0 B7R0.16 C=C(C)C(N(C)C)=O M12276663P [0,0,0,0,0,0|3,0,0]=3 1 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,0,0,0,0,0|2,0,2]=4 2 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,0,0,0,0,0|0,0,0]=0 3 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [0,0,0,0,0,0|0,0,1]=1 4 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [0,0,0,0,0,0|0,0,1]=1 5 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [0,0,0,0,0,0|2,0,1]=3 6 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,0,0,0,0,0|1,0,1]=2 7 B7R0.16 O=C(O)C(N(C)C)=O M10218436P [0,0,0,0,0,0|1,0,0]=1 8 B6R0.2 CC(N)CC(O)=O M10187780P [1,0,0,0,0,0|1,0,1]=3 9 B6R0.2 CC(O)CC([O-])=O M10005658P [1,0,0,0,0,0|1,0,2]=4 10 B6R0.2 CC(OC(Br)C)=O M10242154P [1,0,0,0,0,0|3,0,0]=4 11 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [1,0,0,0,0,0|1,0,1]=3 12 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [1,0,0,0,0,0|1,0,2]=4 13 B6R0.2 C[C@H](N)CC(O)=O M10057573P [1,0,0,0,0,0|1,0,1]=3 14 B6R0.2 C[C@H](N)CC(O)=O M10302309P [1,0,0,0,0,0|1,0,1]=3 15 B6R0.2 C[C@H](O)CC(O)=O M10084600P [1,0,0,0,0,0|1,0,1]=3 16 B6R0.2 C[S+](CC([O-])=O)C M10065707P [1,0,0,0,0,0|1,0,2]=4 17 B6R0.2 O=C(Cl)C=C(C)C M10053608P [1,0,0,0,0,0|1,0,1]=3 18 B6R0.2 O=C([O-])CN(C)C M10154757P [1,0,0,0,0,0|1,0,2]=4 19 B6R0.3 C=C(C#N)C(O)=O M10138630P [1,0,0,0,0,0|2,0,1]=4 20 B6R0.3 C=C(CBr)C(O)=O M10448395P [1,0,0,0,0,0|2,0,0]=3 21 B6R0.3 C=C(F)C(OC)=O M10042642P [1,0,0,0,0,0|3,0,0]=4 22 B6R0.3 CC(C(CBr)=O)=O M10070633P [1,0,0,0,0,0|2,0,0]=3 23 B6R0.3 CC(C(NC)=O)=C M10058367P [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 CC(C(S)CC)=O M10426560P [1,0,0,0,0,0|1,1,1]=4 25 B6R0.3 CC(C)C(OC)=O M10013809P [1,0,0,0,0,0|2,0,0]=3 26 B6R0.3 CC(NC)C(O)=O M10015418P [1,0,0,0,0,0|2,0,1]=4 27 B6R0.3 CC(O)C(OC)=O M10013810P [1,0,0,0,0,0|2,0,1]=4 28 B6R0.3 CC(OC)C(O)=O M10062023P [1,0,0,0,0,0|2,0,1]=4 29 B6R0.3 CCC(Br)C(Br)=O M10192304P [1,0,0,0,0,0|2,0,1]=4 30 B6R0.3 CCC(C(O)=O)=C M10055842P [1,0,0,0,0,0|1,0,0]=2 31 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [1,0,0,0,0,0|2,0,1]=4 32 B6R0.3 C[C@H](O)C(OC)=O M10199944P [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 C\C(C(O)=O)=C\C M10014266P [1,0,0,0,0,0|1,0,1]=3 34 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [1,0,0,0,0,0|2,0,1]=4 35 B6R0.3 N[C@H](CS)C(O)=O M10832565P [1,0,0,0,0,0|2,0,1]=4 36 B6R0.3 O=C(N(C)C)CBr