0 B7R0.5 CC(Br)C(OCC)=O M10013455P [0,0,0,0,0,0|1,0,0]=1 1 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,0,0,0,0,0|1,1,1]=3 2 B7R0.5 CC(C)C(OCCl)=O M10342363P [0,0,0,0,0,0|2,0,0]=2 3 B7R0.5 CC(S)C(OCC)=O M10162587P [0,0,0,0,0,0|0,0,0]=0 4 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [0,0,0,0,0,0|1,0,0]=1 5 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [0,0,0,0,0,0|0,1,0]=1 6 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,0,0,0,0,0|1,1,1]=3 7 B7R0.5 O=C(OCC)C(N)=O M10016280P [0,0,0,0,0,0|1,1,1]=3 8 B7R0.5 O=C(OCC)N(Cl)Cl M10125853P [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 C=CC(NCC)=O M10081542P [1,0,0,0,0,0|1,0,2]=4 10 B6R0.1 C=CC(OCC)=O M10186126P [1,0,0,0,0,0|0,0,2]=3 11 B6R0.1 CC#CC(OC)=O M10179372P [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCCC(NN)=O M10055378P [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 C\C=C\C(OC)=O M10156893P [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 O=C(C#N)OCC M10016649P [1,0,0,0,0,0|1,0,1]=3 15 B6R0.1 O=C(OC)CCN M10060379P [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 O=C(OC=C)CCl M10186320P [1,0,0,0,0,0|1,0,2]=4 17 B6R0.1 O=C(OCC)CBr M10003242P [1,0,0,0,0,0|1,0,0]=2 18 B6R0.1 O=C(OCC)CN M10011247P [1,0,0,0,0,0|1,0,0]=2 19 B6R0.3 C=C(F)C(OC)=O M10042642P [1,0,0,0,0,0|1,0,2]=4 20 B6R0.3 CC(C(CBr)=O)=O M10070633P [1,0,0,0,0,0|1,1,1]=4 21 B6R0.3 CC(C(NC)=O)=C M10058367P [1,0,0,0,0,0|2,0,1]=4 22 B6R0.3 CC(C)C(OC)=O M10013809P [1,0,0,0,0,0|1,0,0]=2 23 B6R0.3 CC(O)C(OC)=O M10013810P [1,0,0,0,0,0|0,1,0]=2 24 B6R0.3 C[C@H](O)C(OC)=O M10199944P [1,0,0,0,0,0|0,1,0]=2 25 B6R0.3 O=C(CBr)C(Br)Br M10054834P [1,0,0,0,0,0|3,0,0]=4 26 B6R0.3 O=C(N(C)C)CBr M10076656P [1,0,0,0,0,0|3,0,0]=4 27 B6R0.3 O=C(N(C)C)CN M10037195P [1,0,0,0,0,0|3,0,0]=4 28 B6R0.3 O=C(N(C)C)CN M10446751P [1,0,0,0,0,0|3,0,0]=4 29 B6R0.3 O=C(OC)C(F)F M10010713P [1,0,0,0,0,0|2,0,0]=3 30 B8R0.3 C=C(CBr)C(OCC)=O M10149618P [0,1,0,0,0,0|1,0,1]=3 31 B8R0.3 C=C(CO)C(OCC)=O M10111430P [0,1,0,0,0,0|1,0,1]=3 32 B8R0.3 CCC(C(OCC)=O)=O M10139497P [0,1,0,0,0,0|0,1,1]=3 33 B8R0.3 N[C@H](CC)C(OCC)=O M10388706P [0,1,0,0,0,0|1,0,0]=2 