0 B6R0.3 C=C(C#N)C(O)=O M10138630P [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 C=C(CBr)C(O)=O M10448395P [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CC(C(CBr)=O)=O M10070633P [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(C(S)CC)=O M10426560P [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CC(NC)C(O)=O M10015418P [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 CC(OC)C(O)=O M10062023P [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CCC(B(O)O)C M10538835P [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CCC(Br)C(Br)=O M10192304P [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 CCC(C(O)=O)=C M10055842P [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 C\C(C(O)=O)=C\C M10014266P [0,0,0,0,0,0|2,0,2]=4 11 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [0,0,0,0,0,0|0,0,0]=0 12 B6R0.3 N[C@H](CS)C(O)=O M10832565P [0,0,0,0,0,0|0,0,0]=0 13 B6R0.3 O=C(Cl)C(Br)CBr M10157298P [0,0,0,0,0,0|3,0,0]=3 14 B6R0.3 O=C(N)C(N)C#N M10095757P [0,0,0,0,0,0|2,0,1]=3 15 B6R0.3 O=C(O)C(N)CS M10631134P [0,0,0,0,0,0|0,0,0]=0 16 B6R0.3 O=C(O)C(O)CCl M10035208P [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [0,0,0,0,0,0|1,0,0]=1 18 B5R0.1 CC(CC#N)=O M10044340P [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(CCCl)=O M10089400P [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CC(COC)=O M10081509P [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 ClCOC(C)=O M10016791P [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 O=C(Cl)OCCl M10173503P [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 O=C(O)CCF M10011311P [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 O=C(O)CCO M10012525P [1,0,0,0,0,0|0,1,0]=2 25 B5R0.1 O=C([O-])CNC M10061947P [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 O=[N+](CCO)[O-] M10016784P [1,0,0,0,0,0|1,1,1]=4 27 B5R0.3 C=CC(O)CC M10016219P [1,0,0,0,0,0|3,0,0]=4 28 B5R0.3 C=C[C@H](O)CO M10361006P [1,0,0,0,0,0|2,1,0]=4 29 B5R0.3 CCC(C)CS M10037434P [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 CCC(C=O)=C M10023101P [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 CCC(N)CC M10016218P [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 CCC(N)CO M10120213P [1,0,0,0,0,0|1,0,1]=3 33 B5R0.3 OC[C@@H](O)CN M12012902P [1,0,0,0,0,0|2,0,1]=4 34 B5R0.5 C=C(F)C(O)=O M10010638P [1,0,0,0,0,0|1,0,2]=4 35 B5R0.5 CC(C(C)=C)=O M10021132P [1,0,0,0,0,0|2,0,1]=4 36 B5R0.5 CC(C([O-])=O)=C M10077430P [1,0,0,0,0,0|1,0,2]=4 37 B5R0.5 CC(C([O-])=O)=C M10097056P [1,0,0,0,0,0|1,0,2]=4 38 B5R0.5 CC(C)C([O-])=O M10209916P [1,0,0,0,0,0|1,0,1]=3 39 B5R0.5 CC(F)C(O)=O M10083620P [1,0,0,0,0,0|1,0,0]=2 40 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [1,0,0,0,0,0|2,0,0]=3 41 