0,0,1,0,0|2,0,1]=4 171 B11R1.27 CCNCCc1ccc(C)o1 Amb27670957 [0,0,0,1,0,0|2,0,1]=4 172 B11R1.27 CNCCCc1ccc(Br)o1 Amb28387938 [0,0,0,1,0,0|2,0,1]=4 173 B11R1.27 CNCCCc1ccc(C)o1 Amb18125591 [0,0,0,1,0,0|2,0,1]=4 174 B11R1.27 Cc1ccc(CCCCBr)o1 Amb27672185 [0,0,0,1,0,0|2,0,1]=4 175 B11R1.27 Cc1ccc(CCCCN)o1 Amb18831090 [0,0,0,1,0,0|2,0,1]=4 176 B11R1.27 NCCCCC1CCC(=O)O1 Amb27671667 [0,0,0,1,0,0|1,0,2]=4 177 B11R1.27 NCCCCc1ccc(Br)o1 Amb28387923 [0,0,0,1,0,0|2,0,1]=4 178 B11R1.27 NCCCCc1ccc(Cl)o1 Amb18197810 [0,0,0,1,0,0|2,0,1]=4 179 B11R1.27 O=C1C=C[C@@H](CCCCO)O1 Amb27989710 [0,0,0,1,0,0|1,0,0]=2 180 B11R1.27 OCCCCc1ccc(Br)o1 Amb27674012 [0,0,0,1,0,0|2,0,1]=4 181 B11R1.27 [N-]=[N+]=NCCC1C=CC(=O)O1 Amb28123165 [0,0,0,1,0,0|3,0,0]=4 182 B11R1.28 CCCCC[n+]1ccccc1 Amb24754723 [0,0,0,1,0,0|3,0,0]=4 183 B11R1.28 CCCCCc1ccccc1 Amb2722921 [0,0,0,1,0,0|2,0,1]=4 184 B11R1.28 CCCCCc1ccccn1 Amb533507 [0,0,0,1,0,0|2,0,1]=4 185 B11R1.28 CCCCCc1cccnc1 Amb17672949 [0,0,0,1,0,0|2,0,1]=4 186 B11R1.28 OCCCCC1C=CCCO1 Amb27989629 [0,0,0,1,0,0|2,0,1]=4 187 B11R1.28 OCCCCC1CC=CCO1 Amb28079971 [0,0,0,1,0,0|2,0,1]=4 188 B11R1.29 C=CCCC(O)C1CCCC1 Amb27271598 [0,0,0,1,0,0|1,0,2]=4 189 B11R1.29 C\C=C\CC(N)C1CCCC1 Amb35593002 [0,0,0,1,0,0|2,0,1]=4 190 B11R1.29 NC(C\C=C\Cl)C1CCCC1 Amb30029400 [0,0,0,1,0,0|2,0,1]=4 191 B11R1.29 O=CCCC(O)C1CCCO1 Amb27986419 [0,0,0,1,0,0|1,0,2]=4 192 B11R1.101 ClC1C=CCCCCCCC1 Amb28285392 [0,0,0,1,0,0|2,0,1]=4 193 B11R1.101 OC1CC=CC#CCCCC1 Amb27662433 [0,0,0,1,0,0|1,0,2]=4 194 B11R1.101 O[C@H]1C=C=CCCCCCC1 Amb27207812 [0,0,0,1,0,0|1,0,1]=3 195 B11R1.101 O[C@H]1C=CCCCCCCC1 Amb28206118 [0,0,0,1,0,0|1,0,1]=3 196 B11R1.144 CN1C=CC(=O)CCCCC1 Amb27164516 [0,0,0,1,0,0|2,0,0]=3 197 B11R1.182 CCCC1OC(O)C=CC1=O Amb28074701 [0,0,0,1,0,0|1,0,0]=2 198 B11R1.182 CCCN1CC(O)CNC1=O Amb28125572 [0,0,0,1,0,0|2,0,1]=4 199 B11R1.203 NC\C=C\C1CCCCCC1 Amb33222470 [0,0,0,1,0,0|2,0,1]=4 200 B11R1.203 O=CCCC1CCCCCC1 Amb26946978 [0,0,0,1,0,0|1,0,2]=4 201 B11R1.203 O=CCOC1CCCCCC1 Amb18183074 [0,0,0,1,0,0|2,0,1]=4 202 B11R1.203 O=CNCC1CCCCCC1 Amb28193191 [0,0,0,1,0,0|2,0,1]=4 203 B11R1.203 O=C\C=C\C1CCCCCC1 Amb33079648 [0,0,0,1,0,0|1,0,0]=2 204 B11R1.203 OC\C=C\C1CCCCCC1 Amb33474211 [0,0,0,1,0,0|1,0,2]=4 205 B11R1.245 C=CC1=CC(=O)CCCCC1 Amb28144039 [0,0,0,1,0,0|1,0,2]=4 206 B11R1.276 CCC1C=CC=CC(O)C=C1 Amb27176600 [0,0,0,1,0,0|1,0,2]=4 207 B11R1.276 CC[C@@H]1C=CC=C[C@@H](O)C=C1 Amb26970424 [0,0,0,1,0,0|1,0,2]=4 208 B11R1.276 CC[C@H]1C=CC=C[C@H](O)C=C1 Amb27453427 [0,0,0,1,0,0|1,0,2]=4 209 B11R1.284 NC(CCC=O)CC1CCC1 Amb33036400 [0,0,0,1,0,0|1,0,2]=4 210 B11R1.465 C=C1COC(O)C1CCCC Amb27593956 [0,0,0,1,0,0|2,0,1]=4 211 B11R1.465 CCCCC1C(=O)COC1C Amb29864314 [0,0,0,1,0,0|2,0,1]=4 212 B11R1.465 CCCCN1C(=O)C=CC1=O Amb2695978 [0,0,0,1,0,0|1,0,2]=4 213 B11R1.465 CCCC[C@@H]1C(=O)OC[C@@H]1O Amb27632041 [0,0,0,1,0,0|1,0,1]=3 214 B11R1.605 C=CC[C@@H]1[C@@H](O)CCC[C@H]1C Amb26397041 [0,0,0,1,0,0|1,0,2]=4 215 B11R1.605 CC1CCCC(C)C1NC=O Amb28423862 [0,0,0,1,0,0|2,0,1]=4 216 B11R1.605 CC1CCCC(C)N1CC=O Amb18183006 [0,0,0,1,0,0|2,0,1]=4 217 B11R1.900 C=CC#CC1(O)CCCCC1 Amb17593747 [0,0,0,1,0,0|1,0,2]=4 218 B11R1.900 CC1(CCC=O)CCCCC1 Amb33417934 [0,0,0,1,0,0|1,0,2]=4 219 B11R1.900 CC1(\C=C\C=O)CCCCC1 Amb33417949 [0,0,0,1,0,0|1,0,0]=2 220 B11R1.900 CC1(\C=C\C=O)CCOCC1 Amb33448707 [0,0,0,1,0,0|2,0,0]=3 221 B11R1.900 CC1(\C=C\CCl)CCCCC1 Amb27191654 [0,0,0,1,0,0|2,0,1]=4 222 B11R1.900 CC1(\C=C\CN)CCCCC1 Amb33417973 [0,0,0,1,0,0|2,0,1]=4 223 B11R1.900 CC1(\C=C\CO)CCCCC1 Amb27862665 [0,0,0,1,0,0|1,0,2]=4 224 B11R1.900 CC=C=CC1(C)CCCCC1 Amb27396364 [0,0,0,1,0,0|2,0,1]=4 225 B11R1.900 CC\C=C\C1(N)CCCCC1 Amb33225040 [0,0,0,1,0,0|2,0,1]=4 226 B11R1.900 C\C=C\CC1(N)CCCCC1 Amb35653987 [0,0,0,1,0,0|2,0,1]=4 227 B11R1.900 NC1(CCC=O)CCCCC1 Amb33036341 [0,0,0,1,0,0|1,0,2]=4 228 B11R1.900 NC1(C\C=C\Cl)CCCCC1 Amb35657868 [0,0,0,1,0,0|2,0,1]=4 229 B11R1.900 O=CCCC1(Cl)CCCCC1 Amb27854592 [0,0,0,1,0,0|1,0,2]=4 230 B11R1.900 O=CCCC1(O)CCCCC1 Amb28194590 [0,0,0,1,0,0|0,0,2]=3 231 B11R1.900 O=CCCC1(O)CCCOC1 Amb27467394 [0,0,0,1,0,0|1,0,2]=4 232 B11R1.900 O=CNCC1(O)CCCCC1 Amb27486903 [0,0,0,1,0,0|1,0,1]=3 233 B11R1.900 OC1(C\C=C\Cl)CCCCC1 Amb27858738 [0,0,0,1,0,0|1,0,1]=3 234 B11R1.900 OC\C=C\C1(O)CCOCC1 Amb27472765 [0,0,0,1,0,0|1,0,2]=4 235 B11R1.900 O\N=C\CC1(O)CCCCC1 Amb27202052 [0,0,0,1,0,0|1,0,2]=4 236 B11R1.985 CCCCCC1(O)CNC1=O Amb27673628 [0,0,0,1,0,0|1,0,1]=3 237 B11R1.1133 CC1CCCC1(N)C\C=C\Cl Amb35657885 [0,0,0,1,0,0|2,0,1]=4 238 B11R1.1133 CC1CCCC1(O)CNC=O Amb27817065 [0,0,0,1,0,0|1,0,1]=3 239 B11R1.1133 CC1COCC1(O)CCC=O Amb29882771 [0,0,0,1,0,0|1,0,2]=4 240 B11R1.1133 CC1OCCC1(O)CCC=O Amb27768401 [0,0,0,1,0,0|1,0,2]=4 241 B11R1.1133 C\C=C\CC1(N)CCCC1C Amb35643043 [0,0,0,1,0,0|2,0,1]=4 242 B8R0.1 C#C\C=C\C(O)CCC Amb27405234 [2,0,0,0,0,0|1,0,1]=4 243 B8R0.1 C=C=CC(O)CCCC Amb28065816 [2,0,0,0,0,0|0,0,1]=3 244 B8R0.1 C=C=C[C@@H](O)CCCC Amb28315458 [2,0,0,0,0,0|0,0,1]=3 245 B8R0.1 C=CCC(O)CCCCl