0 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [0,0,0,0,0,0|1,0,2]=3 2 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [0,0,0,0,0,0|1,0,2]=3 3 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,0,0,0,0,0|2,0,1]=3 4 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,0,0,0,0,0|1,0,0]=1 5 B7R0.5 CCCC(C)C(O)=O M10209692P [0,0,0,0,0,0|0,0,0]=0 6 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,0,0,0,0,0|0,0,2]=2 7 B7R0.5 O=C(O)C(Cl)COC M10045189P [0,0,0,0,0,0|2,0,0]=2 8 B7R0.5 O=C(O)C(F)CCN M10193859P [0,0,0,0,0,0|2,0,0]=2 9 B7R0.5 O=C(O)C(N)CCN M10024859P [0,0,0,0,0,0|2,0,0]=2 10 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,0,0,0,0,0|2,0,1]=3 11 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [0,0,0,0,0,0|2,0,0]=2 12 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [0,0,0,0,0,0|2,0,0]=2 13 B7R0.5 O=C(O)[C@H](N)COC M10505436P [0,0,0,0,0,0|2,0,0]=2 14 B7R0.5 O=C(O)[C@H](N)COC M10505437P [0,0,0,0,0,0|2,0,0]=2 15 B7R0.5 O=C(OCC)C(N)=O M10016280P [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 C=CC(O)CCC M10066392P [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CC(OC)CCO M10044895P [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CC(OC)COC M10110559P [1,0,0,0,0,0|3,0,0]=4 19 B6R0.1 CCCC(C)C=O M10004549P [1,0,0,0,0,0|0,0,0]=1 20 B6R0.1 CCC[C@H](N)CO M10176483P [1,0,0,0,0,0|1,0,1]=3 21 B6R0.1 NCC(C)CCN M10137967P [1,0,0,0,0,0|2,0,1]=4 22 B6R0.3 C=C(CBr)C(O)=O M10448395P [1,0,0,0,0,0|1,0,2]=4 23 B6R0.3 CC(C(S)CC)=O M10426560P [1,0,0,0,0,0|2,0,0]=3 24 B6R0.3 CC(NC)C(O)=O M10015418P [1,0,0,0,0,0|1,0,0]=2 25 B6R0.3 CC(OC)C(O)=O M10062023P [1,0,0,0,0,0|1,0,0]=2 26 B6R0.3 CCC(B(O)O)C M10538835P [1,0,0,0,0,0|1,0,1]=3 27 B6R0.3 CCC(Br)C(Br)=O M10192304P [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 CCC(C(O)=O)=C M10055842P [1,0,0,0,0,0|0,0,2]=3 29 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [1,0,0,0,0,0|1,0,0]=2 30 B6R0.3 C\C(C(O)=O)=C\C M10014266P [1,0,0,0,0,0|0,0,2]=3 31 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [1,0,0,0,0,0|2,0,0]=3 32 B6R0.3 N[C@H](CS)C(O)=O M10832565P [1,0,0,0,0,0|2,0,0]=3 33 B6R0.3 O=C(Cl)C(Br)CBr M10157298P [1,0,0,0,0,0|3,0,0]=4 34 B6R0.3 O=C(O)C(N)CS M10631134P [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 O=C(O)C(O)CCl M10035208P [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [1,0,0,0,0,0|2,0,0]=3 37 B6R0.4 C#CCCC(O)=O M10083651P [1,0,0,0,0,0|0,0,2]=3 38 B6R0.4 C=CCCC(Cl)=O M10240332P [1,0,0,0,0,0|1,0,2]=4 39 B6R0.4 CC(CCC=C)=O M10003621P [1,0,0,0,0,0|1,0,2]=4 40 B6R0.4 CC(CCCBr)=O M10058337P [1,0,0,0,0,0|2,0,0]=3 41 B6R0.4 CC(NCCO)=O M10005418P [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 CC(O)CCCO M10016886P [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CC(OCCO)=O M10013697P [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 CC\C=C\C(O)=O M10016889P [1,0,0,0,0,0|0,0,2]=3 45 B6R0.4 CC\C=C\C([O-])=O M12008293P [1,0,0,0,0,0|0,0,3]=4 46 B6R0.4 O=C(Cl)CCCBr M10023246P [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 O=C(Cl)OCCCl M10016902P [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 O=C(N)NCCO M10039744P [1,0,0,0,0,0|3,0,0]=4 49 B6R0.4 O=C(O)CCC#N M10140304P [1,0,0,0,0,0|1,0,1]=3 50 B6R0.4 O=C(O)CCCCl M10016891P [1,0,0,0,0,0|1,0,0]=2 51 B6R0.4 O=C(O)CCOC M10045190P [1,0,0,0,0,0|1,0,0]=2 52 B6R0.4 O=C(O)CCSC M10017612P [1,0,0,0,0,0|1,0,0]=2 53 B6R0.4 O=C(O)COCC M10016894P [1,0,0,0,0,0|1,0,0]=2 54 B6R0.4 O=C(O)\C=C\CBr M10127900P [1,0,0,0,0,0|1,0,2]=4 55 B6R0.4 O=C([O-])CNCO M10437440P [1,0,0,0,0,0|2,0,1]=4 56 B6R0.4 O=[Sn](CCCC)O M10042008P [1,0,0,0,0,0|1,0,0]=2 57 B6R0.4 S=C(N)NCCC M10023251P [1,0,0,0,0,0|2,1,0]=4 58 B8R0.2 CCC(C)C(C([O-])=O)=O M10422004P [0,1,0,0,0,0|1,0,2]=4 59 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,1,0,0,0,0|1,0,0]=2 60 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [0,1,0,0,0,0|2,0,0]=3 61 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO M10954945P [0,1,0,0,0,0|2,0,1]=4 62 B8R0.3 CCCC(Br)C(OC)=O M10159141P [0,1,0,0,0,0|1,0,0]=2 63 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [0,1,0,0,0,0|1,0,0]=2 64 B8R0.3 O=C(OC)C(Br)CCBr M10437848P [0,1,0,0,0,0|2,0,0]=3 65 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,1,0,0,0,0|1,0,0]=2 66 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,1,0,0,0,0|1,0,0]=2 67 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,1,0,0,0,0|1,0,0]=2 68 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,1,0,0,0,0|1,0,0]=2 69 B8R0.8 O=C([O-])C(O)CCSC M10066845P [0,1,0,0,0,0|1,0,1]=3 70 B8R0.12 C=CC[C@@](C)(N)C(O)=O M10630880P [0,1,0,0,0,0|0,0,2]=3 71 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [0,1,0,0,0,0|1,0,2]=4 72 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,1,0,0,0,0|2,0,1]=4 73 B8R0.23 CC(C)CC(C([O-])=O)=O M10616782P [0,1,0,0,0,0|1,0,2]=4 74 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [0,1,0,0,0,0|1,0,0]=2 75 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [0,1,0,0,0,0|1,0,0]=2 76 B8R0.23 O=C(O)C(S)CC(O)=O M10000758P [0,1,0,0,0,0|2,0,1]=4 77 B8R0.23 O=C(O)[C@@H](N)CS(C)=O M10096739P [0,1,0,0,0,0|2,0,0]=3 78 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [0,1,0,0,0,0|2,0,1]=4 79 B8R1.5 NC1C(C)CCCC1 M10100073P [0,0,0,1,0,0|2,0,1]=4 80 B8R1.5 