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [1,0,0,0,0,0|1,0,0]=2 42 B5R0.5 C[C@@H](O)C(O)=O M10114112P [1,0,0,0,0,0|1,0,0]=2 43 B5R0.5 C[C@@H](O)[C@@H](S)C M10234757P [1,0,0,0,0,0|2,0,1]=4 44 B5R0.5 C[C@@H](O)[C@H](O)C M10184381P [1,0,0,0,0,0|2,0,1]=4 45 B5R0.5 C[C@H](Br)C(O)=O M10217830P [1,0,0,0,0,0|1,0,0]=2 46 B5R0.5 C[C@H](O)[C@@H](O)C M10159152P [1,0,0,0,0,0|2,0,1]=4 47 B5R0.5 O=C(C)C([O-])=O M10204094P [1,0,0,0,0,0|1,0,2]=4 48 B5R0.5 O=C(O)C(Br)Cl M10077985P [1,0,0,0,0,0|2,0,0]=3 49 B5R0.5 O=C(O)C(O)=O M10094285P [1,0,0,0,0,0|1,1,1]=4 50 B5R0.5 O=C([O-])C(Cl)Cl M10040578P [1,0,0,0,0,0|2,0,1]=4 51 B5R0.5 OC(C)C([O-])=O M10140216P [1,0,0,0,0,0|1,0,1]=3 52 B5R0.5 OC(C)C([O-])=O M10189588P [1,0,0,0,0,0|1,0,1]=3 53 B5R0.5 [O-]C(C)C([O-])=O M10249277P [1,0,0,0,0,0|1,0,1]=3 54 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [0,1,0,0,0,0|1,0,0]=2 55 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [0,1,0,0,0,0|1,0,0]=2 56 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [0,1,0,0,0,0|1,0,0]=2 57 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,1,0,0,0,0|2,0,0]=3 58 B7R0.5 CCCC(C)C(O)=O M10209692P [0,1,0,0,0,0|2,0,0]=3 59 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,1,0,0,0,0|2,0,1]=4 60 B7R0.5 O=C(O)C(Cl)COC M10045189P [0,1,0,0,0,0|1,1,0]=3 61 B7R0.5 O=C(O)C(F)CCN M10193859P [0,1,0,0,0,0|2,0,0]=3 62 B7R0.5 O=C(O)C(N)CCN M10024859P [0,1,0,0,0,0|1,0,0]=2 63 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,1,0,0,0,0|2,0,1]=4 64 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [0,1,0,0,0,0|0,1,0]=2 65 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [0,1,0,0,0,0|0,1,0]=2 66 B7R0.5 O=C(O)[C@H](N)COC M10505436P [0,1,0,0,0,0|0,1,0]=2 67 B7R0.5 O=C(O)[C@H](N)COC M10505437P [0,1,0,0,0,0|0,1,0]=2 68 B7R0.10 C=C(CBr)C(OC)=O M10061142P [0,1,0,0,0,0|2,0,1]=4 69 B7R0.10 C=C(CCl)C(OC)=O M10023089P [0,1,0,0,0,0|2,0,1]=4 70 B7R0.10 C=C(CO)C(OC)=O M10137156P [0,1,0,0,0,0|1,1,1]=4 71 B7R0.10 N[C@@H](CCl)C(OC)=O M10147479P [0,1,0,0,0,0|1,0,0]=2 72 B7R0.10 O=C(NN)C(N)CO M10285009P [0,1,0,0,0,0|1,1,0]=3 73 B7R0.10 O=C(OC)C(Br)CBr M10035422P [0,1,0,0,0,0|2,0,0]=3 74 B7R0.10 O=C(OC)C(Cl)CCl M10056613P [0,1,0,0,0,0|2,0,0]=3 75 B7R0.10 O=C(OC)[C@@H](O)CO M10113922P [0,1,0,0,0,0|1,1,0]=3 76 B7R0.10 O=C(OC)[C@H](N)CCl M10682812P [0,1,0,0,0,0|1,0,0]=2 77 B7R0.10 O=C([C@@H](O)CO)CO M10013403P [0,1,0,0,0,0|1,1,0]=3 78 B7R0.13 C#CC(C)(C)C(O)=O M10289912P [0,1,0,0,0,0|2,0,1]=4 79 B7R0.13 C=CC(C)(C)C(O)=O M10113674P [0,1,0,0,0,0|2,0,1]=4 80 B7R0.13 CC(C)(ON)C(O)=O M10581540P [0,1,0,0,0,0|3,0,0]=4 81 B7R0.13 CC[C@@](C)(N)C(O)=O M10050652P [0,1,0,0,0,0|1,0,0]=2 82 B7R0.13 CC[C@](C)(N)C(O)=O M10015239P [0,1,0,0,0,0|1,0,0]=2 83 B7R0.13 N[C@@](CO)(C)C(O)=O