Amb27168820 [2,0,0,0,0,0|1,0,1]=4 246 B8R0.1 C=CC[C@@H](O)CCCC Amb28139816 [2,0,0,0,0,0|0,0,1]=3 247 B8R0.1 CC=C=CC(O)CCC Amb28321362 [2,0,0,0,0,0|1,0,1]=4 248 B8R0.1 CCCC(C)\C=C\C=O Amb18642466 [2,0,0,0,0,0|1,0,0]=3 249 B8R0.1 CCCC(O)CNC=O Amb27751441 [2,0,0,0,0,0|1,0,1]=4 250 B8R0.1 CCCC(O)\C=C\C=O Amb24513207 [2,0,0,0,0,0|0,0,0]=2 251 B8R0.1 CCCC(O)\C=C\CO Amb27406730 [2,0,0,0,0,0|0,0,2]=4 252 B8R0.1 CCCC(O)\C=C\SC Amb28315563 [2,0,0,0,0,0|2,0,0]=4 253 B8R0.1 CCCCC(C)CC=O Amb18642676 [2,0,0,0,0,0|1,0,1]=4 254 B8R0.1 CCCC\C(O)=C\C=O Amb27257932 [2,0,0,0,0,0|0,0,1]=3 255 B8R0.1 CCC[C@H](C)\C=C\C=O Amb27949653 [2,0,0,0,0,0|1,0,0]=3 256 B8R0.1 CCC[C@H](O)\C=C\C#N Amb27213959 [2,0,0,0,0,0|1,0,1]=4 257 B8R0.1 CCOC(C)\C=C\C=O Amb33358531 [2,0,0,0,0,0|2,0,0]=4 258 B8R0.1 C\C=C\C(O)CCCC Amb4605888 [2,0,0,0,0,0|0,0,1]=3 259 B8R0.1 C\C=C\C(O)CCNC Amb25947011 [2,0,0,0,0,0|1,0,1]=4 260 B8R0.1 C\C=C\C[C@H](O)CCC Amb27424856 [2,0,0,0,0,0|1,0,1]=4 261 B8R0.4 C=C=CCCCCCN Amb28313150 [2,0,0,0,0,0|1,0,1]=4 262 B8R0.4 C=C=CCCNCCC Amb27945550 [2,0,0,0,0,0|1,0,1]=4 263 B8R0.4 C=C=CCNCCCC Amb28043104 [2,0,0,0,0,0|1,0,1]=4 264 B8R0.4 C=CCCCCCCBr Amb3940223 [2,0,0,0,0,0|1,0,1]=4 265 B8R0.4 C=CCCCCCCC Amb3940502 [2,0,0,0,0,0|0,0,1]=3 266 B8R0.4 C=CCCCCCCCl Amb6298879 [2,0,0,0,0,0|1,0,1]=4 267 B8R0.4 C=CCCCCCCI Amb26577493 [2,0,0,0,0,0|1,0,1]=4 268 B8R0.4 C=CCCCCCCN Amb33543931 [2,0,0,0,0,0|1,0,1]=4 269 B8R0.4 C=CCCCCCCO Amb22230162 [2,0,0,0,0,0|1,0,1]=4 270 B8R0.4 C=CCCCCCNC Amb19335339 [2,0,0,0,0,0|1,0,1]=4 271 B8R0.4 C=CCCCCCSC Amb27780646 [2,0,0,0,0,0|1,0,1]=4 272 B8R0.4 C=CCCCCNCC Amb27461423 [2,0,0,0,0,0|1,0,1]=4 273 B8R0.4 C=CCCSCCCC Amb28078650 [2,0,0,0,0,0|1,0,1]=4 274 B8R0.4 C=CCNCCCCC Amb6706493 [2,0,0,0,0,0|1,0,1]=4 275 B8R0.4 C=CCSCCCCC Amb27837635 [2,0,0,0,0,0|1,0,1]=4 276 B8R0.4 C=CNCCCCCC Amb27398596 [2,0,0,0,0,0|1,0,0]=3 277 B8R0.4 C=COCCCCCC Amb24440550 [2,0,0,0,0,0|1,0,0]=3 278 B8R0.4 C=COCCCNCC Amb6735761 [2,0,0,0,0,0|2,0,0]=4 279 B8R0.4 C=C\C=C\CCCCBr Amb32688174 [2,0,0,0,0,0|1,0,1]=4 280 B8R0.4 C=C\C=C\CCCCC Amb22641683 [2,0,0,0,0,0|0,0,1]=3 281 B8R0.4 C=C\C=C\CCCCCl Amb32688173 [2,0,0,0,0,0|1,0,1]=4 282 B8R0.4 C=C\C=C\CCNCC Amb27873157 [2,0,0,0,0,0|1,0,1]=4 283 B8R0.4 C=C\C=C\CNCCC Amb26967633 [2,0,0,0,0,0|1,0,1]=4 284 B8R0.4 CCCC#C\C=C\C=O Amb25108334 [2,0,0,0,0,0|0,0,2]=4 285 B8R0.4 CCCCCC#CC=O Amb9825881 [2,0,0,0,0,0|0,0,2]=4 286 B8R0.4 CCCCCCCC=O Amb6891949 [2,0,0,0,0,0|0,0,1]=3 287 B8R0.4 CCCCCCN=C=O Amb8516659 [2,0,0,0,0,0|1,0,1]=4 288 B8R0.4 CCCCCCNC=S Amb27880264 [2,0,0,0,0,0|1,1,0]=4 289 B8R0.4 CCCCCCON=O Amb17672945 [2,0,0,0,0,0|2,0,0]=4 290 B8R0.4 CCCCCC\C=C\Br Amb24677708 [2,0,0,0,0,0|1,0,0]=3 291 B8R0.4 CCCCCC\C=C\I Amb24446897 [2,0,0,0,0,0|1,0,0]=3 292 B8R0.4 CCCCCC\C=N\N Amb28049289 [2,0,0,0,0,0|2,0,0]=4 293 B8R0.4 CCCCCOCC=O Amb27230502 [2,0,0,0,0,0|1,0,1]=4 294 B8R0.4 CCCCC\C=C\C#N Amb18642132 [2,0,0,0,0,0|1,0,1]=4 295 B8R0.4 CCCCC\C=C\CBr Amb17666913 [2,0,0,0,0,0|1,0,1]=4 296 B8R0.4 CCCCC\C=C\CO Amb33038088 [2,0,0,0,0,0|0,0,2]=4 297 B8R0.4 CCCCNC\C=C\Br Amb27631443 [2,0,0,0,0,0|2,0,0]=4 298 B8R0.4 CCCCNC\C=C\Cl Amb27860069 [2,0,0,0,0,0|2,0,0]=4 299 B8R0.4 CCCCOCCC=O Amb27880111 [2,0,0,0,0,0|1,0,1]=4 300 B8R0.4 CCCCOCNC=O Amb27392745 [2,0,0,0,0,0|2,0,0]=4 301 B8R0.4 CCCCSCNC=O Amb27656061 [2,0,0,0,0,0|2,0,0]=4 302 B8R0.4 CCCOCCCC=O Amb27795367 [2,0,0,0,0,0|1,0,1]=4 303 B8R0.4 CCCSCCNC=O Amb27630895 [2,0,0,0,0,0|2,0,0]=4 304 B8R0.4 CCC\C=C/C=C/C=O Amb27643510 [2,0,0,0,0,0|0,0,2]=4 305 B8R0.4 CCC\C=C\C=C\C=O Amb8392848 [2,0,0,0,0,0|0,0,2]=4 306 B8R0.4 CCNCCCNC=O Amb27220690 [2,0,0,0,0,0|2,0,0]=4 307 B8R0.4 CCOCO\C=C\C=O Amb26393569 [2,0,0,0,0,0|2,0,0]=4 308 B8R0.4 CCSCCCCC=O Amb24690525 [2,0,0,0,0,0|1,0,1]=4 309 B8R0.4 CCSCCCNC=O Amb27457130 [2,0,0,0,0,0|2,0,0]=4 310 B8R0.4 CC\C=C/CCCCC Amb25258581 [2,0,0,0,0,0|1,0,1]=4 311 B8R0.4 CC\C=C/C\C=C\C=O Amb28251042 [2,0,0,0,0,0|0,0,2]=4 312 B8R0.4 CC\C=C\CCCCC Amb22347893 [2,0,0,0,0,0|1,0,1]=4 313 B8R0.4 COCCCCCC=O Amb27467958 [2,0,0,0,0,0|1,0,1]=4 314 B8R0.4 CSCCCCCC=O Amb27981887 [2,0,0,0,0,0|1,0,1]=4 315 B8R0.4 CSCCCCNC=O Amb28366040 [2,0,0,0,0,0|2,0,0]=4 316 B8R0.4 C\C=C/CCCCCC Amb27478896 [2,0,0,0,0,0|0,0,1]=3 317 B8R0.4 C\C=C\C=C\CCCC Amb24477896 [2,0,0,0,0,0|1,0,1]=4 318 B8R0.4 C\C=C\CCCCCC Amb19930200 [2,0,0,0,0,0|0,0,1]=3 319 B8R0.4 C\C=C\CCCCCO Amb25247777 [2,0,0,0,0,0|1,0,1]=4 320 B8R0.4 C\C=C\CC\C=C\C=O Amb18642215 [2,0,0,0,0,0|0,0,2]=4 321 B8R0.4 O=CCCCCCCBr Amb22755463 [2,0,0,0,0,0|1,0,1]=4 322 B8R0.4 O=CCCCCCCCl Amb27262031 [2,0,0,0,0,0|1,0,1]=4 323 B8R0.4 O=C\C=C/CCCC=O Amb28202061 [2,0,0,0,0,0|1,0,1]=4 324 B8R0.6 C#CC(O)CCCCC Amb2721717 [2,0,0,0,0,0|0,0,2]=4 325 B8R0.6 C#CCCCC(O)C=C Amb27613420 [2,0,0,0,0,0|0,0,2]=4 326 B8R0.6 C#C[C@@H](O)CCCCC Amb8516365 [2,0,0,0,0,0|0,0,2]=4 327 B8R0.6 C#C[C@H](O)CCCCC Amb8516404 [2,0,0,0,0,0|0,0,2]=4 328 B8R0.6 C=C(C=O)CCCCC Amb18642442 [2,0,0,0,0,0|1,0,1]=4 329 B8R0.6 C=CC(=O)CCCCC Amb20671146 [2,0,0,0,0,0|0,0,2]=4 330 B8R0.6 C=CC(C)CCCCC Amb27963700 [2,0,0,0,0,0|1,0,0]=3 331 B8R0.6 C=CC(C)OCCCC Amb27420990 [2,0,0,0,0,0|2,0,0]=4 332 B8R0.6 C=CC(C)SCCCC Amb28190115 [2,0,0,0,0,0|2,0,0]=4 333 B8R0.6 C=CC(Cl)CCCOC Amb27965062 [2,0,0,0,0,0|2,0,0]=4 334 B8R0.6 C=CC(Cl)CCOCC Amb27196600 [2,0,0,0,0,0|2,0,0]=4 335 B8R0.6 C=CC(N)CCCOC Amb28124519 [2,0,0,0,0,0|2,0,0]=4 336 B8R0.6 C=CC(O)CC#CCC Amb27833137 [2,0,0,0,0,0|0,0,2]=4 337 B8R0.6 C=CC(O)CCCCBr Amb27666905 [2,0,0,0,0,0|1,0,0]=3 338 B8R0.6 C=CC(O)CCCCC Amb3940384 [2,0,0,0,0,0|0,0,0]=2 339 B8R0.6 C=CC(O)CCCCO Amb28193458 [2,0,0,0,0,0|1,0,0]=3 340 B8R0.6 C=CC(O)CNCCCl Amb27444853 [2,0,0,0,0,0|2,0,0]=4 341 B8R0.6 C=CC(O)CNCCO Amb27410210 [2,0,0,0,0,0|2,0,0]=4 342 B8R0.6 C=CC(O)CSCCC Amb28200246 [2,0,0,0,0,0|1,0,0]=3 343 B8R0.6 C=CC(O)\C=C\CCC Amb33474698 [2,0,0,0,0,0|0,0,2]=4 344 B8R0.6 C=CCCCC(O)C=C Amb22354191 [2,0,0,0,0,0|0,0,2]=4 345 B8R0.6 C=CCCC[C@@H](O)C=C Amb27647926 [2,0,0,0,0,0|0,0,2]=4 346 B8R0.6 C=CCCC[C@H](O)C=C Amb27805375 [2,0,0,0,0,0|0,0,2]=4 347 B8R0.6 C=C[C@@H](O)CCCCC Amb8513277 [2,0,0,0,0,0|0,0,0]=2 348 B8R0.6 C=C[C@@H](O)C\C=C\CC Amb28049222 [2,0,0,0,0,0|0,0,2]=4 349 B8R0.6 C=C[C@H](Cl)CCCCC Amb27863541 [2,0,0,0,0,0|1,0,0]=3 350 B8R0.6 C=C[C@H](O)CCCCC Amb8515093 [2,0,0,0,0,0|0,0,0]=2 351 B8R0.6 CC#CCCC(O)C=O Amb27219115 [2,0,0,0,0,0|0,0,2]=4 352 B8R0.6 CCCCCC(Cl)C=O Amb18643792 [2,0,0,0,0,0|1,0,0]=3 353 B8R0.6 CCCCCC(O)C#N Amb9295066 [2,0,0,0,0,0|1,0,1]=4 354 B8R0.6 CCCCCC(O)C=O Amb18642802 [2,0,0,0,0,0|0,0,0]=2 355 B8R0.6 CCCCCC(O)CF Amb22546481 [2,0,0,0,0,0|1,0,1]=4 356 B8R0.6 CCCCCC(O)CN Amb8630208 [2,0,0,0,0,0|1,0,1]=4 357 B8R0.6 CCCCCC(O)CO Amb22227711 [2,0,0,0,0,0|0,0,2]=4 358 B8R0.6 CCCCCC(O)CS Amb27404970 [2,0,0,0,0,0|0,1,1]=4 359 B8R0.6 CCCCC[C@@H](C)C=O Amb28351479 [2,0,0,0,0,0|1,0,0]=3 360 B8R0.6 CCCCC[C@@H](O)C#N Amb27593479 [2,0,0,0,0,0|1,0,1]=4 361 B8R0.6 CCCCC[C@@H](O)CC Amb25708717 [2,0,0,0,0,0|0,0,2]=4 362 B8R0.6 CCCCC[C@@H](O)CO Amb28281704 [2,0,0,0,0,0|0,0,2]=4 363 B8R0.6 CCCCC[C@H](Cl)C=O Amb28400198 [2,0,0,0,0,0|1,0,0]=3 364 B8R0.6 CCCCC[C@H](O)C=O Amb28198840 [2,0,0,0,0,0|0,0,0]=2 365 B8R0.6 CCCCC[C@H](O)CC Amb25326807 [2,0,0,0,0,0|0,0,2]=4 366 B8R0.6 CCCCC[C@H](O)CO Amb27762354 [2,0,0,0,0,0|0,0,2]=4 367 B8R0.6 CCCOCC(C)C=O Amb28241425 [2,0,0,0,0,0|2,0,0]=4 368 B8R0.6 COCCCC(C)C=O Amb28118341 [2,0,0,0,0,0|2,0,0]=4 369 B8R0.6 COCCCC(Cl)C=O Amb28146758 [2,0,0,0,0,0|2,0,0]=4 370 B8R0.6 CSCCCC(C)C=O Amb27973193 [2,0,0,0,0,0|2,0,0]=4 371 B8R0.6 NCCCC[C@H](N)C=O Amb27230236 [2,0,0,0,0,0|2,0,0]=4 372 B10R0.1 C=C=CC(O)C#CCCCC Amb27978411 [1,1,0,0,0,0|0,0,2]=4 373 B10R0.1 C=CCC(O)C#CCCCC Amb28080013 [1,1,0,0,0,0|0,0,2]=4 374 B10R0.3 CC(C)CCCC(C)CC=O Amb9787359 [1,1,0,0,0,0|1,0,1]=4 375 B10R0.6 CCCCCC(C)CC(=O)O Amb19375410 [1,1,0,0,0,0|1,0,1]=4 376 B10R0.6 CCCCCC(N)CC(=O)O Amb21857987 [1,1,0,0,0,0|1,0,1]=4 377 B10R0.6 CCCCCC(N)CC(=O)O Amb31307614 [1,1,0,0,0,0|1,0,1]=4 378 B10R0.6 CCCCCC(N)CC(N)=O Amb33255748 [1,1,0,0,0,0|1,0,1]=4 379 B10R0.6 CCCCCC(O)CC(=O)O Amb18797787 [1,1,0,0,0,0|0,0,1]=3 380 B10R0.6 CCCCC[C@@H](O)CC(=O)O Amb31308365 [1,1,0,0,0,0|0,0,1]=3 381 B10R0.6 CCCCC[C@H](O)CC(=O)O Amb33872470 [1,1,0,0,0,0|0,0,1]=3 382 B10R0.24 C=CCC(CBr)CCCCC Amb32689430 [1,1,0,0,0,0|1,0,1]=4 383 B10R0.24 C=CCC(CCl)CCCCC Amb32689474 [1,1,0,0,0,0|1,0,1]=4 384 B10R0.83 CCCCCC(O)C(=O)OC Amb18183408 [1,1,0,0,0,0|1,0,1]=4 385 B10R0.78 CCCCC(O)CCC(=O)O Amb33539237 [1,1,0,0,0,0|0,0,2]=4 386 B10R0.78 CCCCC(O)CCC(=O)[O-] Amb32674867 [1,1,0,0,0,0|0,0,2]=4 387 B10R0.4 C=C(C)\C=C\CCCCCC Amb22546604 [1,1,0,0,0,0|1,0,0]=3 388 B10R0.4 CCCC#CC\C=C\C(=O)O Amb25991326 [1,1,0,0,0,0|0,0,2]=4 389 B10R0.4 CCCCCCC#CC(=O)O Amb2780028 [1,1,0,0,0,0|0,0,2]=4 390 B10R0.4 CCCCCCC#CC(C)=O Amb27672631 [1,1,0,0,0,0|0,0,2]=4 391 B10R0.4 CCCCCCCCC(=O)Cl Amb3941485 [1,1,0,0,0,0|0,0,2]=4 392 B10R0.4 CCCCCCCCC(=O)O Amb3940373 [1,1,0,0,0,0|0,0,2]=4 393 B10R0.4 CCCCCCCCC(=O)[O-] Amb22729912 [1,1,0,0,0,0|0,0,2]=4 394 B10R0.4 CCCCCCCCC(C)=O Amb8513861 [1,1,0,0,0,0|0,0,2]=4 395 B10R0.4 CCCCCCCCC(N)=O Amb8999041 [1,1,0,0,0,0|0,0,2]=4 396 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [1,1,0,0,0,0|1,0,1]=4 397 B10R0.4 CCCCCCCOC(C)=O Amb6366320 [1,1,0,0,0,0|1,0,1]=4 398 B10R0.4 CCCCCCCOC(N)=O Amb32668733 [1,1,0,0,0,0|1,0,1]=4 399 B10R0.4 CCCCCCNCC(=O)O Amb8827565 [1,1,0,0,0,0|1,0,1]=4 400 B10R0.4 CCCCCCOCC(=O)O Amb7790032 [1,1,0,0,0,0|1,0,1]=4 401 B10R0.4 CCCCCC\C=C\B(O)O Amb2456043 [1,1,0,0,0,0|1,0,1]=4 402 B10R0.4 CCCCCC\C=C\C(=O)O Amb3940553 [1,1,0,0,0,0|0,0,0]=2 403 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [1,1,0,0,0,0|0,0,0]=2 404 B10R0.4 CCCCCC\C=C\C(C)O Amb22641689 [1,1,0,0,0,0|0,0,2]=4 405 B10R0.4 CCCCC\C=C\C=C(C)C Amb22546758 [1,1,0,0,0,0|1,0,1]=4 406 B10R0.4 CCCCC\C=C\NC(C)=O Amb28080162 [1,1,0,0,0,0|1,0,1]=4 407 B10R0.4 COCCOC\C=C\C(=O)O Amb18182499 [1,1,0,0,0,0|2,0,0]=4 408 B10R0.71 C=C\C=C/C=C/CCCCC Amb22546765 [1,1,0,0,0,0|1,0,1]=4 409 B10R0.71 CCCCCCCCCC=O