O=C1C(Br)COCC1 M10633741P [0,0,0,1,0,0|3,0,0]=4 81 B8R1.5 O=C1C(C)CCCC1 M10014758P [0,0,0,1,0,0|1,0,0]=2 82 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [0,0,0,1,0,0|2,0,0]=3 83 B8R1.5 O=C1C(N)CCCC1 M10098058P [0,0,0,1,0,0|2,0,0]=3 84 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 M10123131P [0,0,0,1,0,0|2,0,1]=4 85 B8R1.5 O[C@@H]1[C@@H](O)CCCC1 M10297347P [0,0,0,1,0,0|2,0,1]=4 86 B8R1.5 O[C@H]1[C@@H](N)CCCC1 M10821370P [0,0,0,1,0,0|2,0,1]=4 87 B8R1.5 O[C@H]1[C@H](N)CCCC1 M10123132P [0,0,0,1,0,0|2,0,1]=4 88 B8R1.5 O[C@H]1[C@H](O)CCCC1 M10031116P [0,0,0,1,0,0|2,0,1]=4 89 B8R1.7 CC(C1SCCN1)=O M10425066P [0,0,0,1,0,0|3,0,0]=4 90 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,0,0,1,0,0|2,0,0]=3 91 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,0,0,1,0,0|2,0,0]=3 92 B8R1.7 O=C(C1=COCC1)O M10633740P [0,0,0,1,0,0|1,0,2]=4 93 B8R1.7 O=C(C1CNCC1)O M10088532P [0,0,0,1,0,0|1,0,0]=2 94 B8R1.7 O=C(C1CNCC1)O M10307067P [0,0,0,1,0,0|1,0,0]=2 95 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [0,0,0,1,0,0|1,0,0]=2 96 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [0,0,0,1,0,0|1,0,2]=4 97 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [0,0,0,1,0,0|2,0,0]=3 98 B8R1.7 O=C([C@H]1COCC1)O M10421829P [0,0,0,1,0,0|1,0,0]=2 99 B8R1.23 CC(N1CC(N)C1)=O M10103229P [0,0,0,1,0,0|3,0,0]=4 100 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,0,0,1,0,0|0,0,0]=1 101 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,0,0,1,0,0|1,0,0]=2 102 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,0,0,1,0,0|2,0,1]=4 103 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,0,0,1,0,0|1,0,0]=2 104 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,0,0,1,0,0|1,0,0]=2 105 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,0,0,1,0,0|1,0,0]=2 106 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,0,0,1,0,0|1,0,0]=2 107 B8R1.54 O=C(O)C(C1CC1)=O M10127074P [0,0,0,1,0,0|1,0,1]=3 108 B8R1.78 CC(C1(C)COC1)=O M11140046P [0,0,0,1,0,0|2,0,0]=3 109 B8R1.78 O=C(C1(N)CCC1)O M10174204P [0,0,0,1,0,0|1,0,0]=2 110 B8R1.78 O=C(C1(N)CCC1)O M10633940P [0,0,0,1,0,0|1,0,0]=2 111 B8R0.5 CC(OC(C)=O)COC M10497504P [0,0,0,0,0,1|2,0,0]=3 112 B5R0.1 C=C(OCC)C M10023218P [2,0,0,0,0,0|1,0,1]=4 113 B5R0.1 CC(C)CCI M10013642P [2,0,0,0,0,0|1,0,1]=4 114 B5R0.1 CC(CCCl)=O M10089400P [2,0,0,0,0,0|1,0,1]=4 115 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|1,0,1]=4 116 B5R0.1 CC(N)CCC M10393249P [2,0,0,0,0,0|1,0,0]=3 117 B5R0.1 CC(N)CCO M10048445P [2,0,0,0,0,0|2,0,0]=4 118 B5R0.1 CSCS(C)=O M10220911P [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 C[C@@H](N)CCO