34 B8R0.3 O=C(OCC)C(NN)=O M10226438P [0,1,0,0,0,0|1,1,1]=4 35 B8R0.8 CC(O)C(OCCC)=O M10016208P [0,1,0,0,0,0|0,1,0]=2 36 B8R0.8 C[C@H](N)C(CCCC)=O M10784855P [0,1,0,0,0,0|2,0,0]=3 37 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [0,1,0,0,0,0|0,1,0]=2 38 B8R0.14 CC(C)(C)C(OCC)=O M10058723P [0,1,0,0,0,0|1,0,0]=2 39 B8R0.14 CC(C)(C)C(OCI)=O M10268601P [0,1,0,0,0,0|2,0,0]=3 40 B8R0.14 CC(F)(F)C(OCC)=O M10203528P [0,1,0,0,0,0|1,0,0]=2 41 B8R0.14 O=C(OCC)C(F)(F)I M10109464P [0,1,0,0,0,0|2,0,0]=3 42 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,1,0,0,0,0|1,1,1]=4 43 B8R0.23 CC(C(NC(C)C)=O)=C M10126221P [0,1,0,0,0,0|2,0,1]=4 44 B8R0.23 C[C@@H](N)C(OC(C)C)=O M10240042P [0,1,0,0,0,0|1,0,0]=2 45 B8R1.5 O=C1C(Br)COCC1 M10633741P [0,0,0,1,0,0|3,0,0]=4 46 B8R1.5 O=C1C(C)CCCC1 M10014758P [0,0,0,1,0,0|2,0,0]=3 47 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [0,0,0,1,0,0|2,0,0]=3 48 B8R1.5 O=C1C(N)CCCC1 M10098058P [0,0,0,1,0,0|2,0,0]=3 49 B8R0.5 CC(N)CC(OCC)=O M10070569P [0,0,0,0,0,1|1,0,0]=2 50 B8R0.5 C[C@H](O)CC(OCC)=O M10290748P [0,0,0,0,0,1|0,1,0]=2 51 B8R0.5 O=C(OCC)CC(N)=S M10125318P [0,0,0,0,0,1|1,0,2]=4 52 B5R0.1 C=C(OCC)C M10023218P [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CC(CCCl)=O M10089400P [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CC(N)CCC M10393249P [2,0,0,0,0,0|1,0,1]=4 56 B5R0.1 CC(OC=O)=O M10041862P [2,0,0,0,0,0|1,0,1]=4 57 B5R0.1 CC(OCC)=N M10041195P [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 C[C@@H](O)COC M10067779P [2,0,0,0,0,0|0,1,1]=4 59 B5R0.1 C[C@H](O)COC M10194416P [2,0,0,0,0,0|0,1,1]=4 60 B5R0.1 C[SiH](OCC)C M10133661P [2,0,0,0,0,0|1,1,0]=4 61 B5R0.1 ClCOC(C)=O M10016791P [2,0,0,0,0,0|1,0,0]=3 62 B5R0.1 NC(OCC)=N M10213773P [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 O=C(Cl)OCCl M10173503P [2,0,0,0,0,0|2,0,0]=4 64 B5R0.2 CCOCCCl M10016975P [2,0,0,0,0,0|1,0,1]=4 65 B5R0.2 CC[Se][Se]CC M10016980P [2,0,0,0,0,0|1,1,0]=4 66 B5R0.2 C\C=C\OCC M10023285P [2,0,0,0,0,0|0,0,1]=3 67 B5R0.3 CCC(Br)CC M10036560P [2,0,0,0,0,0|1,0,1]=4 68 B5R0.3 CCC(C)CS M10037434P [2,0,0,0,0,0|1,0,1]=4 69 B5R0.3 CCC(CBr)=O M10021171P [2,0,0,0,0,0|1,0,0]=3 70 B5R0.3 CCC(N)CC M10016218P [2,0,0,0,0,0|1,0,1]=4 71 B5R0.3 CCC(NC)=O M10028553P [2,0,0,0,0,0|1,0,0]=3 72 B5R0.3 CC[Al](Cl)CC M10002450P [2,0,0,0,0,0|2,0,0]=4 73 B5R0.3 O=C(CBr)CBr M10204064P [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 O=C(CO)CO M10002465P [2,0,0,0,0,0|1,1,0]=4 75 B5R0.3 O=C(OC)C=O M10023106P [2,0,0,0,0,0|0,1,1]=4 76 B5R0.3 O=C(OC)CBr M10002471P [2,0,0,0,0,0|1,0,0]=3 77 B5R0.3 O=C(OC)OC M10016226P [2,0,0,0,0,0|1,0,0]=3 78 B5R0.3 O=S(OC)OC M10016229P [2,0,0,0,0,0|2,0,0]=4 79 B5R0.5 CC(C(C)=C)=O M10021132P [2,0,0,0,0,0|1,0,1]=4 80 B5R0.5 CC(C)C([O-])=O M10209916P [2,0,0,0,0,0|1,0,1]=4 81 B5R0.5 CC(F)C(O)=O M10083620P [2,0,0,0,0,0|1,0,0]=3 82 B5R0.5 CC(S)C(C)C M10039796P [2,0,0,0,0,0|1,0,1]=4 83 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [2,0,0,0,0,0|2,0,0]=4 84 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [2,0,0,0,0,0|1,0,0]=3 85 B5R0.5 C[C@@H](O)C(O)=O M10114112P [2,0,0,0,0,0|0,1,0]=3 86 B5R0.5 C[C@@H](O)[C@@H](S)C M10234757P [2,0,0,0,0,0|0,0,2]=4 87 B5R0.5 C[C@H](Br)C(O)=O M10217830P [2,0,0,0,0,0|1,0,0]=3 88 B5R0.5 O=C(O)C(Br)Cl M10077985P [2,0,0,0,0,0|2,0,0]=4 89 B5R0.5 OC(C)C([O-])=O M10140216P [2,0,0,0,0,0|0,1,1]=4 90 B5R0.5 OC(C)C([O-])=O M10189588P [2,0,0,0,0,0|0,1,1]=4 91 B5R0.5 [O-]C(C)C([O-])=O M10249277P [2,0,0,0,0,0|0,1,1]=4 92 B7R0.2 CC(N)CC(OC)=O M10083532P [1,1,0,0,0,0|2,0,0]=4 93 B7R0.2 CC(O)CC(OC)=O M10031579P [1,1,0,0,0,0|2,0,0]=4 94 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [1,1,0,0,0,0|2,0,0]=4 95 B7R0.2 O=C(NC(C)C)CBr M10460688P [1,1,0,0,0,0|2,0,0]=4 96 B7R0.2 O=C(NC(C)C)CN M10428027P [1,1,0,0,0,0|2,0,0]=4 97 B7R0.2 O=C(OC(C)C)CCl M10003254P [1,1,0,0,0,0|1,0,0]=3 98 B7R0.2 OCC(OC(C)C)=O M10016659P [1,1,0,0,0,0|0,1,0]=3 99 B7R0.3 O=C(OC)CCCN M10119950P [1,1,0,0,0,0|2,0,0]=4 100 B7R0.3 O=C(OCC=C)CCl M10049025P [1,1,0,0,0,0|1,0,1]=4 101 B7R0.3 O=C(OCCC)CBr M10226573P [1,1,0,0,0,0|1,0,0]=3 102 B7R0.7 C=C(OCC)OCC M10046654P [1,1,0,0,0,0|1,0,0]=3 103 B7R0.7 CCCC(OCCl)=O M10221194P [1,1,0,0,0,0|1,0,0]=3 104 B7R0.7 C\C=C\C(OCC)=O M10116065P [1,1,0,0,0,0|0,0,1]=3 105 B7R0.7 O=C(CCCl)CCCl