Amb3940437 [1,1,0,0,0,0|0,0,2]=4 410 B10R0.71 CCCCCCCCNC=O Amb9787543 [1,1,0,0,0,0|0,0,2]=4 411 B10R0.71 CCCCCCC\C=C\C=O Amb8517160 [1,1,0,0,0,0|0,0,0]=2 412 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,1,0,0,0,0|0,0,2]=4 413 B10R0.71 CCCCC\C=C\C=C\C=O Amb8392854 [1,1,0,0,0,0|0,0,1]=3 414 B10R0.71 CCCCC\C=C\CCC=O Amb33512982 [1,1,0,0,0,0|0,0,2]=4 415 B10R0.71 C\C=C/C\C=C/CCCCC Amb22546768 [1,1,0,0,0,0|1,0,1]=4 416 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [1,1,0,0,0,0|1,0,0]=3 417 B10R0.74 CCCCCCOC(=O)C=O Amb17614962 [1,1,0,0,0,0|1,0,0]=3 418 B10R0.74 CCCCCC\C=C(\I)CC Amb22641682 [1,1,0,0,0,0|1,0,1]=4 419 B12R0.255 CCCCCCC(O)CCC(=O)O Amb19071689 [0,2,0,0,0,0|0,0,2]=4 420 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Amb19149307 [0,2,0,0,0,0|0,0,2]=4 421 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Amb31145472 [0,2,0,0,0,0|0,0,2]=4 422 B10R1.10 C=CCC1CCCC(C)N1 Amb27837976 [1,0,0,1,0,0|1,0,1]=4 423 B10R1.10 C=CC[C@@H]1CCCC(O)O1 Amb28050726 [1,0,0,1,0,0|1,0,1]=4 424 B10R1.10 C=CC[C@@H]1CCC[C@@H](C)N1 Amb28072043 [1,0,0,1,0,0|1,0,1]=4 425 B10R1.10 CC1CCCC(NC=O)C1 Amb28128406 [1,0,0,1,0,0|2,0,0]=4 426 B10R1.10 CC1CCCC(\C=C\Br)C1 Amb33135562 [1,0,0,1,0,0|2,0,0]=4 427 B10R1.10 CC1CCC[C@H](CC=O)O1 Amb27617155 [1,0,0,1,0,0|0,0,1]=3 428 B10R1.10 CNCC1CC=CC(O)C1 Amb27768742 [1,0,0,1,0,0|1,0,1]=4 429 B10R1.10 C[C@@H]1CCCC(CC=O)C1 Amb27491469 [1,0,0,1,0,0|1,0,1]=4 430 B10R1.10 C[C@@H]1CCC[C@@H](NC=O)C1 Amb27446983 [1,0,0,1,0,0|2,0,0]=4 431 B10R1.10 C[C@H]1CCC[C@H](CC=O)O1 Amb28133358 [1,0,0,1,0,0|0,0,1]=3 432 B10R1.10 C\C=C\C1CCCC(O)O1 Amb27472627 [1,0,0,1,0,0|1,0,1]=4 433 B10R1.11 C=C=CC(O)C1CCCC1 Amb27979796 [1,0,0,1,0,0|0,0,1]=3 434 B10R1.11 C=CCC(O)C1CCCS1 Amb27837774 [1,0,0,1,0,0|1,0,1]=4 435 B10R1.11 C=CCC(O)C1CCNC1 Amb35583758 [1,0,0,1,0,0|1,0,1]=4 436 B10R1.11 C=CCC(O)[C@@H]1CCCN1 Amb30038748 [1,0,0,1,0,0|1,0,1]=4 437 B10R1.11 C=CCC(O)[C@@H]1CCNC1 Amb35603309 [1,0,0,1,0,0|1,0,1]=4 438 B10R1.11 C=CCC(O)[C@H]1CCCN1 Amb29891664 [1,0,0,1,0,0|1,0,1]=4 439 B10R1.11 C=CCC(O)[C@H]1CCNC1 Amb35662399 [1,0,0,1,0,0|1,0,1]=4 440 B10R1.11 C=CC[C@@H](N)C1CCCC1 Amb27975693 [1,0,0,1,0,0|1,0,1]=4 441 B10R1.11 C=CC[C@H](O)C1CCCC1 Amb27805427 [1,0,0,1,0,0|0,0,1]=3 442 B10R1.11 CC(CC=O)C1CCCC1 Amb27169437 [1,0,0,1,0,0|1,0,1]=4 443 B10R1.11 C[C@@H](NC=O)C1CCCC1 Amb27424765 [1,0,0,1,0,0|2,0,0]=4 444 B10R1.11 O=CCC(O)C1CCCC1 Amb27970439 [1,0,0,1,0,0|0,0,1]=3 445 B10R1.11 O=CCC(O)C1CCCO1 Amb27755115 [1,0,0,1,0,0|1,0,1]=4 446 B10R1.11 O=C\C=C(/Cl)C1CCCC1 Amb28121770 [1,0,0,1,0,0|1,0,1]=4 447 B10R1.11 OC(\C=C\Cl)C1CCCO1 Amb28342908 [1,0,0,1,0,0|2,0,0]=4 448 B10R1.19 C=CC1CCCCCC1O Amb24748257 [1,0,0,1,0,0|0,0,1]=3 449 B10R1.19 C=C[C@@H]1CCCCC[C@H]1O Amb32945032 [1,0,0,1,0,0|0,0,1]=3 450 B10R1.19 CC1CCCCC=C1C=O Amb28240981 [1,0,0,1,0,0|1,0,1]=4 451 B10R1.19 CC1CCCCCC1C=O Amb28049958 [1,0,0,1,0,0|1,0,1]=4 452 B10R1.19 C\C=C1\CCCCCC1O Amb27839310 [1,0,0,1,0,0|0,0,1]=3 453 B10R1.21 CCCCCc1ccco1 Amb8393189 [1,0,0,1,0,0|0,0,1]=3 454 B10R1.21 CCCCCc1cccs1 Amb2779226 [1,0,0,1,0,0|0,1,1]=4 455 B10R1.21 CCCNCc1ccco1 Amb1127967 [1,0,0,1,0,0|1,0,1]=4 456 B10R1.21 CCCNCc1ccco1 Amb19890265 [1,0,0,1,0,0|1,0,1]=4 457 B10R1.21 CCCSCc1ccco1 Amb24430614 [1,0,0,1,0,0|1,0,1]=4 458 B10R1.21 CNCCCc1ccco1 Amb534654 [1,0,0,1,0,0|1,0,1]=4 459 B10R1.21 ClCCCCc1ccco1 Amb17138477 [1,0,0,1,0,0|1,0,1]=4 460 B10R1.21 NCCCCc1ccco1 Amb5735488 [1,0,0,1,0,0|1,0,1]=4 461 B10R1.21 OCCCCc1ccco1 Amb17106038 [1,0,0,1,0,0|1,0,1]=4 462 B10R1.21 SCCCCc1ccco1 Amb18563472 [1,0,0,1,0,0|1,0,1]=4 463 B10R1.24 O=C1CC(CCCCO)O1 Amb28079077 [1,0,0,1,0,0|1,0,1]=4 464 B10R1.25 CC1=CC(O)CCC1CO Amb27593927 [1,0,0,1,0,0|1,0,1]=4 465 B10R1.25 CCC1CCC(C)=CC1=O Amb28131975 [1,0,0,1,0,0|1,0,1]=4 466 B10R1.25 CCC1CCC(C)CC1=O Amb26909683 [1,0,0,1,0,0|1,0,1]=4 467 B10R1.25 CCC1CCC(C)NC1=O Amb24619256 [1,0,0,1,0,0|2,0,0]=4 468 B10R1.25 CC[C@@H]1CC[C@@H](C)NC1=O Amb28722655 [1,0,0,1,0,0|2,0,0]=4 469 B10R1.25 CC[C@@H]1CC[C@H](C)NC1=O Amb28722660 [1,0,0,1,0,0|2,0,0]=4 470 B10R1.25 CC[C@H]1CC[C@@H](C)NC1=O Amb32665080 [1,0,0,1,0,0|2,0,0]=4 471 B10R1.29 CCCC[C@H]1C=CC[C@@H]1O Amb28206852 [1,0,0,1,0,0|0,0,1]=3 472 B10R1.77 C=C1CCCCCC(O)C1 Amb28350370 [1,0,0,1,0,0|0,0,1]=3 473 B10R1.78 BrC1C=CCCCCCC1 Amb24638769 [1,0,0,1,0,0|1,0,1]=4 474 B10R1.78 OC1C=C=CCCCCC1 Amb27481436 [1,0,0,1,0,0|0,0,1]=3 475 B10R1.78 OC1C=CC=CCCCC1 Amb28050699 [1,0,0,1,0,0|0,0,1]=3 476 B10R1.78 O[C@H]1C=C=CCCCCC1 Amb28205997 [1,0,0,1,0,0|0,0,1]=3 477 B10R1.85 Br\C=C\C1CCCCCC1 Amb33135243 [1,0,0,1,0,0|2,0,0]=4 478 B10R1.85 O=CCC1CCCCCC1 Amb28315719 [1,0,0,1,0,0|1,0,1]=4 479 B10R1.96 C=CCC1CCC(CO)O1 Amb27775540 [1,0,0,1,0,0|1,0,1]=4 480 B10R1.96 CO[C@H]1CC[C@@H](CC=O)O1 Amb27778668 [1,0,0,1,0,0|1,0,1]=4 481 B10R1.100 C\C=C\C1(O)CC1CCBr Amb27252932 [1,0,0,1,0,0|1,0,1]=4 482 B10R1.100 C\C=C\[C@]1(O)C[C@H]1CCBr Amb27841522 [1,0,0,1,0,0|1,0,1]=4 483 B10R1.129 C=CC1OC1CCCCO Amb27589335 [1,0,0,1,0,0|1,0,1]=4 484 