M10335804P [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 C[C@@H](O)CC#N M10720686P [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 C[C@@H](O)COC M10067779P [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 C[C@H](N)CCO M10335803P [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 C[C@H](O)CC#N M10717808P [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 C[C@H](O)COC M10194416P [2,0,0,0,0,0|1,0,0]=3 125 B5R0.1 O=C(O)CCF M10011311P [2,0,0,0,0,0|1,0,0]=3 126 B5R0.1 O=C(O)CCO M10012525P [2,0,0,0,0,0|1,0,0]=3 127 B5R0.1 O=C([O-])CNC M10061947P [2,0,0,0,0,0|1,0,1]=4 128 B5R0.2 C=CCCCCl M10023281P [2,0,0,0,0,0|2,0,0]=4 129 B5R0.2 C=CCOCC M10014106P [2,0,0,0,0,0|2,0,0]=4 130 B5R0.2 CCCN=C=O M10003745P [2,0,0,0,0,0|1,0,1]=4 131 B5R0.2 CCCOC=C M10020114P [2,0,0,0,0,0|2,0,0]=4 132 B5R0.2 CCSCCO M10003744P [2,0,0,0,0,0|1,0,1]=4 133 B5R0.2 Cl[Mg]CCCC M10018540P [2,0,0,0,0,0|2,0,0]=4 134 B5R0.2 OCCCCBr M10196369P [2,0,0,0,0,0|1,0,1]=4 135 B5R0.2 OCCCCBr M10219049P [2,0,0,0,0,0|1,0,1]=4 136 B5R0.2 OCCCCCl M10030203P [2,0,0,0,0,0|1,0,1]=4 137 B5R0.3 C=CC(O)CC M10016219P [2,0,0,0,0,0|2,0,0]=4 138 B5R0.3 CCC(C)CBr M10114990P [2,0,0,0,0,0|1,0,1]=4 139 B5R0.3 CCC(C)CS M10037434P [2,0,0,0,0,0|0,1,1]=4 140 B5R0.3 CCC(C=O)=C M10023101P [2,0,0,0,0,0|0,0,2]=4 141 B5R0.3 CCC(N)CO M10120213P [2,0,0,0,0,0|1,0,1]=4 142 B5R0.3 CCC([Mg]Br)C M10023104P [2,0,0,0,0,0|2,0,0]=4 143 B5R0.3 CCC([Mg]Cl)C M12278734P [2,0,0,0,0,0|2,0,0]=4 144 B5R0.5 CC(C)C([O-])=O M10209916P [2,0,0,0,0,0|0,0,1]=3 145 B5R0.5 CC(F)C(O)=O M10083620P [2,0,0,0,0,0|1,0,0]=3 146 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [2,0,0,0,0,0|2,0,0]=4 147 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [2,0,0,0,0,0|1,0,0]=3 148 B5R0.5 C[C@@H](O)C(O)=O M10114112P [2,0,0,0,0,0|1,0,0]=3 149 B5R0.5 C[C@H](Br)C(O)=O M10217830P [2,0,0,0,0,0|1,0,0]=3 150 B5R0.5 O=C(O)C(Br)Cl M10077985P [2,0,0,0,0,0|2,0,0]=4 151 B5R0.5 OC(C)C([O-])=O M10140216P [2,0,0,0,0,0|1,0,1]=4 152 B5R0.5 OC(C)C([O-])=O M10189588P [2,0,0,0,0,0|1,0,1]=4 153 B5R0.5 [O-]C(C)C([O-])=O M10249277P [2,0,0,0,0,0|1,0,1]=4 154 B7R0.2 CC(N)CC(C)CC M10003248P [1,1,0,0,0,0|1,0,1]=4 155 B7R0.3 C=CC(O)CCCC M10067454P [1,1,0,0,0,0|2,0,0]=4 156 B7R0.10 CCC(C)C(C)C=O M10218111P [1,1,0,0,0,0|0,0,0]=2 157 B7R0.11 C[C@@](O)(OCC)CO M10787517P [1,1,0,0,0,0|1,0,1]=4 158 B7R0.12 OCC(CCC)CO M10045939P [1,1,0,0,0,0|0,0,1]=3 159 B7R0.13 C#CC(C)(C)C(O)=O M10289912P [1,1,0,0,0,0|0,0,2]=4 160 B7R0.13 C=CC(C)(C)C(O)=O M10113674P [1,1,0,0,0,0|0,0,2]=4 161 B7R0.13 CC(C)(ON)C(O)=O M10581540P [1,1,0,0,0,0|2,0,0]=4 162 B7R0.13 CC[C@@](C)(N)C(O)=O M10050652P [1,1,0,0,0,0|0,0,0]=2 163 B7R0.13 CC[C@](C)(N)C(O)=O M10015239P [1,1,0,0,0,0|0,0,0]=2 164 B7R0.13 N[C@@](CO)(C)C(O)=O M10482199P [1,1,0,0,0,0|1,0,0]=3 165 B7R0.13 O=C(N)C(C)(C)CN M10858578P [1,1,0,0,0,0|2,0,0]=4 166 B7R0.13 O=C(O)C(C)(C)CO M10066659P [1,1,0,0,0,0|1,0,0]=3 167 B7R0.13 O=C(O)C(F)(F)CN M11105330P [1,1,0,0,0,0|2,0,0]=4 168 B7R0.13 O=C(O)[C@@](C)(N)CO M10145330P [1,1,0,0,0,0|1,0,0]=3 169 B7R0.15 CC(N(CC)CC)=O M10018363P [1,1,0,0,0,0|2,0,0]=4 170 B7R0.15 O=C(O)C(CBr)CBr M10245960P [1,1,0,0,0,0|1,0,0]=3 171 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [1,1,0,0,0,0|1,0,1]=4 172 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [1,1,0,0,0,0|1,0,1]=4 173 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [1,1,0,0,0,0|2,0,0]=4 174 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [1,1,0,0,0,0|0,0,0]=2 175 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [1,1,0,0,0,0|1,0,1]=4 176 B7R0.4 CC(CCCCBr)=O M10113189P [1,1,0,0,0,0|1,0,0]=3 177 B7R0.4 CC(OCCOC)=O M10003718P [1,1,0,0,0,0|2,0,0]=4 178 B7R0.4 CCCCCB(O)O M10065828P [1,1,0,0,0,0|1,0,1]=4 179 B7R0.4 CCCCCC(Cl)=O M10005436P [1,1,0,0,0,0|1,0,0]=3 180 B7R0.4 O=C(Cl)OCCCCl M10016962P [1,1,0,0,0,0|2,0,0]=4 181 B7R0.4 O=C(N)COCCCl M10232141P [1,1,0,0,0,0|2,0,0]=4 182 B7R0.4 O=C(N)NCCCC M10195780P [1,1,0,0,0,0|1,0,0]=3 183 B7R0.4 O=C(N)NCCCC M10200467P [1,1,0,0,0,0|1,0,0]=3 184 B7R0.4 O=C(O)CCCC#N M10239045P [1,1,0,0,0,0|0,0,1]=3 185 B7R0.4 O=C(O)CCCCO M10123275P [1,1,0,0,0,0|0,0,0]=2 186 B7R0.4 O=C(O)CCOCC M10062024P [1,1,0,0,0,0|0,0,0]=2 187 B7R0.4 O=C(O)CNCCN M10183221P [1,1,0,0,0,0|1,0,0]=3 188 B7R0.4 O=C(O)COCCC M10276951P [1,1,0,0,0,0|0,0,0]=2 189 B7R0.4 O=C([O-])CCCCO M10233260P [1,1,0,0,0,0|0,0,1]=3 190 B7R0.6 CC(C)CCB(O)O M10634235P [1,1,0,0,0,0|1,0,1]=4 191 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [1,1,0,0,0,0|0,0,2]=4 192 B7R0.6 CC(CCC([O-])=O)=O M10183682P [1,1,0,0,0,0|0,0,2]=4 193 B7R0.6 C[S+](CCC(O)=O)C M10062116P [1,1,0,0,0,0|1,0,0]=3 194 B7R0.6 O=C(C)CCC([O-])=O M10015062P [1,1,0,0,0,0|0,0,2]=4 195 B7R0.6 O=C(Cl)OCC(C)C M10013714P [1,1,0,0,0,0|2,0,0]=4 196 B7R0.6 O=C(O)CCN(C)C M10133339P [1,1,0,0,0,0|1,0,0]=3 197 B7R0.8 O[Sn](Cl)(CCCC)O M10122972P [1,1,0,0,0,0|1,0,1]=4 198 B9R0.4 CC(OC(C)=O)COCC M10278996P [0,1,0,0,0,1|1,0,0]=3 199 B9R0.34 CCC(OC(C)COC)=O M10772795P [0,1,0,0,0,1|2,0,0]=4 200 B9R0.34 CCCC(O)CC(OC)=O M10169115P [0,1,0,0,0,1|1,0,0]=3 201 B9R0.53 CC(C)CC(N)CC(O)=O M10056453P [0,1,0,0,0,1|1,0,0]=3 202 B9R0.27 CCC(C(F)C(OC)=O)=O M10808281P [0,2,0,0,0,0|1,0,1]=4 203 B9R0.28 O=C(O)C(C)(C)C(OC)=O M10120166P [0,2,0,0,0,0|1,0,1]=4 204 B9R0.29 CC[C@H](C)[C@H](NC)C(O)=O