M10076656P [1,0,0,0,0,0|2,0,1]=4 37 B6R0.3 O=C(N(C)C)CN M10037195P [1,0,0,0,0,0|2,0,1]=4 38 B6R0.3 O=C(N(C)C)CN M10446751P [1,0,0,0,0,0|2,0,1]=4 39 B6R0.3 O=C(N)C(NN)=O M10012868P [1,0,0,0,0,0|3,0,0]=4 40 B6R0.3 O=C(O)C(N)CS M10631134P [1,0,0,0,0,0|2,0,1]=4 41 B6R0.3 O=C(O)C(O)CCl M10035208P [1,0,0,0,0,0|1,0,2]=4 42 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [1,0,0,0,0,0|2,0,1]=4 43 B8R0.2 CCC(C)C(C([O-])=O)=O M10422004P [0,1,0,0,0,0|0,0,1]=2 44 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,1,0,0,0,0|1,0,1]=3 45 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [0,1,0,0,0,0|2,0,1]=4 46 B8R0.2 C[C@H](O)[C@@H](N)C(OC)=O M10315071P [0,1,0,0,0,0|2,0,1]=4 47 B8R0.2 N[C@H](C(C)C)C(OC)=O M10013347P [0,1,0,0,0,0|1,0,1]=3 48 B8R0.27 CC(C)(C)[C@@H](N)C(O)=O M10195289P [0,1,0,0,0,0|1,0,1]=3 49 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O M10042100P [0,1,0,0,0,0|1,0,1]=3 50 B8R0.27 CC(C)(O)[C@H](N)C(O)=O M10042094P [0,1,0,0,0,0|1,0,1]=3 51 B8R0.27 N[C@@H](C(C)(C)C)C(N)=O M10458628P [0,1,0,0,0,0|2,0,1]=4 52 B8R0.27 O=C(C(C)(C)C)C(Cl)Cl M12013770P [0,1,0,0,0,0|2,0,1]=4 53 B8R0.37 CC(C)C(C)(N)C(N)=O M10244521P [0,1,0,0,0,0|2,0,1]=4 54 B8R0.37 CC(C)[C@@](C)(N)C(O)=O M10273652P [0,1,0,0,0,0|1,0,1]=3 55 B8R0.37 CC(C)[C@](C)(N)C(O)=O M10273653P [0,1,0,0,0,0|1,0,1]=3 56 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [0,0,0,1,0,0|1,0,0]=2 57 B8R1.54 O=C(O)C(C1CC1)=O M10127074P [0,0,0,1,0,0|0,0,0]=1 58 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [0,0,0,1,0,0|1,0,1]=3 59 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [0,0,0,1,0,0|1,0,1]=3 60 B8R0.23 C=C(NC(C)=O)C(O)=O M10074141P [0,0,0,0,0,1|2,0,1]=4 61 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [0,0,0,0,0,1|2,0,0]=3 62 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,0,0,0,0,1|1,0,0]=2 63 B8R0.23 CC(C(NC(C)C)=O)=C M10126221P [0,0,0,0,0,1|2,0,0]=3 64 B8R0.23 CC(C)CC(C([O-])=O)=O M10616782P [0,0,0,0,0,1|0,0,1]=2 65 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [0,0,0,0,0,1|0,0,2]=3 66 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [0,0,0,0,0,1|0,0,2]=3 67 B8R0.23 C[C@@H](N)C(OC(C)C)=O M10240042P [0,0,0,0,0,1|2,0,1]=4 68 B5R0.1 C=COC(C)C M10023217P [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 C\C=C\C(Cl)=O M10016774P [2,0,0,0,0,0|1,0,1]=4 70 B5R0.1 C\C=C\C(Cl)=O M10115520P [2,0,0,0,0,0|1,0,1]=4 71 B5R0.1 