B10R1.129 C=C[C@@H]1O[C@H]1CCCCO Amb27197224 [1,0,0,1,0,0|1,0,1]=4 485 B10R1.129 CCCCCC1CC1C=O Amb26343852 [1,0,0,1,0,0|1,0,1]=4 486 B10R1.129 CCCCC[C@@H]1O[C@@H]1C=O Amb27640547 [1,0,0,1,0,0|0,0,1]=3 487 B10R1.130 CCCC1CC(C)OC1=O Amb4136406 [1,0,0,1,0,0|2,0,0]=4 488 B10R1.136 C=CCC(O)CC1OC1C Amb27757341 [1,0,0,1,0,0|1,0,1]=4 489 B10R1.137 C=CCC(N)CC1CCC1 Amb27489192 [1,0,0,1,0,0|1,0,1]=4 490 B10R1.138 C=CCC(O)CCC1CC1 Amb28078114 [1,0,0,1,0,0|0,0,1]=3 491 B10R1.138 O=CCC(O)CCC1CC1 Amb28384182 [1,0,0,1,0,0|0,0,1]=3 492 B10R1.197 COC1=CC=CC(O)CC1 Amb27220151 [1,0,0,1,0,0|1,0,1]=4 493 B10R1.245 C=C[C@@H]1[C@@H](C)CCC[C@H]1O Amb27428229 [1,0,0,1,0,0|0,0,1]=3 494 B10R1.245 CC1=C(C=O)C(C)CCC1 Amb27838015 [1,0,0,1,0,0|1,0,1]=4 495 B10R1.245 CC1CCCC(C)C1C=O Amb26322266 [1,0,0,1,0,0|1,0,1]=4 496 B10R1.245 CC1CCCC(C)N1C=O Amb4034556 [1,0,0,1,0,0|2,0,0]=4 497 B10R1.245 C[C@H]1CCC[C@@H](C)[C@@H]1C=O Amb26562808 [1,0,0,1,0,0|1,0,1]=4 498 B10R1.257 CCC1CCC(C)C1C=O Amb25835202 [1,0,0,1,0,0|1,0,1]=4 499 B10R1.277 CC1CCCC(C)C(=O)N1 Amb19335341 [1,0,0,1,0,0|2,0,0]=4 500 B10R1.277 C[C@H]1CCC[C@@H](C)C(=O)N1 Amb27860437 [1,0,0,1,0,0|2,0,0]=4 501 B10R1.377 C=C=CC1(O)CCCCC1 Amb17593516 [1,0,0,1,0,0|0,0,1]=3 502 B10R1.377 C=CCC1(N)CCCCC1 Amb24351599 [1,0,0,1,0,0|1,0,1]=4 503 B10R1.377 C=CCC1(O)CCCCC1 Amb4034571 [1,0,0,1,0,0|0,0,1]=3 504 B10R1.377 C=CCC1(O)CCCNC1 Amb28049683 [1,0,0,1,0,0|1,0,1]=4 505 B10R1.377 C=CCC1(O)CCCSC1 Amb35681059 [1,0,0,1,0,0|1,0,1]=4 506 B10R1.377 C=CCC1(O)CCNCC1 Amb1069476 [1,0,0,1,0,0|1,0,1]=4 507 B10R1.377 C=CCC1(O)CCNCC1 Amb30585242 [1,0,0,1,0,0|1,0,1]=4 508 B10R1.377 C=CCC1(O)CCOCC1 Amb25368137 [1,0,0,1,0,0|1,0,1]=4 509 B10R1.377 C=CCC1(O)CCSCC1 Amb35696368 [1,0,0,1,0,0|1,0,1]=4 510 B10R1.377 CC1(CC=O)CCCCC1 Amb18643651 [1,0,0,1,0,0|1,0,1]=4 511 B10R1.377 O=CCC1(O)CCCOC1 Amb27979900 [1,0,0,1,0,0|1,0,1]=4 512 B10R1.406 CCCCC1C(=O)CC1C Amb27802538 [1,0,0,1,0,0|1,0,1]=4 513 B10R1.406 CCCCC1C(=O)NC1C Amb27816027 [1,0,0,1,0,0|2,0,0]=4 514 B10R1.406 CCCC[C@@H]1C(=O)C[C@@H]1C Amb28142264 [1,0,0,1,0,0|1,0,1]=4 515 B10R1.527 C=CCC1(N)CCCC1C Amb35657736 [1,0,0,1,0,0|1,0,1]=4 516 B10R1.527 C=CCC1(O)CCCC1C Amb25112084 [1,0,0,1,0,0|0,0,1]=3 517 B10R1.527 C=CCC1(O)COCC1C Amb35608140 [1,0,0,1,0,0|1,0,1]=4 518 B10R1.527 C=CCC1(O)CSCC1C Amb27638209 [1,0,0,1,0,0|1,0,1]=4 519 B10R1.527 CC1COCC1(O)CC=O Amb29882770 [1,0,0,1,0,0|1,0,1]=4 520 B10R1.527 C\C=C\[C@@]1(O)CCC[C@@H]1Cl Amb27965380 [1,0,0,1,0,0|1,0,1]=4 521 B10R1.527 C\C=C\[C@]1(O)CCC[C@@H]1Cl Amb27444546 [1,0,0,1,0,0|1,0,1]=4 522 B10R1.4 CC1CCCC\C1=C/C=O Amb25951883 [1,0,0,1,0,0|1,0,0]=3 523 B10R1.4 CC\C=C1\CCCC[C@@H]1O Amb28321399 [1,0,0,1,0,0|1,0,1]=4 524 B10R1.4 CN1CCCC\C1=C\C=O Amb18643454 [1,0,0,1,0,0|2,0,0]=4 525 B10R1.4 C\C=C\C1CCCCC1O Amb25990050 [1,0,0,1,0,0|1,0,1]=4 526 B10R1.4 C\C=C\[C@@H]1CCCC[C@@H]1O Amb27853111 [1,0,0,1,0,0|1,0,1]=4 527 B10R1.4 C\C=C\[C@@H]1CCCC[C@H]1O Amb28293167 [1,0,0,1,0,0|1,0,1]=4 528 B10R1.4 O=CC[C@@H]1CCCC[C@H]1O Amb27841135 [1,0,0,1,0,0|0,0,2]=4 529 B10R1.4 O=CN[C@@H]1CCCC[C@H]1O Amb28256004 [1,0,0,1,0,0|1,0,1]=4 530 B10R1.4 O=COC1CCCCC1O Amb27780535 [1,0,0,1,0,0|1,0,1]=4 531 B10R1.4 O=CO[C@H]1CCCC[C@@H]1O Amb27452411 [1,0,0,1,0,0|1,0,1]=4 532 B10R1.16 CC1CCC(\C=C\C#N)O1 Amb27949832 [1,0,0,1,0,0|1,0,1]=4 533 B10R1.16 CC1CCC(\C=C\C=O)O1 Amb27823980 [1,0,0,1,0,0|0,0,0]=2 534 B10R1.16 CC1CCC(\C=C\CCl)O1 Amb27439490 [1,0,0,1,0,0|1,0,1]=4 535 B10R1.16 CC1CCC(\C=C\CN)O1 Amb27849374 [1,0,0,1,0,0|1,0,1]=4 536 B10R1.16 CCCCC1CCC(=O)O1 Amb8513275 [1,0,0,1,0,0|0,0,2]=4 537 B10R1.16 CCCCC1CNC(=O)O1 Amb27830443 [1,0,0,1,0,0|1,0,1]=4 538 B10R1.16 CCCCN1C=CC(=O)N1 Amb32794680 [1,0,0,1,0,0|2,0,0]=4 539 B10R1.16 CCCC[C@@H]1C=CC(=O)C1 Amb28381113 [1,0,0,1,0,0|1,0,0]=3 540 B10R1.16 CCCCc1ccc(C)o1 Amb4018006 [1,0,0,1,0,0|1,0,1]=4 541 B10R1.16 C[C@@H]1CCC(CCC=O)O1 Amb32730567 [1,0,0,1,0,0|0,0,2]=4 542 B10R1.16 C[C@@H]1CCC(\C=C\C=O)O1 Amb32736726 [1,0,0,1,0,0|0,0,0]=2 543 B10R1.16 C[C@@H]1CCC(\C=C\CN)O1 Amb32729966 [1,0,0,1,0,0|1,0,1]=4 544 B10R1.16 C[C@@H]1CCC(\C=C\CO)O1 Amb32729967 [1,0,0,1,0,0|0,0,2]=4 545 B10R1.16 O=C1C=C[C@H](CCCO)O1 Amb27171273 [1,0,0,1,0,0|1,0,0]=3 546 B10R1.16 O=C\C=C\C1CCC(=O)O1 Amb24524332 [1,0,0,1,0,0|1,0,1]=4 547 B10R1.17 BrC\C=C\C1CCCCO1 Amb29885300 [1,0,0,1,0,0|1,0,1]=4 548 B10R1.17 ClC\C=C\C1CCCCO1 Amb35637914 [1,0,0,1,0,0|1,0,1]=4 549 B10R1.17 N#C\C=C\C1CCCCO1 Amb35743433 [1,0,0,1,0,0|1,0,1]=4 550 B10R1.17 NC\C=C\C1CCCCO1 Amb35645494 [1,0,0,1,0,0|1,0,1]=4 551 B10R1.17 O=CCCC1CCCCO1 Amb27634719 [1,0,0,1,0,0|0,0,2]=4 552 B10R1.17 O=CCOC1CCCCO1 Amb18202407 [1,0,0,1,0,0|1,0,1]=4 553 B10R1.17 O=C\C=C\C1=CCCCC1 Amb18643092 [1,0,0,1,0,0|1,0,1]=4 554 B10R1.17 O=C\C=C\C1CCCCC1 Amb18643296 [1,0,0,1,0,0|1,0,0]=3 555 B10R1.17 O=C\C=C\C1CCCCO1 Amb33473942 [1,0,0,1,0,0|0,0,0]=2 556 B10R1.17 O=C\C=C\C1CCCOC1 Amb33474517 [1,0,0,1,0,0|2,0,0]=4 557 B10R1.17 O=C\C=C\C1CCCSC1 Amb33172303 [1,0,0,1,0,0|2,0,0]=4 558 B10R1.17 O=C\C=C\C1CCSCC1 Amb24587287 [1,0,0,1,0,0|2,0,0]=4 559 B10R1.17 O=C\C=C\C1SCCCS1 Amb24679198 [1,0,0,1,0,0|1,1,0]=4 560 B10R1.17 O=C\C=C\N1CCCCC1 Amb25941560 [1,0,0,1,0,0|2,0,0]=4 561 B10R1.17 OC\C=C\C1CCCCO1 Amb33080462 [1,0,0,1,0,0|0,0,2]=4 562 B10R1.30 C#CC1=CC(O)CCC1C Amb17593462 [1,0,0,1,0,0|1,0,1]=4 563 B10R1.30 C=CC1=C[C@@H](O)CC[C@H]1C Amb27979160 [1,0,0,1,0,0|1,0,0]=3 564 B10R1.30 C[C@@H]1CC[C@@H](O)CN1C=O Amb30010855 [1,0,0,1,0,0|1,0,1]=4 565 B10R1.30 O=C1C=CC(O)OC1CO Amb24480395 [1,0,0,1,0,0|2,0,0]=4 566 B10R1.30 O=C1C=CC(O)O[C@@H]1CO Amb25273077 [1,0,0,1,0,0|2,0,0]=4 567 B10R1.71 CN1C=CC(=O)CCCC1 Amb28049908 [1,0,0,1,0,0|2,0,0]=4 568 B10R1.71 O=C1C=CC(O)CCCC1 Amb27262895 [1,0,0,1,0,0|0,0,0]=2 569 B10R1.71 O=C1C=C[C@H](O)CCCC1 Amb27432484 [1,0,0,1,0,0|0,0,0]=2 570 B10R1.71 OC1C=CC(O)CCCC1 Amb27486393 [1,0,0,1,0,0|0,0,2]=4 571 B10R1.71 O[C@@H]1C=CC=C[C@H](O)CC1 Amb27833653 [1,0,0,1,0,0|2,0,0]=4 572 B10R1.71 O[C@H]1C=C[C@H](O)CCCC1 Amb27775475 [1,0,0,1,0,0|0,0,2]=4 573 B10R1.162 C=CC1=CC(O)CCCC1 Amb28050755 [1,0,0,1,0,0|1,0,0]=3 574 B10R1.162 CCC1CC(O)C=CCO1 Amb27191717 [1,0,0,1,0,0|0,0,2]=4 575 B10R1.162 N#CC1=CC(O)CCCC1 Amb27757513 [1,0,0,1,0,0|1,0,1]=4 576 B10R1.178 O=CNCC(O)C1CCC1 Amb27666352 [1,0,0,1,0,0|1,0,1]=4 577 B10R1.187 CC1C=CC(=O)C1CCO Amb27854690 [1,0,0,1,0,0|2,0,0]=4 578 B10R1.216 O=CCCC1(O)CCCC1 Amb27424913 [1,0,0,1,0,0|0,0,2]=4 579 B10R1.216 O=CNCC1(O)CCCC1 Amb27597834 [1,0,0,1,0,0|1,0,1]=4 580 B10R1.216 OC\C=C\C1(O)CCCC1 Amb28398823 [1,0,0,1,0,0|0,0,2]=4 581 B10R1.5 CCC1CCC\C1=C/CN Amb28383733 [1,0,0,1,0,0|1,0,1]=4 582 B10R1.5 CCC[C@@H]1SCC=C1C=O Amb28382595 [1,0,0,1,0,0|1,0,0]=3 583 B10R1.5 CCN1CCC\C1=C/C=O Amb27435814 [1,0,0,1,0,0|1,0,0]=3 584 B10R1.7 CC1CCCCCCC1=O Amb4020430 [1,0,0,1,0,0|0,0,2]=4 585 B10R1.7 CN1CCCNC=CC1=O Amb28050134 [1,0,0,1,0,0|2,0,0]=4 586 B10R1.7 O=C1C=CCCCCC1Cl Amb27471827 [1,0,0,1,0,0|1,0,0]=3 587 B10R1.20 CCC1=C(C=O)CCCC1 Amb28050009 [1,0,0,1,0,0|0,0,2]=4 588 B10R1.20 CCC1CCCCC1C=O Amb28069911 [1,0,0,1,0,0|0,0,2]=4 589 B10R1.20 COC1CCCC=C1C=O Amb24480532 [1,0,0,1,0,0|1,0,0]=3 590 B10R1.20 O=CC1=CCCC[C@H]1C=O Amb27229618 [1,0,0,1,0,0|1,0,1]=4 591 B10R1.161 C#CC1=CCCCCCC1 Amb27813275 [1,0,0,1,0,0|1,0,1]=4 592 B10R1.161 CC=C1CCCCCCC1 Amb22730433 [1,0,0,1,0,0|1,0,1]=4 593 B10R1.161 COC1=CCCCCCC1 Amb2721275 [1,0,0,1,0,0|2,0,0]=4 594 B10R1.161 N#CC1=CCCCCCC1 Amb27470756 [1,0,0,1,0,0|1,0,1]=4 595 B10R1.161 O=CC1=CCCCCCC1 Amb17621598 [1,0,0,1,0,0|0,0,0]=2 596 B10R1.161 O=CC1CCCCCCC1 Amb31307750 [1,0,0,1,0,0|0,0,2]=4 597 B10R1.161 O=CC1CCCCCCC1 Amb8390588 [1,0,0,1,0,0|0,0,2]=4 598 B10R1.161 O=CN1CCCCCCC1 Amb27150999 [1,0,0,1,0,0|1,0,1]=4 599 B10R1.161 OCC1=CCCCCCC1 Amb28185100 [1,0,0,1,0,0|0,0,2]=4 600 B10R1.177 O=COCCCCC1CC1 Amb8384805 [1,0,0,1,0,0|1,0,1]=4 601 B12R1.170 C=CCC1=NC(O)CCCCC1 Amb28350062 [0,1,0,1,0,0|1,0,1]=4 602 B12R1.170 C\C=C\C1=CC(O)CCCCC1 Amb28126992 [0,1,0,1,0,0|1,0,0]=3 603 B12R1.170 OC1CCCCCC(\C=C\Cl)C1 Amb27231837 [0,1,0,1,0,0|1,0,1]=4 604 B12R1.2277 CC1CCCC(O)(CNC=O)C1 Amb27606584 [0,1,0,1,0,0|1,0,1]=4 605 B12R1.18 C=C\C=C\C1CCCCCC1O Amb27164134 [0,1,0,1,0,0|1,0,0]=3 606 B12R1.29 CCCCC(N)c1ccc(C)o1 Amb18798878 [0,1,0,1,0,0|1,0,1]=4 607 B12R1.29 CC\C=C\C(O)C1C=CC(=O)O1 Amb27978068 [0,1,0,1,0,0|0,0,2]=4 608 B12R1.30 C=C\C=C\C(O)C1C=CCCC1 Amb27978258 [0,1,0,1,0,0|1,0,1]=4 609 B12R1.30 CC(\C=C\C=O)=C1CCCCC1 Amb27614515 [0,1,0,1,0,0|1,0,1]=4 610 B12R1.30 C\C=C\C[C@@H](O)C1CCCCC1 Amb27665269 [0,1,0,1,0,0|1,0,1]=4 611 B12R1.30 O=C\C=C\C(O)C1CCCCC1 Amb18647046 [0,1,0,1,0,0|0,0,0]=2 612 B12R1.30 OC\C=C\C(O)C1CCCCC1 Amb27587624 [0,1,0,1,0,0|0,0,2]=4 613 B12R1.374 C=C\C=C\C1OC(C)OCC1O Amb28249066 [0,1,0,1,0,0|2,0,0]=4 614 B12R1.374 CC1OCC(O)C(\C=C\C=O)O1 Amb27748596 [0,1,0,1,0,0|1,0,0]=3 615 B12R1.374 CCCCN1CC(O)CNC1=O Amb26489055 [0,1,0,1,0,0|1,0,1]=4 616 B12R1.374 CCCC[C@@H]1OC(O)C=CC1=O Amb27861413 [0,1,0,1,0,0|0,0,0]=2 617 B12R1.374 CCCC[C@@H]1O[C@H](O)C=CC1=O Amb27427645 [0,1,0,1,0,0|0,0,0]=2 618 B12R1.374 CCCC[C@H]1OC(O)C=CC1=O Amb27175988 [0,1,0,1,0,0|0,0,0]=2 619 B12R1.1778 CC1CCCCC1(O)CCC=O Amb28127912 [0,1,0,1,0,0|0,0,2]=4 620 B12R1.1778 CC1COCCC1(O)CCC=O Amb27256842 [0,1,0,1,0,0|0,0,2]=4 621 B12R1.46 CCC1CCC(O)CC1C(=O)O Amb32867808 [0,1,0,1,0,0|0,0,2]=4 622 B12R1.54 CC(=O)NCC(O)C1CCCC1 Amb27810072 [0,1,0,1,0,0|1,0,1]=4 623 B12R1.54 CC(=O)\C=C\C(C)C1CCCC1 Amb26428716 [0,1,0,1,0,0|1,0,0]=3 624 B12R1.54 CN(\C=C\C(=O)O)C1CCCC1 Amb27816710 [0,1,0,1,0,0|2,0,0]=4 625 B12R1.54 NC(=O)NCC(O)C1CCCC1 Amb27190649 [0,1,0,1,0,0|1,0,1]=4 626 B12R1.54 O=C(O)\C=C\C(=O)C1CCCC1 Amb29873238 [0,1,0,1,0,0|0,0,2]=4 627 B12R1.54 O=C(O)\C=C\S(=O)C1CCCC1 Amb28457944 [0,1,0,1,0,0|1,0,1]=4 628 B12R1.210 CC(=O)\C=C1/CCCCCC1C Amb35734060 [0,1,0,1,0,0|1,0,0]=3 629 B12R1.210 CC(C)=CC1CCCCCC1O Amb32945193 [0,1,0,1,0,0|1,0,1]=4 630 B12R1.210 CC(C)=C[C@@H]1CCCCC[C@H]1O Amb32950758 [0,1,0,1,0,0|1,0,1]=4 631 B12R1.210 CC1CCCCC\C1=C/C(=O)O Amb35721698 [0,1,0,1,0,0|1,0,0]=3 632 B12R1.210 NC(=O)NC1CCCCCC1O