M10060277P [0,2,0,0,0,0|0,0,0]=2 205 B9R0.41 CCC(CC)[C@@H](N)C(O)=O M10130394P [0,2,0,0,0,0|1,0,0]=3 206 B9R0.41 CCC(CC)[C@H](N)C(O)=O M10130389P [0,2,0,0,0,0|1,0,0]=3 207 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(O)=O M10112428P [0,2,0,0,0,0|1,0,0]=3 208 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(O)=O M10512441P [0,2,0,0,0,0|1,0,0]=3 209 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O M10955521P [0,2,0,0,0,0|1,0,0]=3 210 B9R0.79 N[C@@H]([C@@H](C)C(O)C)C(O)=O M10282294P [0,2,0,0,0,0|1,0,0]=3 211 B9R0.8 CCCCC(Br)C(OC)=O M10064420P [0,2,0,0,0,0|1,0,0]=3 212 B9R0.8 CCCCC(Br)C(OC)=O M10437847P [0,2,0,0,0,0|1,0,0]=3 213 B9R0.8 O=C(OC)[C@@H](N)CCCN M10242020P [0,2,0,0,0,0|1,0,0]=3 214 B9R0.8 [Zn+]OC([C@@H](N)CCSC)=O M10287809P [0,2,0,0,0,0|1,0,0]=3 215 B9R0.35 CCCC(C(O)CCC)=O M10012297P [0,2,0,0,0,0|2,0,0]=4 216 B9R0.35 CCCC(C(OCC)=O)=O M10254180P [0,2,0,0,0,0|1,0,1]=4 217 B9R0.35 O=C(OCC)C(Cl)OCC M10222370P [0,2,0,0,0,0|2,0,0]=4 218 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [0,2,0,0,0,0|1,0,0]=3 219 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [0,2,0,0,0,0|1,0,0]=3 220 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O M10014819P [0,2,0,0,0,0|1,0,1]=4 221 B9R0.7 N[C@H](CCC(O)=O)C(O)=O M10005213P [0,2,0,0,0,0|1,0,1]=4 222 B9R0.13 CCCCC(CC)C(Cl)=O M10020004P [0,2,0,0,0,0|1,0,0]=3 223 B9R0.13 CCCCC(CC)C([O-])=O M10188990P [0,2,0,0,0,0|0,0,1]=3 224 B9R0.13 CCCCC(CC)C([O-])=O M12014329P [0,2,0,0,0,0|0,0,1]=3 225 B9R0.47 O=C(O)[C@@H](N)CCCCN M10073031P [0,2,0,0,0,0|1,0,0]=3 226 B9R0.47 O=C(O)[C@@H](N)CCCCN M10197723P [0,2,0,0,0,0|1,0,0]=3 227 B9R0.39 O=C(O)[C@@H](NC(C)=O)CS M10016257P [0,2,0,0,0,0|1,0,1]=4 228 B7R1.1 BrCC1CCCC1 M10057867P [1,0,0,1,0,0|1,0,1]=4 229 B7R1.1 Br[Mg]C1CCCC1 M10219729P [1,0,0,1,0,0|2,0,0]=4 230 B7R1.1 COC1CCCC1 M10078199P [1,0,0,1,0,0|2,0,0]=4 231 B7R1.1 Cl[Mg]C1CCCC1 M12276705P [1,0,0,1,0,0|2,0,0]=4 232 B7R1.1 NCC1CCCC1 M10302882P [1,0,0,1,0,0|1,0,1]=4 233 B7R1.1 O=CC1OCCC1 M10109701P [1,0,0,1,0,0|1,0,0]=3 234 B7R1.1 OCC1COCC1 M10138830P [1,0,0,1,0,0|1,0,1]=4 235 B7R1.1 OC[C@@H]1CNCC1 M10673087P [1,0,0,1,0,0|1,0,1]=4 236 B7R1.1 OC[C@H]1CNCC1 M10673086P [1,0,0,1,0,0|1,0,1]=4 237 B7R1.3 C[C@@H]1NCCOC1 M11094562P [1,0,0,1,0,0|1,0,1]=4 238 B7R1.3 C[C@H]1CNCCC1 M10841057P [1,0,0,1,0,0|1,0,1]=4 239 B7R1.3 C[C@H]1NCCCC1 M10035322P [1,0,0,1,0,0|2,0,0]=4 240 B7R1.3 C[C@H]1NCCOC1 M10088620P [1,0,0,1,0,0|1,0,1]=4 241 B7R1.3 C[C@H]1NCCOC1 M10456366P [1,0,0,1,0,0|1,0,1]=4 242 B7R1.3 N[C@@H]1COCCC1 M10121266P [1,0,0,1,0,0|1,0,1]=4 243 B7R1.3 N[C@@H]1COCCC1 M11098623P [1,0,0,1,0,0|1,0,1]=4 244 B7R1.3 