M10482199P [0,1,0,0,0,0|0,1,0]=2 84 B7R0.13 O=C(N)C(C)(C)CN M10858578P [0,1,0,0,0,0|3,0,0]=4 85 B7R0.13 O=C(O)C(C)(C)CO M10066659P [0,1,0,0,0,0|1,1,0]=3 86 B7R0.13 O=C(O)C(F)(F)CN M11105330P [0,1,0,0,0,0|2,0,0]=3 87 B7R0.13 O=C(O)[C@@](C)(N)CO M10145330P [0,1,0,0,0,0|0,1,0]=2 88 B7R0.15 O=C(O)C(CBr)CBr M10245960P [0,1,0,0,0,0|2,0,0]=3 89 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,1,0,0,0,0|0,1,1]=3 90 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,1,0,0,0,0|2,0,1]=4 91 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [0,1,0,0,0,0|2,0,0]=3 92 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,1,0,0,0,0|2,0,0]=3 93 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [0,1,0,0,0,0|1,1,1]=4 94 B7R0.16 O=C(O)C(O)C(O)=O M10001299P [0,1,0,0,0,0|1,1,1]=4 95 B7R1.4 C=C1CCOC1=O M10013811P [0,0,0,1,0,0|2,0,1]=4 96 B7R1.4 O=C1C(Br)CCC1 M10172483P [0,0,0,1,0,0|3,0,0]=4 97 B7R1.4 O=C1C(C)CCC1 M10027182P [0,0,0,1,0,0|3,0,0]=4 98 B7R1.4 O=C1C(Cl)CCC1 M10018599P [0,0,0,1,0,0|3,0,0]=4 99 B7R1.4 O=C1NCCC1O M10135336P [0,0,0,1,0,0|3,0,0]=4 100 B7R1.4 O=C1NCC[C@@H]1N M10060287P [0,0,0,1,0,0|2,0,0]=3 101 B7R1.4 O=C1NCC[C@@H]1N M10288485P [0,0,0,1,0,0|2,0,0]=3 102 B7R1.4 O=C1NCC[C@H]1O M10468150P [0,0,0,1,0,0|3,0,0]=4 103 B7R1.4 O[C@@H]1[C@@H](N)CCC1 M10430095P [0,0,0,1,0,0|2,0,1]=4 104 B7R1.4 O[C@@H]1[C@H](N)CCC1 M10841437P [0,0,0,1,0,0|2,0,1]=4 105 B7R1.4 O[C@H]1[C@@H](N)CCC1 M10743008P [0,0,0,1,0,0|2,0,1]=4 106 B7R1.4 O[C@H]1[C@H](N)CCC1 M10215039P [0,0,0,1,0,0|2,0,1]=4 107 B7R1.4 O[C@H]1[C@H](N)CCC1 M10430096P [0,0,0,1,0,0|2,0,1]=4 108 B7R1.18 O=C(C1NCC1)O M10164146P [0,0,0,1,0,0|1,0,0]=2 109 B7R1.18 O=C(C1OCC1)O M10006194P [0,0,0,1,0,0|2,0,0]=3 110 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,0,0,1,0,0|1,0,0]=2 111 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,0,0,1,0,0|1,0,0]=2 112 B7R1.19 O=C(C1(C)CC1)N M10139369P [0,0,0,1,0,0|3,0,0]=4 113 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,0,0,0,0,1|3,0,0]=4 114 B7R0.2 O=C(O)CC(O)CN M10190010P [0,0,0,0,0,1|2,0,0]=3 115 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [0,0,0,0,0,1|2,0,0]=3 116 B4R0.1 C=C(C)C=O M10001153P [2,0,0,0,0,0|1,0,1]=4 117 B4R0.1 C=CC(Cl)C M10014214P [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 CC(CCl)=O M10001162P [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 CC(CN)=O M10110205P [2,0,0,0,0,0|1,0,0]=3 120 B4R0.1 CC(O)C=C M10195978P [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 CC(O)CCl M10004741P [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 CC(SC)=O M10032388P [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 CCC(N)=S M10017126P [2,0,0,0,0,0|1,1,0]=4 124 B4R0.1 CCC([O-])=O M10205103P [2,0,0,0,0,0|0,0,1]=3 