M10055903P [1,1,0,0,0,0|2,0,0]=4 106 B7R0.7 O=C(OCC)C=[N+]=[N-] M10016667P [1,1,0,0,0,0|1,0,1]=4 107 B7R0.7 O=C(OCC)CCS M10076471P [1,1,0,0,0,0|0,0,0]=2 108 B7R0.7 O=C(OCC)CNN M10098052P [1,1,0,0,0,0|1,0,0]=3 109 B7R0.7 O=C(OCC)\C=C\I M10215517P [1,1,0,0,0,0|0,0,2]=4 110 B7R0.7 O=C(OCCl)OCC M10226366P [1,1,0,0,0,0|1,0,0]=3 111 B7R0.7 O=S(OCC)OCC M10016673P [1,1,0,0,0,0|1,0,0]=3 112 B7R0.14 CC(C)(C)C(OC)=O M10015374P [1,1,0,0,0,0|1,0,0]=3 113 B7R0.14 CCC(C(F)(F)F)=O M10009747P [1,1,0,0,0,0|2,0,0]=4 114 B9R0.6 CC(C(C(OCC)=O)=O)=O M10035324P [0,1,0,0,0,1|0,1,1]=4 115 B9R0.6 CC(C(Cl)C(OCC)=O)=O M10015794P [0,1,0,0,0,1|0,1,1]=4 116 B9R0.6 CC(C(N)C(OCC)=O)=O M10164762P [0,1,0,0,0,1|0,1,1]=4 117 B9R0.6 CC(C)C(C(OCC)=O)=O M10164737P [0,1,0,0,0,1|1,0,0]=3 118 B9R0.6 C[C@@H](O)[C@H](N)C(OCC)=O M10241292P [0,1,0,0,0,1|0,1,0]=3 119 B9R0.34 O=C(OCC)CC(CBr)=O M10121526P [0,1,0,0,0,1|0,1,1]=4 120 B9R0.34 O=C(OCC)CC(NC)=O M10443263P [0,1,0,0,0,1|0,1,1]=4 121 B9R0.34 O=C(OCC)CC(O)CCl M10115530P [0,1,0,0,0,1|0,1,0]=3 122 B9R0.44 CC(C)(N)CC(OCC)=O M10502863P [0,1,0,0,0,1|1,0,0]=3 123 B9R0.44 CC(C)(O)CC(OCC)=O M10154399P [0,1,0,0,0,1|0,1,0]=3 124 B9R0.19 O=C(OCC)C(C)(C)CN M10478704P [0,2,0,0,0,0|1,0,0]=3 125 B9R0.35 CCCC(C(O)CCC)=O M10012297P [0,2,0,0,0,0|1,1,0]=4 126 B9R0.35 CCCC(C(OCC)=O)=O M10254180P [0,2,0,0,0,0|0,1,1]=4 127 B9R0.35 O=C(OCC)C(Cl)OCC M10222370P [0,2,0,0,0,0|1,0,0]=3 128 B9R0.37 CCC(C#N)C(OCC)=O M10033717P [0,2,0,0,0,0|1,0,0]=3 129 B9R0.37 O=C(OCC)C(C=O)C=O M10479166P [0,2,0,0,0,0|0,1,1]=4 130 B9R0.7 C=C(C)C(OCC(O)C)=O M11208097P [0,2,0,0,0,0|1,0,1]=4 131 B9R0.47 CC(C(OCCCC)=O)=O M10165130P [0,2,0,0,0,0|0,1,1]=4 132 B9R0.47 C[C@H](O)C(OCCCC)=O M10223932P [0,2,0,0,0,0|0,1,0]=3 133 B9R0.10 CC(C)(Br)C(OC(C)C)=O M10259426P [0,2,0,0,0,0|1,0,0]=3 134 B9R0.10 O=C(OC(C)C)C(F)(F)F M10010129P [0,2,0,0,0,0|2,0,0]=4 135 B9R0.57 C=C(C)C(OC(C)(C)C)=O M10014814P [0,2,0,0,0,0|1,0,1]=4 136 B9R0.57 CC(Br)C(OC(C)(C)C)=O M10238826P [0,2,0,0,0,0|1,0,0]=3 137 B7R1.1 CCC1=NCCO1 M10115051P [1,0,0,1,0,0|1,0,0]=3 138 B7R1.2 CC1OS(OC1)=O M10031271P [1,0,0,1,0,0|2,0,0]=4 139 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,1,0,0|2,0,0]=4 