Amb27770817 [0,1,0,1,0,0|1,0,1]=4 633 B12R1.210 O=C(O)CC1CCCCCC1O Amb18198284 [0,1,0,1,0,0|0,0,2]=4 634 B12R1.210 O=C(O)\C=C1\CCCCCC1=O Amb29873240 [0,1,0,1,0,0|0,0,2]=4 635 B12R1.226 CC(=O)NCC1CCCC(C)O1 Amb35637305 [0,1,0,1,0,0|1,0,1]=4 636 B12R1.226 CC(=O)\C=C\C1CCCC(C)C1 Amb27770063 [0,1,0,1,0,0|1,0,0]=3 637 B12R1.226 CC1CCCC(CNC(=O)Cl)O1 Amb35648518 [0,1,0,1,0,0|1,0,1]=4 638 B12R1.226 CC1CCCC(CNC(N)=O)O1 Amb35648803 [0,1,0,1,0,0|1,0,1]=4 639 B12R1.226 CC1CCCC(\C=C\C(=O)O)C1 Amb27770062 [0,1,0,1,0,0|1,0,0]=3 640 B12R1.226 CC1CCCN(\C=C\C(=O)O)C1 Amb27162679 [0,1,0,1,0,0|2,0,0]=4 641 B12R1.226 C[C@H]1CC(\C=C\C(=O)O)CCO1 Amb27666882 [0,1,0,1,0,0|2,0,0]=4 642 B12R1.804 C=CCCC1C(=O)C=CC1(C)O Amb27454659 [0,1,0,1,0,0|0,0,2]=4 643 B12R1.804 CCCCC1C(=O)C=CC1(C)O Amb27178041 [0,1,0,1,0,0|0,0,0]=2 644 B12R1.1009 CC1CCCC(O)\C1=C/C(=O)O Amb28118936 [0,1,0,1,0,0|0,0,0]=2 645 B12R1.1009 CC1CCCC(O)\C1=C\C(=O)O Amb27788509 [0,1,0,1,0,0|0,0,0]=2 646 B12R1.1009 O=C(O)\C=C1\C(=O)CCCC1O Amb27232989 [0,1,0,1,0,0|1,0,1]=4 647 B12R1.1343 CC(=O)\C=C\C1CCCCCC1 Amb27968526 [0,1,0,1,0,0|1,0,0]=3 648 B12R1.1343 CC(=O)\C=C\N1CCCCCC1 Amb22524689 [0,1,0,1,0,0|2,0,0]=4 649 B12R1.1343 O=C(O)\C=C\C1=CCCCCC1 Amb28052137 [0,1,0,1,0,0|1,0,1]=4 650 B12R1.1343 O=C(O)\C=C\C1CCCCCC1 Amb24715822 [0,1,0,1,0,0|1,0,0]=3 651 B12R1.1343 O=C(O)\C=C\N1CCCCCC1 Amb27272954 [0,1,0,1,0,0|2,0,0]=4 652 B12R1.1343 O=[N+]([O-])\C=C\C1CCCCCC1 Amb33449464 [0,1,0,1,0,0|2,0,0]=4 653 B12R1.3110 CC(=O)CCC1(O)CCCCC1 Amb27495367 [0,1,0,1,0,0|0,0,2]=4 654 B12R1.3110 CC(=O)\C=C\C1(C)CCCCC1 Amb33417933 [0,1,0,1,0,0|1,0,0]=3 655 B12R1.3110 CC(=O)\C=C\C1(C)CCOCC1 Amb33415155 [0,1,0,1,0,0|2,0,0]=4 656 B12R1.3110 CC1(\C=C\C(=O)O)CCCCC1 Amb33358910 [0,1,0,1,0,0|1,0,0]=3 657 B12R1.3110 CC1(\C=C\C(=O)O)CCOCC1 Amb27983653 [0,1,0,1,0,0|2,0,0]=4 658 B12R1.3110 CC1(\C=C\C(N)=O)CCCCC1 Amb24402966 [0,1,0,1,0,0|1,0,0]=3 659 B12R1.3110 CC1(\C=C\[N+](=O)[O-])CCCCC1 Amb27191679 [0,1,0,1,0,0|2,0,0]=4 660 B12R1.3110 O=C(O)C#CC1(O)CCCCC1 Amb1085906 [0,1,0,1,0,0|0,0,2]=4 661 B12R1.71 CCC1CCC(\C=C\C=O)CC1 Amb33199813 [0,1,0,1,0,0|1,0,0]=3 662 B12R1.2217 COC(=O)C[C@@H]1C(=O)C=C[C@H]1O Amb28285844 [0,1,0,1,0,0|1,0,1]=4 663 B12R1.7 CCCCCCC1CCC(=O)O1 Amb569753 [0,1,0,1,0,0|0,0,2]=4 664 B12R1.7 CCCCNCc1ccc(C)o1 Amb19890503 [0,1,0,1,0,0|1,0,1]=4 665 B12R1.7 CCCCNCc1ccc(C)o1 Amb2592338 [0,1,0,1,0,0|1,0,1]=4 666 B12R1.52 OC1CCCCCCC1\C=C\Cl Amb28320770 [0,1,0,1,0,0|1,0,1]=4 667 B12R1.112 CC\C=C1/CCC(C)C=C1C=O Amb27259194 [0,1,0,1,0,0|1,0,1]=4 668 B12R1.215 O[C@H]1C=C=CCCCCCCC1 Amb27665486 [0,1,0,1,0,0|1,0,1]=4 669 B12R1.329 O=C\C=C\C1CCCCCCC1 Amb28315294 [0,1,0,1,0,0|1,0,0]=3 670 B12R1.567 CC\C=C\C[C@@H]1C(=O)C=C[C@H]1C Amb27192089 [0,1,0,1,0,0|1,0,1]=4 671 B12R1.1785 O=CNCC1(O)CCCCCC1 Amb27616935 [0,1,0,1,0,0|1,0,1]=4 672 B12R1.28 CCCCCC1CCCC(=O)O1 Amb4493671 [0,1,0,1,0,0|0,0,2]=4 673 B12R1.35 CCCCCC(N)c1ccco1 Amb18798871 [0,1,0,1,0,0|1,0,1]=4 674 B12R1.35 CCCCCC(N)c1ccco1 Amb35745646 [0,1,0,1,0,0|1,0,1]=4 675 B12R1.35 CCCCCC(N)c1cccs1 Amb35746820 [0,1,0,1,0,0|1,1,0]=4 676 B12R1.35 CCCCCC(N)c1cccs1 Amb7786626 [0,1,0,1,0,0|1,1,0]=4 677 B12R1.35 CCCCCC(N)c1ccsc1 Amb19068543 [0,1,0,1,0,0|1,1,0]=4 678 B12R1.455 CCCCOc1ccc(C=O)o1 Amb33483266 [0,1,0,1,0,0|1,0,1]=4 679 B12R1.455 CCCOCc1ccc(C=O)o1 Amb2795941 [0,1,0,1,0,0|1,0,1]=4 680 B12R1.1631 CC1CCCC(C)C1=NNC=O Amb27416740 [0,1,0,1,0,0|2,0,0]=4 681 B12R1.1631 CCCCC1C(=O)C=CCC1C Amb27177503 [0,1,0,1,0,0|1,0,0]=3 682 B12R1.1631 CCCCC1C(=O)C=CC[C@@H]1C Amb28322033 [0,1,0,1,0,0|1,0,0]=3 683 B12R1.1631 CCCCC1C(=O)C=CC[C@H]1C Amb27175976 [0,1,0,1,0,0|1,0,0]=3 684 B12R1.1997 O=CNCCC1(O)CCCCC1 Amb35704714 [0,1,0,1,0,0|0,0,2]=4 685 B12R1.1997 OCC\C=C\C1(O)CCCCC1 Amb27653207 [0,1,0,1,0,0|0,0,2]=4 686 B12R1.57 CC(C)[C@@H]1CC[C@@H](C)C=C1C=O Amb27489045 [0,1,0,1,0,0|1,0,0]=3 687 B12R1.489 CC(C)[C@H]1CC[C@@H](C)\C1=C/C=O Amb25915059 [0,1,0,1,0,0|1,0,0]=3 688 B12R1.489 CC1CCC(C(C)C)\C1=C\C=O Amb27256400 [0,1,0,1,0,0|1,0,0]=3 689 B12R1.887 CC1(C)CCCC(\C=C\C=O)C1 Amb32724837 [0,1,0,1,0,0|1,0,0]=3 690 B12R1.1236 CC(C)[C@@H]1CC[C@@H](C)C=CC1=O Amb24470345 [0,1,0,1,0,0|1,0,0]=3 691 B12R1.25 CCCCC1CC=CC(=O)C1C Amb28324346 [0,1,0,1,0,0|2,0,0]=4 692 B12R1.2279 C=CC1(\C=C\C=O)CCCCC1 Amb24668904 [0,1,0,1,0,0|1,0,0]=3 693 B12R1.2279 COC1(\C=C\CO)CCCCC1 Amb27651785 [0,1,0,1,0,0|0,0,2]=4 694 B12R1.1028 C[C@@H]1CCCCCC(=O)C(=O)C1 Amb28202301 [0,1,0,1,0,0|1,0,1]=4 695 B12R1.1624 CCCCC1C(=O)O[C@@H](C)[C@H]1O Amb27626881 [0,1,0,1,0,0|1,0,1]=4 696 B12R1.1624 CCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O Amb27451092 [0,1,0,1,0,0|1,0,1]=4 697 B12R1.1624 CCCC[C@@H]1C(=O)O[C@H](C)[C@@H]1O Amb27451993 [0,1,0,1,0,0|1,0,1]=4 698 B12R1.1624 CCCC[C@H]1C(=O)O[C@@H](C)[C@H]1O Amb27428235 [0,1,0,1,0,0|1,0,1]=4 699 B12R1.17 CC1CCCC(C(=O)\C=C\Cl)C1 Amb29880208 [0,1,0,1,0,0|2,0,0]=4 700 B12R1.1123 CCCC1CC(C)C(=O)NC1=O Amb705362 [0,1,0,1,0,0|2,0,0]=4 701 B12R1.1564 C\C=C\C(=O)C1CCCCCC1 Amb27784027 [0,1,0,1,0,0|2,0,0]=4 702 B12R1.1564 O=C(\C=C\Cl)C1CCCCCC1 Amb29880240 [0,1,0,1,0,0|2,0,0]=4 703 B12R1.1595 CC1(C(=O)\C=C\Cl)CCCCC1 Amb29880231 [0,1,0,1,0,0|2,0,0]=4 704 B12R1.1595 C\C(=C/C=O)C1(O)CCCCC1 Amb18647047 [0,1,0,1,0,0|0,0,0]=2 705 B12R1.1595 C\C=C\C(=O)C1(O)CCCCC1 Amb22546807 [0,1,0,1,0,0|1,0,0]=3 706 B12R1.1595 C\C=C\C(C)C1(O)CCCCC1 Amb25983882 [0,1,0,1,0,0|1,0,1]=4 707 B12R2.124 O=C1OC2CCC1CCC2O Amb27603946 [0,0,0,2,0,0|1,0,1]=4 708 B12R2.707 O[C@@H]1[C@@H]2C=CC[C@H]1CCCC2 Amb27213894 [0,0,0,2,0,0|1,0,1]=4 709 B12R2.707 O[C@H]1[C@@H]2CC=C[C@H]1CCCC2 Amb27197934 [0,0,0,2,0,0|1,0,1]=4 710 B12R2.1041 Nc1cc2c(o1)CCCCC2 Amb18201638 [0,0,0,2,0,0|1,0,1]=4 711 B12R2.1041 O=C1C=C2CCCCCC2C1 Amb26053092 [0,0,0,2,0,0|1,0,0]=3 712 B12R2.1041 O=C1C=C2CCCCCC2O1 Amb27848525 [0,0,0,2,0,0|0,0,0]=2 713 B12R2.1041 OC1CC2=CCCCCC2C1 Amb27197097 [0,0,0,2,0,0|1,0,1]=4 714 B12R2.7 O[C@@H]1C=CCCC12CCCC2 Amb26893242 [0,0,0,2,0,0|1,0,1]=4 715 B12R2.7 O[C@H]1C=CCCC12CCCC2 Amb27471884 [0,0,0,2,0,0|1,0,1]=4 716 B12R2.24 OC1C=C2C=CCCC2CC1 Amb28069411 [0,0,0,2,0,0|1,0,0]=3 717 B12R2.24 OC1C=C2CCCCC2CC1 Amb28067462 [0,0,0,2,0,0|1,0,1]=4 718 B12R2.24 O[C@@H]1C=C2C=CCC[C@@H]2CC1 Amb27853691 [0,0,0,2,0,0|1,0,0]=3 719 B12R2.24 O[C@@H]1C=C[C@H]2CCCC[C@@H]2C1 Amb28321550 [0,0,0,2,0,0|1,0,1]=4 720 B12R2.24 O[C@H]1C=C2CCCC[C@@H]2CC1 Amb27858028 [0,0,0,2,0,0|1,0,1]=4 721 B12R2.1081 OC1C=COC2CCCCC12 Amb28249052 [0,0,0,2,0,0|2,0,0]=4 722 B12R2.1081 O[C@@H]1C=CC[C@H]2CCCC[C@H]12 Amb27198135 [0,0,0,2,0,0|1,0,1]=4 723 B12R2.1081 O[C@@H]1CCC[C@H]2CCCC=C12 Amb27969072 [0,0,0,2,0,0|1,0,1]=4 724 B12R2.1081 O[C@H]1CCC[C@H]2CCCC=C12 Amb27219825 [0,0,0,2,0,0|1,0,1]=4 725 B12R2.2336 O=C\C=C\C1CC2CCC1C2 Amb33225592 [0,0,0,2,0,0|1,0,0]=3 726 B12R2.2336 O=C\C=C\C1CC2CCC1O2 Amb32874812 [0,0,0,2,0,0|2,0,0]=4 727 B12R2.203 C[C@@H]1CCC[C@H]2C=CC(=O)[C@H]21 Amb28321997 [0,0,0,2,0,0|1,0,0]=3 728 B12R2.203 C[C@@H]1OCC[C@H]2C=CC(=O)[C@H]21 Amb27262860 [0,0,0,2,0,0|2,0,0]=4 729 B12R2.203 O=C1C=CC2CCCC(O)C12 Amb27948558 [0,0,0,2,0,0|2,0,0]=4 730 B12R2.203 O=C1C=C[C@@H]2CCC[C@H](O)[C@H]12 Amb27262887 [0,0,0,2,0,0|2,0,0]=4 731 B12R2.212 C[C@H]1C[C@@H]2C=CC(=O)[C@H](C1)C2 Amb28052439 [0,0,0,2,0,0|1,0,0]=3 732 B12R2.270 O=C\C=C\C1CCC2CC2C1 Amb35600638 [0,0,0,2,0,0|1,0,0]=3 733 B12R2.6 Brc1ccc(C2CCCC2)o1 Amb13884510 [0,0,0,2,0,0|1,0,1]=4 734 B12R2.6 O=C1NCC(C2CCCC2)O1 Amb25046805 [0,0,0,2,0,0|1,0,1]=4 735 B12R2.202 O=C1CC2CCCC(O)C2O1 Amb27870881 [0,0,0,2,0,0|1,0,1]=4 736 B12R2.202 O=C1C[C@@H]2CCC[C@@H](O)[C@H]2O1 Amb27184180 [0,0,0,2,0,0|1,0,1]=4 737 B12R2.202 O=C1C[C@@H]2CCC[C@H](O)[C@H]2O1 Amb27623892 [0,0,0,2,0,0|1,0,1]=4 738 B12R2.376 CN1CCC2CCC(C=O)=C21 Amb8392172 [0,0,0,2,0,0|2,0,0]=4 739 B12R2.586 O[C@H]1CC=C2CCCCC[C@@H]21 Amb27457754 [0,0,0,2,0,0|1,0,1]=4 740 B12R2.2298 O=C1NCC(CCC2CC2)O1 Amb27472173 [0,0,0,2,0,0|1,0,1]=4 741 B12R2.2301 O=C1CCC(CC2CCC2)O1 Amb33036268 [0,0,0,2,0,0|0,0,2]=4 742 B12R2.2918 O=C1C=CC2(CCCCC2)C1 Amb28202155 [0,0,0,2,0,0|1,0,0]=3 743 B12R2.2918 O=C1C=CC2(CCOCC2)C1 Amb35749436 [0,0,0,2,0,0|2,0,0]=4 744 B12R2.2918 O=C1CCC2(CCCCC2)O1 Amb574708 [0,0,0,2,0,0|0,0,2]=4 745 B12R2.2918 O=C1COC2(CCCCC2)O1 Amb9804079 [0,0,0,2,0,0|1,0,1]=4 746 B12R2.2918 O=C1NCC2(CCCCC2)O1 Amb17506327 [0,0,0,2,0,0|1,0,1]=4 747 B12R2.221 C=C1C=C[C@@H](O)[C@@H]2CCC[C@@H]12 Amb24708133 [0,0,0,2,0,0|1,0,0]=3 748 B12R2.221 CC1=COC(O)C2CCCC12 Amb27661113 [0,0,0,2,0,0|2,0,0]=4 749 B12R2.221 CC1=COC(O)[C@H]2CCC[C@@H]12 Amb27208166 [0,0,0,2,0,0|2,0,0]=4 750 B12R2.2034 O=C1C=CC(=O)C12CCCC2 Amb28253945 [0,0,0,2,0,0|0,0,2]=4 751 B12R2.2263 O=CC1=C[C@@H](O)[C@@H]2CC=C[C@H]12 Amb25968403 [0,0,0,2,0,0|0,0,2]=4 752 B12R2.132 C[C@H]1CC[C@@H]2CCC(=O)C=C12 Amb28052372 [0,0,0,2,0,0|1,0,0]=3 753 B12R2.132 O=C1CC[C@@H]2CC[C@@H](O)CN12 Amb27650393 [0,0,0,2,0,0|1,0,1]=4 754 B12R2.550 OC1C=CC=CCC2CC2C1 Amb27605288 [0,0,0,2,0,0|1,0,0]=3 755 B12R2.2474 O[C@@H]1C=CCCCC[C@H]2C[C@@H]12 Amb28345000 [0,0,0,2,0,0|1,0,1]=4 756 B12R2.219 O=C1C=CC2(O)CCCOC12 Amb28054449 [0,0,0,2,0,0|1,0,0]=3 757 B12R2.219 O=C1C=C[C@@]2(O)CCCO[C@@H]12 Amb27432676 [0,0,0,2,0,0|1,0,0]=3 758 B12R2.1154 O=C1C2CCCC1CC(O)C2 Amb26492786 [0,0,0,2,0,0|0,0,2]=4 759 B12R2.1225 CC1CC2C(=O)C=CC(=O)C12 Amb27256465 [0,0,0,2,0,0|0,0,2]=4 760 B12R2.3934 O=C1NCC(O)CC12CCC2 Amb31188165 [0,0,0,2,0,0|1,0,1]=4 761 B12R2.4233 N#CC1C2C(=O)C=CC(O)C12 Amb25763285 [0,0,0,2,0,0|1,0,1]=4 762 B12R2.2199 CCC1C(=O)C2CC(O)CC12 Amb27434203 [0,0,0,2,0,0|0,0,2]=4 763 B12R2.2199 CC[C@H]1C(=O)[C@@H]2C[C@H](O)C[C@H]12 Amb27854306 [0,0,0,2,0,0|0,0,2]=4 764 B12R2.2045 CCC12CCC(C=CC1=O)C2 Amb28381258 [0,0,0,2,0,0|1,0,0]=3 765 B12R2.2045 CC[C@]12CC[C@H](C=CC1=O)C2 Amb27427859 [0,0,0,2,0,0|1,0,0]=3 766 B12R2.2045 COC12CCC(C=CC1=O)C2 Amb28124522 [0,0,0,2,0,0|2,0,0]=4 767 B12R2.591 C[C@H]1CC[C@H]2C1=CC(=O)[C@@H]2C Amb27432700 [0,0,0,2,0,0|1,0,0]=3 768 B12R2.613 CC1CCC2C(O)CC2C1=O Amb28285941 [0,0,0,2,0,0|0,0,2]=4 769 B12R2.2933 CC12CCCC1(O)OCC2=O Amb28386586 [0,0,0,2,0,0|1,0,1]=4