O=C(O)CCF M10011311P [2,0,0,0,0,0|1,0,1]=4 72 B5R0.1 O=C(O)CCO M10012525P [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 O=NOC(C)C M10013647P [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 C=CC(NC)=O M10028554P [2,0,0,0,0,0|2,0,0]=4 75 B5R0.3 CCC(C=O)=C M10023101P [2,0,0,0,0,0|1,0,0]=3 76 B5R0.3 CCC(CBr)=O M10021171P [2,0,0,0,0,0|1,0,1]=4 77 B5R0.3 CCC(NC)=O M10028553P [2,0,0,0,0,0|2,0,0]=4 78 B5R0.3 CCC(NO)=N M10205861P [2,0,0,0,0,0|2,0,0]=4 79 B5R0.3 O=C(CO)CO M10002465P [2,0,0,0,0,0|1,0,1]=4 80 B5R0.3 O=C(OC)C=O M10023106P [2,0,0,0,0,0|1,0,0]=3 81 B5R0.5 C=C(F)C(O)=O M10010638P [2,0,0,0,0,0|1,0,1]=4 82 B5R0.5 CC(C(C)=C)=O M10021132P [2,0,0,0,0,0|2,0,0]=4 83 B5R0.5 CC(C([O-])=O)=C M10077430P [2,0,0,0,0,0|1,0,1]=4 84 B5R0.5 CC(C([O-])=O)=C M10097056P [2,0,0,0,0,0|1,0,1]=4 85 B5R0.5 CC(C)C([O-])=O M10209916P [2,0,0,0,0,0|0,0,1]=3 86 B5R0.5 CC(F)C(O)=O M10083620P [2,0,0,0,0,0|1,0,0]=3 87 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [2,0,0,0,0,0|2,0,0]=4 88 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [2,0,0,0,0,0|1,0,0]=3 89 B5R0.5 C[C@@H](O)C(O)=O M10114112P [2,0,0,0,0,0|1,0,0]=3 90 B5R0.5 C[C@H](Br)C(O)=O M10217830P [2,0,0,0,0,0|1,0,0]=3 91 B5R0.5 O=C(C)C([O-])=O M10204094P [2,0,0,0,0,0|0,0,1]=3 92 B5R0.5 O=C(O)C(Br)Cl M10077985P [2,0,0,0,0,0|2,0,0]=4 93 B5R0.5 O=C(O)C(O)=O M10094285P [2,0,0,0,0,0|1,0,0]=3 94 B5R0.5 O=C([O-])C([O-])=O M10013989P [2,0,0,0,0,0|1,0,1]=4 95 B5R0.5 O=C([O-])C([O-])=O M10082392P [2,0,0,0,0,0|1,0,1]=4 96 B5R0.5 O=C([O-])C([O-])=O M10193068P [2,0,0,0,0,0|1,0,1]=4 97 B5R0.5 O=C([O-])C([O-])=O M10211923P [2,0,0,0,0,0|1,0,1]=4 98 B5R0.5 O=C([O-])C([O-])=O M10271683P [2,0,0,0,0,0|1,0,1]=4 99 B5R0.5 OC(C)C([O-])=O M10140216P [2,0,0,0,0,0|1,0,1]=4 100 B5R0.5 OC(C)C([O-])=O M10189588P [2,0,0,0,0,0|1,0,1]=4 101 B5R0.5 [O-]C(C)C([O-])=O M10249277P [2,0,0,0,0,0|1,0,1]=4 102 B7R0.2 CC(N)CC(OC)=O M10083532P [1,1,0,0,0,0|1,0,1]=4 103 B7R0.2 CC(O)CC(OC)=O M10031579P [1,1,0,0,0,0|1,0,1]=4 104 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [1,1,0,0,0,0|1,0,1]=4 105 B7R0.2 O=C(Cl)OC(C)CC M10149751P [1,1,0,0,0,0|2,0,0]=4 106 B7R0.2 O=C(NC(C)C)CBr M10460688P [1,1,0,0,0,0|2,0,0]=4 107 B7R0.2 O=C(NC(C)C)CN M10428027P [1,1,0,0,0,0|2,0,0]=4 108 B7R0.2 O=C(O)CC(O)CN M10190010P [1,1,0,0,0,0|1,0,1]=4 109 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [1,1,0,0,0,0|1,0,1]=4 