140 B7R1.2 O=C1OC(C)=CC1 M10015036P [1,0,0,1,0,0|0,0,2]=4 141 B7R1.2 O=C1OC(CO1)C M10003516P [1,0,0,1,0,0|1,0,0]=3 142 B7R1.2 O=C1OCC(Cl)O1 M10058922P [1,0,0,1,0,0|2,0,0]=4 143 B7R1.2 O=C1OCC(F)O1 M10694293P [1,0,0,1,0,0|2,0,0]=4 144 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [1,0,0,1,0,0|1,0,0]=3 145 B7R1.3 ClC1=CCCCC1 M10208207P [1,0,0,1,0,0|2,0,0]=4 146 B7R1.3 ClC1CCCCO1 M10051478P [1,0,0,1,0,0|1,0,1]=4 147 B7R1.3 O=C1CCNCC1 M10246538P [1,0,0,1,0,0|2,0,0]=4 148 B7R1.3 O=C1CCNCC1 M10247465P [1,0,0,1,0,0|2,0,0]=4 149 B7R1.3 O=C1CCNCC1 M10857977P [1,0,0,1,0,0|2,0,0]=4 150 B7R1.3 O=C1CCOCC1 M10179636P [1,0,0,1,0,0|2,0,0]=4 151 B7R1.3 O=C1CNCCC1 M10342345P [1,0,0,1,0,0|2,0,0]=4 152 B7R1.3 O=C1NCCCN1 M10037131P [1,0,0,1,0,0|2,0,0]=4 153 B7R1.3 O=C1OCCOC1 M10050467P [1,0,0,1,0,0|0,1,0]=3 154 B7R1.3 O=S1CCCCC1 M10067807P [1,0,0,1,0,0|2,0,0]=4 155 B7R1.4 C=C1CCOC1=O M10013811P [1,0,0,1,0,0|0,0,2]=4 156 B7R1.4 O=C1C(Br)CCC1 M10172483P [1,0,0,1,0,0|2,0,0]=4 157 B7R1.4 O=C1C(C)CCC1 M10027182P [1,0,0,1,0,0|1,0,0]=3 158 B7R1.4 O=C1C(Cl)CCC1 M10018599P [1,0,0,1,0,0|2,0,0]=4 159 B7R1.4 O=C1NCCC1O M10135336P [1,0,0,1,0,0|1,1,0]=4 160 B7R1.4 O=C1NCC[C@@H]1N M10060287P [1,0,0,1,0,0|2,0,0]=4 161 B7R1.4 O=C1NCC[C@@H]1N M10288485P [1,0,0,1,0,0|2,0,0]=4 162 B7R1.4 O=C1NCC[C@H]1O M10468150P [1,0,0,1,0,0|1,1,0]=4 163 B9R1.34 O=C1CC(C)NC(C)C1 M11091903P [0,0,0,1,0,1|2,0,0]=4 164 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,0,0,1,0,1|0,1,0]=3 165 B9R1.37 O=C1C(C(C)CC1C)=O M10124287P [0,1,0,1,0,0|2,0,0]=4 166 B9R1.5 O=C1NCCCCC1N M10018058P [0,1,0,1,0,0|2,0,0]=4 167 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [0,1,0,1,0,0|2,0,0]=4 168 B9R1.15 O=C1NCCCC1OC M10188359P [0,1,0,1,0,0|1,1,0]=4 169 B9R1.73 O=C(C1CCC1)OCC M10133979P [0,1,0,1,0,0|1,0,0]=3 170 B9R1.73 O=C(C1CNC1)OCC M10874942P [0,1,0,1,0,0|1,0,0]=3 171 B9R1.40 O=C1C(C)(C)CCCC1 M10028759P [0,1,0,1,0,0|2,0,0]=4 172 B9R0.48 CC(C)CCC(OCC)=O M10189485P [0,0,0,0,0,2|1,0,0]=3 173 B9R0.48 O=C(OCC)CCN(C)C M10164358P [0,0,0,0,0,2|2,0,0]=4 174 B9R0.48 O=C(OCC)\C=C\N(C)C M10027031P [0,0,0,0,0,2|2,0,0]=4