N[C@H]1COCCC1 M11098624P [1,0,0,1,0,0|1,0,1]=4 245 B7R1.4 CC1=CCCC1=O M10027183P [1,0,0,1,0,0|0,0,2]=4 246 B7R1.4 O=C1C(Br)CCC1 M10172483P [1,0,0,1,0,0|1,0,0]=3 247 B7R1.4 O=C1C(C)CCC1 M10027182P [1,0,0,1,0,0|0,0,0]=2 248 B7R1.4 O=C1C(Cl)CCC1 M10018599P [1,0,0,1,0,0|1,0,0]=3 249 B7R1.4 O=C1NCCC1O M10135336P [1,0,0,1,0,0|2,0,0]=4 250 B7R1.4 O=C1NCC[C@@H]1N M10060287P [1,0,0,1,0,0|2,0,0]=4 251 B7R1.4 O=C1NCC[C@@H]1N M10288485P [1,0,0,1,0,0|2,0,0]=4 252 B7R1.4 O=C1NCC[C@H]1O M10468150P [1,0,0,1,0,0|2,0,0]=4 253 B7R1.4 O[C@@H]1[C@@H](N)CCC1 M10430095P [1,0,0,1,0,0|1,0,1]=4 254 B7R1.4 O[C@@H]1[C@H](N)CCC1 M10841437P [1,0,0,1,0,0|1,0,1]=4 255 B7R1.4 O[C@H]1[C@@H](N)CCC1 M10743008P [1,0,0,1,0,0|1,0,1]=4 256 B7R1.4 O[C@H]1[C@H](N)CCC1 M10215039P [1,0,0,1,0,0|1,0,1]=4 257 B7R1.4 O[C@H]1[C@H](N)CCC1 M10430096P [1,0,0,1,0,0|1,0,1]=4 258 B7R1.4 O[C@H]1[C@H](O)CCC1 M10192705P [1,0,0,1,0,0|1,0,1]=4 259 B7R1.6 NCCC1COC1 M11122690P [1,0,0,1,0,0|1,0,1]=4 260 B7R1.6 OCCC1COC1 M10845630P [1,0,0,1,0,0|1,0,1]=4 261 B7R1.25 OCC1(N)CCC1 M10808213P [1,0,0,1,0,0|1,0,1]=4 262 B7R1.27 CC1(C#N)C(C)C1 M10785688P [1,0,0,1,0,0|1,0,1]=4 263 B7R1.18 N=C(C1CCC1)N M10444128P [1,0,0,1,0,0|2,0,0]=4 264 B7R1.18 O=C(C1NCC1)O M10164146P [1,0,0,1,0,0|1,0,0]=3 265 B7R1.18 O=C(C1OCC1)O M10006194P [1,0,0,1,0,0|1,0,0]=3 266 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [1,0,0,1,0,0|1,0,0]=3 267 B7R1.18 O=C([C@H]1NCC1)O M10875068P [1,0,0,1,0,0|1,0,0]=3 268 B7R1.18 OB(C1CCC1)O M10997879P [1,0,0,1,0,0|1,0,1]=4 269 B7R1.19 O=C(C1(C)CC1)N M10139369P [1,0,0,1,0,0|1,0,0]=3 270 B7R1.7 CCCCC1OC1 M10030748P [1,0,0,1,0,0|1,0,1]=4 271 B9R1.13 CC(N[C@@H]1CNCC1)=O M10695408P [0,0,0,1,0,1|2,0,0]=4 272 B9R1.13 O=C(O)CC1COCC1 M10746626P [0,0,0,1,0,1|1,0,0]=3 273 B9R1.13 O=C(O)CC1OCCC1 M10043869P [0,0,0,1,0,1|1,0,0]=3 274 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10330790P [0,0,0,1,0,1|1,0,0]=3 275 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10879019P [0,0,0,1,0,1|1,0,0]=3 276 B9R1.13 O=C(O)C[C@H]1CNCC1 M10715094P [0,0,0,1,0,1|1,0,0]=3 277 B9R1.34 O=C1CC(C)NC(C)C1 M11091903P [0,0,0,1,0,1|2,0,0]=4 278 B9R1.41 O=C([C@H]1N(C)CCC1)O M10011652P [0,0,0,1,0,1|1,0,0]=3 279 B9R1.37 O=C1C(C(C)CC1C)=O M10124287P [0,1,0,1,0,0|0,0,1]=3 280 B9R1.93 O=C([C@]1(N)[C@H](C=C)C1)O M10788000P [0,1,0,1,0,0|0,0,2]=4 281 B9R1.5 O=C1NCCCCC1N M10018058P [0,1,0,1,0,0|2,0,0]=4 282 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [0,1,0,1,0,0|2,0,0]=4 283 B9R1.11 ClCC(N1CCCC1)=O M10165063P [0,1,0,1,0,0|2,0,0]=4 284 B9R1.11 O=C(C1=CCCC1)OC M10190686P [0,1,0,1,0,0|0,0,2]=4 285 B9R1.11 O=C(C1CNCC1)OC M10828155P [0,1,0,1,0,0|1,0,0]=3 