110 B7R0.2 O=C(OC(C)C)CCl M10003254P [1,1,0,0,0,0|2,0,0]=4 111 B7R0.2 OCC(OC(C)C)=O M10016659P [1,1,0,0,0,0|1,0,0]=3 112 B7R0.9 CC(C)(N)CC(O)=O M10016757P [1,1,0,0,0,0|0,0,1]=3 113 B7R0.9 CC(C)(N)CC(O)=O M10897138P [1,1,0,0,0,0|0,0,1]=3 114 B7R0.9 CC(C)(O)CC(O)=O M10016759P [1,1,0,0,0,0|0,0,1]=3 115 B7R0.9 CC(C)(O)CC([O-])=O M12004457P [1,1,0,0,0,0|0,0,2]=4 116 B7R0.9 CC(C)=CC(C)(C)C M10003432P [1,1,0,0,0,0|2,0,0]=4 117 B7R0.9 CC(CC(C)(S)C)=O M10163133P [1,1,0,0,0,0|1,0,1]=4 118 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,1,0,0,0,0|1,0,0]=3 119 B7R0.5 CC(C)C(OCCl)=O M10342363P [1,1,0,0,0,0|1,0,1]=4 120 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,1,0,0,0,0|1,0,1]=4 121 B7R0.5 CCCC(C)C(O)=O M10209692P [1,1,0,0,0,0|1,0,1]=4 122 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [1,1,0,0,0,0|1,0,0]=3 123 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [1,1,0,0,0,0|1,0,1]=4 124 B7R0.5 O=C(O)C(Cl)COC M10045189P [1,1,0,0,0,0|1,0,1]=4 125 B7R0.5 O=C(O)C(F)CCN M10193859P [1,1,0,0,0,0|1,0,1]=4 126 B7R0.5 O=C(O)C(N)CCN M10024859P [1,1,0,0,0,0|1,0,1]=4 127 B7R0.5 O=C(O)C(OCC)=O M10016281P [1,1,0,0,0,0|0,0,0]=2 128 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [1,1,0,0,0,0|1,0,1]=4 129 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [1,1,0,0,0,0|1,0,1]=4 130 B7R0.5 O=C(O)[C@H](N)COC M10505436P [1,1,0,0,0,0|1,0,1]=4 131 B7R0.5 O=C(O)[C@H](N)COC M10505437P [1,1,0,0,0,0|1,0,1]=4 132 B7R0.5 O=C(OCC)C(N)=O M10016280P [1,1,0,0,0,0|1,0,0]=3 133 B7R0.10 C=C(CBr)C(OC)=O M10061142P [1,1,0,0,0,0|2,0,0]=4 134 B7R0.10 C=C(CCl)C(OC)=O M10023089P [1,1,0,0,0,0|2,0,0]=4 135 B7R0.10 C=C(CO)C(OC)=O M10137156P [1,1,0,0,0,0|2,0,0]=4 136 B7R0.10 CCC(C)C(C)C=O M10218111P [1,1,0,0,0,0|1,0,1]=4 137 B7R0.10 O=C([C@@H](O)CO)CO M10013403P [1,1,0,0,0,0|1,0,1]=4 138 B7R0.13 CC[C@@](C)(N)C(O)=O M10050652P [1,1,0,0,0,0|1,0,1]=4 139 B7R0.13 CC[C@](C)(N)C(O)=O M10015239P [1,1,0,0,0,0|1,0,1]=4 140 B7R0.14 CC(C)(C)C(C#N)=O M10249850P [1,1,0,0,0,0|1,0,1]=4 141 B7R0.14 CC(C)(C)C(NN)=O M10249686P [1,1,0,0,0,0|2,0,0]=4 142 B7R0.14 CC(C)(C)C(OC)=O M10015374P [1,1,0,0,0,0|2,0,0]=4 143 B9R0.57 C=C(C)C(OC(C)(C)C)=O M10014814P [0,1,0,0,0,1|2,0,0]=4 144 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(O)=O M10112428P [0,1,0,0,0,1|0,0,2]=4 145 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(O)=O M10512441P [0,1,0,0,0,1|0,0,2]=4 