125 B4R0.1 C[C@@H](N)CC M10122112P [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 C[C@@H](N)CN M10162469P [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 C[C@@H](O)CC M10133832P [2,0,0,0,0,0|1,0,1]=4 128 B4R0.1 C\C(N)=N\O M10173143P [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 N=C(N)CN M10436074P [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 NCC([O-])=O M10102492P [2,0,0,0,0,0|0,0,1]=3 131 B4R0.1 NCC([O-])=O M10164487P [2,0,0,0,0,0|0,0,1]=3 132 B4R0.1 NCC([O-])=O M10229094P [2,0,0,0,0,0|0,0,1]=3 133 B4R0.1 NNC(N)=O M10000401P [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 O=C(Cl)CBr M10173456P [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 O=C(Cl)CF M10009145P [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 O=C(N)CF M10017415P [2,0,0,0,0,0|1,0,1]=4 137 B4R0.1 O=C(N)CN M10015343P [2,0,0,0,0,0|1,0,0]=3 138 B4R0.1 O=C([O-])CN M10133319P [2,0,0,0,0,0|0,0,1]=3 139 B4R0.1 O=C([O-])CO M10048155P [2,0,0,0,0,0|0,1,1]=4 140 B4R0.1 OC(C)C[O-] M12031334P [2,0,0,0,0,0|1,1,0]=4 141 B4R0.1 ONC(C)C M10255095P [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 SCC([O-])=O M10194150P [2,0,0,0,0,0|0,0,1]=3 143 B4R0.1 SCC([O-])=O M12278138P [2,0,0,0,0,0|0,0,1]=3 144 B4R0.1 [NH-]CC(O)=O M12278746P [2,0,0,0,0,0|0,0,1]=3 145 B4R0.2 C(NCC)=O M10016925P [2,0,0,0,0,0|2,0,0]=4 146 B4R0.2 C=CCCCl M10023256P [2,0,0,0,0,0|2,0,0]=4 147 B4R0.2 C=CCCN M10044983P [2,0,0,0,0,0|2,0,0]=4 148 B4R0.2 OCCCF M10011351P [2,0,0,0,0,0|1,0,1]=4 149 B6R0.1 CCCC(NN)=O M10055378P [1,1,0,0,0,0|2,0,0]=4 150 B6R0.1 O=C(OC)CCN M10060379P [1,1,0,0,0,0|1,0,0]=3 151 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [1,1,0,0,0,0|2,0,0]=4 152 B6R0.2 CC(N)CC(O)=O M10187780P [1,1,0,0,0,0|1,0,0]=3 153 B6R0.2 CC(O)CC([O-])=O M10005658P [1,1,0,0,0,0|0,1,1]=4 154 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [1,1,0,0,0,0|0,1,0]=3 155 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [1,1,0,0,0,0|0,1,1]=4 156 B6R0.2 C[C@H](N)CC(O)=O M10057573P [1,1,0,0,0,0|1,0,0]=3 157 B6R0.2 C[C@H](N)CC(O)=O M10302309P [1,1,0,0,0,0|1,0,0]=3 158 B6R0.2 C[C@H](O)CC(O)=O M10084600P [1,1,0,0,0,0|0,1,0]=3 159 B6R0.4 C#CCCC(O)=O M10083651P [1,1,0,0,0,0|1,0,0]=3 160 B6R0.4 C=CCCC(Cl)=O M10240332P [1,1,0,0,0,0|2,0,0]=4 161 B6R0.4 CC(CCC=C)=O M10003621P [1,1,0,0,0,0|2,0,0]=4 162 B6R0.4 CC(CCCBr)=O M10058337P [1,1,0,0,0,0|2,0,0]=4 163 B6R0.4 CC(NCCO)=O M10005418P [1,1,0,0,0,0|1,1,0]=4 164 B6R0.4 CC(OCCO)=O M10013697P [1,1,0,0,0,0|1,1,0]=4 165 B6R0.4 CC\C=C\C(O)=O M10016889P [1,1,0,0,0,0|1,0,1]=4 166 B6R0.4 O=C(Cl)CCCBr M10023246P [1,1,0,0,0,0|2,0,0]=4 167 B6R0.4 O=C(Cl)OCCCl M10016902P [1,1,0,0,0,0|2,0,0]=4 168 B6R0.4 O=C(N)NCCO M10039744P [1,1,0,0,0,0|1,1,0]=4 169 B6R0.4 