286 B9R1.11 O=C(C1OCCC1)OC M10233304P [0,1,0,1,0,0|1,0,0]=3 287 B9R1.15 O=C1C(OC)COCC1 M10903127P [0,1,0,1,0,0|2,0,0]=4 288 B9R1.15 O=C1NCCCC1OC M10188359P [0,1,0,1,0,0|1,0,0]=3 289 B9R1.15 O[C@H]1[C@H](NC)CCCC1 M10171206P [0,1,0,1,0,0|1,0,1]=4 290 B9R1.33 O=C1N(CCC)CCC1 M10054809P [0,1,0,1,0,0|2,0,0]=4 291 B9R1.82 O=C(C1CC(C1)=O)OC M10018683P [0,1,0,1,0,0|1,0,1]=4 292 B9R1.82 O=C(C1CC(Cl)C1)OC M10139679P [0,1,0,1,0,0|1,0,0]=3 293 B9R1.82 O=C(C1CC(O)C1)OC M10067430P [0,1,0,1,0,0|1,0,0]=3 294 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC M10393173P [0,1,0,1,0,0|1,0,0]=3 295 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC M10393174P [0,1,0,1,0,0|1,0,0]=3 296 B9R1.6 CC(C1CCCCC1)=O M10021388P [0,1,0,1,0,0|1,0,0]=3 297 B9R1.6 CC(C1CCOCC1)=O M10742643P [0,1,0,1,0,0|1,0,0]=3 298 B9R1.6 N=C(C1CCNCC1)N M11106217P [0,1,0,1,0,0|2,0,0]=4 299 B9R1.6 O=C(C1=CCCCC1)O M10017285P [0,1,0,1,0,0|0,0,1]=3 300 B9R1.6 O=C(C1=CCCCO1)O M10214169P [0,1,0,1,0,0|0,0,2]=4 301 B9R1.6 O=C(C1CCCCC1)O M10002681P [0,1,0,1,0,0|0,0,0]=2 302 B9R1.6 O=C(C1CCCCC1)[O-] M10005124P [0,1,0,1,0,0|0,0,1]=3 303 B9R1.6 O=C(C1CCCCO1)O M10261099P [0,1,0,1,0,0|0,0,0]=2 304 B9R1.6 O=C(C1CCOCC1)O M10071426P [0,1,0,1,0,0|0,0,0]=2 305 B9R1.6 O=C(C1COCCC1)O M10012480P [0,1,0,1,0,0|0,0,0]=2 306 B9R1.6 O=C(C1NCCNC1)O M10047414P [0,1,0,1,0,0|1,0,0]=3 307 B9R1.6 O=C(C1NCCSC1)O M10168222P [0,1,0,1,0,0|1,0,0]=3 308 B9R1.6 O=C(Cl)C1CCOCC1 M10241966P [0,1,0,1,0,0|1,0,0]=3 309 B9R1.6 O=C([C@@H]1NCCNC1)O M10723219P [0,1,0,1,0,0|1,0,0]=3 310 B9R1.6 O=C([C@H]1CNCCC1)O M11020814P [0,1,0,1,0,0|0,0,0]=2 311 B9R1.35 N[C@@H]1C=C[C@H](C(O)=O)C1 M10732338P [0,1,0,1,0,0|0,0,2]=4 312 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10732337P [0,1,0,1,0,0|0,0,2]=4 313 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10737963P [0,1,0,1,0,0|0,0,2]=4 314 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,1,0,1,0,0|0,0,1]=3 315 B9R1.35 O=C(C1CN(C)CC1)O M10190927P [0,1,0,1,0,0|0,0,0]=2 316 B9R1.35 O=C(C1CN(C)CC1)O M10254714P [0,1,0,1,0,0|0,0,0]=2 317 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,1,0,1,0,0|1,0,1]=4 318 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O M10758337P [0,1,0,1,0,0|1,0,0]=3 319 B9R1.35 O=C([C@@H]1NC[C@H](O)C1)O M10467856P [0,1,0,1,0,0|1,0,0]=3 320 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,1,0,1,0,0|1,0,1]=4 321 B9R1.40 O=C1C(C)(C)CCCC1 M10028759P [0,1,0,1,0,0|1,0,0]=3 322 B9R1.163 O=C([C@@]1(C)NCCC1)O M10249798P [0,1,0,1,0,0|0,0,0]=2 323 B9R1.163 O=C([C@]1(C)NCCC1)O M10392222P [0,1,0,1,0,0|0,0,0]=2 324 B9R2.25 O=C1OC(C2CC12)=O M10078252P [0,0,0,2,0,0|1,0,1]=4