146 B9R0.6 CC(C(C(OCC)=O)=O)=O M10035324P [0,2,0,0,0,0|1,0,1]=4 147 B9R0.6 CC(C)C(C(OCC)=O)=O M10164737P [0,2,0,0,0,0|0,0,0]=2 148 B9R0.29 CC[C@H](C)[C@H](NC)C(O)=O M10060277P [0,2,0,0,0,0|1,0,1]=4 149 B9R0.41 CCC(CC)[C@@H](N)C(O)=O M10130394P [0,2,0,0,0,0|1,0,1]=4 150 B9R0.41 CCC(CC)[C@H](N)C(O)=O M10130389P [0,2,0,0,0,0|1,0,1]=4 151 B7R1.2 CC1OS(OC1)=O M10031271P [1,0,0,1,0,0|2,0,0]=4 152 B7R1.2 N[C@H]1COC(C1)=O M10174878P [1,0,0,1,0,0|1,0,1]=4 153 B7R1.2 O=C1OC(CO1)C M10003516P [1,0,0,1,0,0|1,0,0]=3 154 B7R1.2 O=C1OCC(Cl)O1 M10058922P [1,0,0,1,0,0|2,0,0]=4 155 B7R1.2 O=C1OCC(F)O1 M10694293P [1,0,0,1,0,0|2,0,0]=4 156 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [1,0,0,1,0,0|1,0,0]=3 157 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [1,0,0,1,0,0|1,0,1]=4 158 B7R1.4 C=C1CCOC1=O M10013811P [1,0,0,1,0,0|1,0,0]=3 159 B7R1.4 CC1=CCCC1=O M10027183P [1,0,0,1,0,0|2,0,0]=4 160 B7R1.4 O=C1C(C)CCC1 M10027182P [1,0,0,1,0,0|1,0,1]=4 161 B7R1.18 O=C(C1NCC1)O M10164146P [1,0,0,1,0,0|1,0,1]=4 162 B7R1.18 O=C(C1OCC1)O M10006194P [1,0,0,1,0,0|0,0,2]=4 163 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [1,0,0,1,0,0|1,0,1]=4 164 B7R1.18 O=C([C@H]1NCC1)O M10875068P [1,0,0,1,0,0|1,0,1]=4 165 B9R1.35 O=C1OC[C@H](C(C)C)N1 M10146629P [0,0,0,1,0,1|1,0,1]=4 166 B9R1.38 O=C1NC(C(O1)(C)C)=O M10018657P [0,0,0,1,0,1|0,0,0]=2 167 B9R1.69 O=C1C(N)CCC(N1)=O M10042789P [0,0,0,1,0,1|2,0,0]=4 168 B9R1.69 O=C1C(N)CCC(N1)=O M11187066P [0,0,0,1,0,1|2,0,0]=4 169 B9R1.137 CC(CC(C1CC1)=O)=O M10170892P [0,0,0,1,0,1|1,0,0]=3 170 B9R1.37 O=C1C(C(C)C(C)C1)=O M10124286P [0,1,0,1,0,0|1,0,0]=3 171 B9R1.37 O=C1C(C(C)CC1C)=O M10124287P [0,1,0,1,0,0|1,0,0]=3 172 B9R1.138 O=C1OCC(C)(C)[C@@H]1O M10072911P [0,1,0,1,0,0|0,0,2]=4 173 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [1,0,0,0,0,1|0,0,0]=2 174 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [1,0,0,0,0,1|2,0,0]=4 175 B7R0.6 C[S+](CCC(O)=O)C M10062116P [1,0,0,0,0,1|1,0,1]=4 176 B7R0.6 O=C(Cl)OCC(C)C M10013714P [1,0,0,0,0,1|1,0,1]=4 177 B7R0.6 O=C(O)CCN(C)C M10133339P [1,0,0,0,0,1|1,0,1]=4 178 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [0,0,0,0,0,2|1,0,1]=4 179 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [0,0,0,0,0,2|1,0,1]=4 180 B9R0.7 O=C(O)CNC(C(C)=C)=O M10180716P [0,0,0,0,0,2|0,0,2]=4 181 B9R0.53 CC(C)CC(N)CC(O)=O M10056453P [0,0,0,0,0,2|1,0,1]=4