O=C(O)CCC#N M10140304P [1,1,0,0,0,0|1,0,0]=3 170 B6R0.4 O=C(O)CCCCl M10016891P [1,1,0,0,0,0|1,0,0]=3 171 B6R0.4 O=C(O)CCOC M10045190P [1,1,0,0,0,0|0,1,0]=3 172 B6R0.4 O=C(O)CCSC M10017612P [1,1,0,0,0,0|0,0,0]=2 173 B6R0.4 O=C(O)COCC M10016894P [1,1,0,0,0,0|1,0,0]=3 174 B6R0.4 O=C(O)\C=C\CBr M10127900P [1,1,0,0,0,0|1,0,1]=4 175 B6R0.4 O=C([O-])CNCO M10437440P [1,1,0,0,0,0|0,1,1]=4 176 B6R0.4 O=[Sn](CCCC)O M10042008P [1,1,0,0,0,0|2,0,0]=4 177 B6R0.5 NCCP(O)(O)=O M10039321P [1,1,0,0,0,0|2,0,0]=4 178 B6R0.5 OCCS(=O)(O)=O M10003429P [1,1,0,0,0,0|1,1,0]=4 179 B6R0.8 O=CC(C)(C)CO M10015286P [1,1,0,0,0,0|1,1,0]=4 180 B6R0.9 CCC(CC)C=O M10002597P [1,1,0,0,0,0|2,0,0]=4 181 B6R0.7 CC(C(C)(O)C)=O M10004002P [1,1,0,0,0,0|2,0,0]=4 182 B6R0.7 CC(C)(Br)C(Cl)=O M12277198P [1,1,0,0,0,0|2,0,0]=4 183 B6R0.7 CC(C)(Br)C(N)=O M10105866P [1,1,0,0,0,0|2,0,0]=4 184 B6R0.7 CC(C)(C)C(N)=O M10019870P [1,1,0,0,0,0|2,0,0]=4 185 B6R0.7 CC(C)(C)C([O-])=O M10179561P [1,1,0,0,0,0|1,0,1]=4 186 B6R0.7 CC(C)(Cl)C(O)=O M10015207P [1,1,0,0,0,0|1,0,0]=3 187 B6R0.7 CC(C)(F)C(O)=O M10396272P [1,1,0,0,0,0|1,0,0]=3 188 B6R0.7 CC(C)(S)C(O)=O M10065399P [1,1,0,0,0,0|1,0,0]=3 189 B6R0.7 CC(F)(F)C(O)=O M10009569P [1,1,0,0,0,0|1,0,0]=3 190 B6R0.7 CC(O)(C)C(N)=O M10119909P [1,1,0,0,0,0|2,0,0]=4 191 B6R0.7 O=C(O)C(Br)(Br)Br M10000934P [1,1,0,0,0,0|2,0,0]=4 192 B6R0.7 OC(C(F)(F)C)=S M10491979P [1,1,0,0,0,0|1,1,0]=4 193 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,1,0,0,0,1|2,0,0]=4 194 B8R0.19 O=C(OC)CC(O)CCl M10115529P [0,1,0,0,0,1|2,0,0]=4 195 B8R0.19 O=C(OC)C[C@@H](O)CCl M10538831P [0,1,0,0,0,1|2,0,0]=4 196 B8R0.19 O=C(OC)C[C@H](O)CCl M10508237P [0,1,0,0,0,1|2,0,0]=4 197 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O M12276677P [0,1,0,0,0,1|0,1,1]=4 198 B8R0.23 O=C([O-])[C@@H](N)CC(O)=O M10238865P [0,1,0,0,0,1|0,1,1]=4 199 B8R0.3 CCCC(Br)C(OC)=O M10159141P [0,2,0,0,0,0|2,0,0]=4 200 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [0,2,0,0,0,0|1,0,0]=3 201 B8R0.3 N[C@H](CC)C(OCC)=O M10388706P [0,2,0,0,0,0|1,0,0]=3 202 B8R0.3 O=C(OC)C(Br)CCBr M10437848P [0,2,0,0,0,0|2,0,0]=4 203 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,2,0,0,0,0|2,0,0]=4 204 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,2,0,0,0,0|1,0,0]=3 205 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,2,0,0,0,0|1,0,0]=3 206 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,2,0,0,0,0|1,0,0]=3 207 B8R0.8 O=C([O-])C(O)CCSC M10066845P [0,2,0,0,0,0|1,0,1]=4 208 B8R0.12 C=CC[C@@](C)(N)C(O)=O M10630880P [0,2,0,0,0,0|1,0,0]=3 209 B8R0.13 O=C(OC)C(C)(C)CN M10188770P [0,2,0,0,0,0|2,0,0]=4 210 B8R0.13 O=C(OC)C(C)(C)CN M10805825P [0,2,0,0,0,0|2,0,0]=4 211 B8R0.13 O=C(OC)C(C)(C)CO M10128017P [0,2,0,0,0,0|1,1,0]=4 212 B8R0.36 CCC(C)(CC)C(O)=O M10163207P [0,2,0,0,0,0|2,0,0]=4 213 B8R0.37 CC(C)C(C)(N)C(N)=O M10244521P [0,2,0,0,0,0|2,0,0]=4 214 B8R0.37 CC(C)[C@@](C)(N)C(O)=O M10273652P [0,2,0,0,0,0|1,0,0]=3 215 B8R0.37 CC(C)[C@](C)(N)C(O)=O M10273653P [0,2,0,0,0,0|1,0,0]=3 216 B8R0.27 CC(C)(C)[C@@H](N)C(O)=O M10195289P [0,2,0,0,0,0|1,0,0]=3 217 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O M10042100P [0,2,0,0,0,0|0,1,0]=3 218 B8R0.27 CC(C)(O)[C@H](N)C(O)=O M10042094P [0,2,0,0,0,0|0,1,0]=3 219 B8R0.27 N[C@@H](C(C)(C)C)C(N)=O M10458628P [0,2,0,0,0,0|2,0,0]=4 220 B8R0.27 O=C(O)C(N)C(F)(F)F M10628470P [0,2,0,0,0,0|1,0,0]=3 221 B6R1.2 O=C1CNCC1 M10002481P [1,0,0,1,0,0|2,0,0]=4 222 B6R1.2 O=C1CNCC1 M10057424P [1,0,0,1,0,0|2,0,0]=4 223 B6R1.2 O=C1OCCO1 M10002484P [1,0,0,1,0,0|2,0,0]=4 224 B6R1.6 O=CC1CCC1 M10049905P [1,0,0,1,0,0|2,0,0]=4 225 B6R1.6 O=CC1COC1 M10128905P [1,0,0,1,0,0|1,1,0]=4 226 B6R1.6 OC[C@H]1NCC1 M10655012P [1,0,0,1,0,0|1,0,1]=4 227 B6R1.7 OCC1(N)CC1 M10665765P [1,0,0,1,0,0|1,0,1]=4 228 B8R1.1 O=C1OCC(CO)O1 M10023416P [0,0,0,1,0,1|1,1,0]=4 229 B8R1.5 O=C1C(N)CCCC1 M10098058P [0,1,0,1,0,0|2,0,0]=4 230 B8R1.7 CC(C1SCCN1)=O M10425066P [0,1,0,1,0,0|2,0,0]=4 231 B8R1.7 O=C(C1CNCC1)O M10088532P [0,1,0,1,0,0|1,0,0]=3 232 B8R1.7 O=C(C1CNCC1)O M10307067P [0,1,0,1,0,0|1,0,0]=3 233 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [0,1,0,1,0,0|1,1,0]=4 234 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [0,1,0,1,0,0|1,0,1]=4 235 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [0,1,0,1,0,0|2,0,0]=4 236 B8R1.7 O=C([C@H]1COCC1)O M10421829P [0,1,0,1,0,0|1,1,0]=4 237 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,1,0,1,0,0|2,0,0]=4 238 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,1,0,1,0,0|2,0,0]=4 239 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,1,0,1,0,0|0,1,0]=3 240 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,1,0,1,0,0|1,1,0]=4 241 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,1,0,1,0,0|2,0,0]=4 242 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,1,0,1,0,0|1,1,0]=4 243 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,1,0,1,0,0|1,1,0]=4 244 B8R1.78 O=C(C1(N)CCC1)O M10174204P [0,1,0,1,0,0|1,0,0]=3 245 B8R1.78 O=C(C1(N)CCC1)O M10633940P [0,1,0,1,0,0|1,0,0]=3 246 B8R1.38 O=C(C1CCC1)OC M10020178P [0,1,0,1,0,0|2,0,0]=4 247 B8R1.38 O=C(C1NCC1)OC M10199118P [0,1,0,1,0,0|1,0,0]=3 248 B8R1.38 O=C([C@H]1NCC1)OC M10435419P [0,1,0,1,0,0|1,0,0]=3 249 B8R1.63 O=C(C1(C#N)CC1)O M10097174P [0,1,0,1,0,0|1,0,1]=4 250 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [0,1,0,1,0,0|2,0,0]=4 251 B8R1.77 O=C(C1C(F)(F)C1)O M10667522P [0,1,0,1,0,0|2,0,0]=4 252 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [0,1,0,1,0,0|2,0,0]=4