0 B6R0.1 C(C#N)C(=O)NN C117444 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 C(C(=O)NCO)Cl C169257 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 C=COC(=O)CCl V162952 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CC#CC(=O)OC M158860 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CC(COC)OC D155537 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.1 CC=CC(=O)OC M109486 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CCC(=O)C=CC E404567 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.1 CCC(=O)C=CC H111425 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.1 CCC(=O)OC=C V162937 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 CCC(=O)OCC E103457 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CCC(=O)OCC E103458 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCC(=O)OCC E103459 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CCC(=O)OCC E103460 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CCC(=O)OCC E278958 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.1 CCC(=O)SCC S133123 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCC(C)OCC S161060 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 CCC(CC#C)O H157361 [0,0,0,0,0,0|1,0,3]=4 17 B6R0.1 CCC(CCN)N D155073 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CCC(COC)N A151357 [0,0,0,0,0,0|1,1,1]=3 19 B6R0.1 CCC(COC)O M158749 [0,0,0,0,0,0|0,1,2]=3 20 B6R0.1 CCCC(=O)CC H106710 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.1 CCCC(=O)NN B183968 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.1 CCCC(=O)OC M100038 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.1 CCCC(=O)OC M100039 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.1 CCCC(=O)OC M100040 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.1 CCCC(=O)SC M102997 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.1 CCCC(C)CC M158521 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.1 CCCC(C)CO M113625 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.1 CCCC(CC)Br B152444 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.1 CCCC(CC)Cl C153662 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.1 CCCC(CC)O H133955 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.1 CCCC(CO)N D333561 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 CCCC(CO)N I168777 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.1 CCCC(CO)O P108068 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.1 CCNC(=O)C=C N136947 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.1 CCOC(=O)C#C E107738 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.1 CCOC(=O)C#C E357742 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.1 CCOC(=O)C#N E106582 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.1 CCOC(=O)C#N E298724 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.1 CCOC(=O)C=C E112943 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.1 CCOC(=O)C=C E112944 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.1 CCOC(=O)C=C E112945 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.1 CCOC(=O)C=C E465763 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.1 CCOC(=O)C=O E106246 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.1 CCOC(=O)CBr E106090 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.1 CCOC(=O)CCl E105166 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.1 CCOC(=O)CCl E105167 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.1 CCOC(=O)CF E107563 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.1 CCOC(=O)CN G105477 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.1 CCOC(=O)CO E101730 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.1 CCOC(=O)CS E109439 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.1 CCOC(=O)NN E133700 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.1 CCOC(=O)OC E110111 [0,0,0,0,0,0|3,0,0]=3 53 B6R0.1 CCOC(=O)OC E433135 [0,0,0,0,0,0|3,0,0]=3 54 B6R0.1 CNC(=O)CC#N C185694 [0,0,0,0,0,0|3,0,0]=3 55 B6R0.1 CNCC(CO)O M157918 [0,0,0,0,0,0|2,0,2]=4 56 B6R0.1 COC(=O)C=CI E589680 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.1 COC(=O)CC#N M110112 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.1 COC(=O)CC=C M341924 [0,0,0,0,0,0|2,0,1]=3 59 B6R0.1 COC(=O)CCBr M158830 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.1 COC(=O)CCN A104532 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.1 COC(=O)CCO D304149 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.1 COC(=O)CCS M107600 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.1 COC(=O)CSC M120419 [0,0,0,0,0,0|1,0,0]=1 64 B6R0.1 COC(=O)C[N+]#[C-] M157837 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.1 COC(=O)OCCl C347908 [0,0,0,0,0,0|4,0,0]=4 66 B6R0.1 COCC(=O)OC M106398 [0,0,0,0,0,0|1,1,0]=2 67 B6R0.1 COCC(CCl)O C153895 [0,0,0,0,0,0|1,1,2]=4 68 B6R0.1 COCC(CN)O A479789 [0,0,0,0,0,0|1,1,2]=4 69 B6R0.1 COCC(CO)O M135227 [0,0,0,0,0,0|1,1,2]=4 70 B5R0.1 C#CCC(=O)O B168856 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 C(C#N)C(=O)N C101310 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 C(C#N)C(=O)O C105698 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.1 C(C#N)C(=O)[O-] S586305 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 C(C(=O)O)ON C109697 [1,0,0,0,0,0|2,1,0]=4 75 B5R0.1 C(CBr)C(=O)Cl B135557 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 C(CBr)C(=O)N B152335 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.1 C(CBr)C(=O)O B106081 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 C(CCl)C(=O)Cl C109466 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.1 C(CCl)C(=O)N C171099 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 C(CCl)C(=O)O C106515 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.1 C(CI)C(=O)O I157542 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 C(CN)C(=O)N B135870 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 C(CN)C(=O)O A105703 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.1 C(CN)C(=O)O A137901 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.1 C(CN)C(=O)O A494514 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.1 C(CO)C(=O)O H136635 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.1 C(CS)C(=O)O M103035 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.1 C(CS)C(=O)O M103036 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.1 C(CS)C(=O)O M590994 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.1 C=CCC(=O)O B152769 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.1 C=CCC(=O)O B152771 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 CC#CC(=O)O B113384 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 CC(=C)CCO M158231 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.1 CC(=O)CCO H106330 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.1 CC(=O)COC M158844 [1,0,0,0,0,0|0,1,0]=2 96 B5R0.1 CC(=O)NC=C N159504 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 CC(=O)NCO A151630 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.1 CC(=O)OC=C P101483 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.1 CC(=O)OC=C P101485 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.1 CC(=O)OC=C P101486 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 CC(=O)OC=C P301634 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 CC(=O)OC=C P304876 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.1 CC(=O)OC=C P304877 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 CC(=O)OC=C P304879 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.1 CC(=O)OC=C P304880 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 CC(=O)OC=C P304881 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 CC(=O)OC=C P432376 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.1 CC(=O)OC=C P489072 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 CC(=O)OC=C V104470 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.1 CC(=O)OC=C V104471 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.1 CC(=O)OC=C V104472 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.1 CC(=O)OCBr B122544 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.1 CC(=O)OCCl C194261 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.1 CC(CNC)O M587581 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.1 CC(COC)N M169973 [1,0,0,0,0,0|1,1,1]=4 116 B5R0.1 CC(COC)N S475332 [1,0,0,0,0,0|1,1,1]=4 117 B5R0.1 CC(COC)N S586466 [1,0,0,0,0,0|1,1,1]=4 118 B5R0.1 CC(COC)O M105264 [1,0,0,0,0,0|0,1,2]=4 119 B5R0.1 CC(COC)O M105265 [1,0,0,0,0,0|0,1,2]=4 120 B5R0.1 CC(COC)O M105266 [1,0,0,0,0,0|0,1,2]=4 121 B5R0.1 CC(COC)O M299436 [1,0,0,0,0,0|0,1,2]=4 122 B5R0.1 CC(COC)O R160841 [1,0,0,0,0,0|0,1,2]=4 123 B5R0.1 CC(COC)O S161357 [1,0,0,0,0,0|0,1,2]=4 124 B5R0.1 CC=CC(=O)C P139100 [1,0,0,0,0,0|1,0,1]=3 125 B5R0.1 CC=CC(=O)Cl C102055 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.1 CC=CC(=O)Cl C153881 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.1 CC=CC(=O)N C153720 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 CC=CC(=O)O C104149 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 CC=CC(=O)O C104150 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 CCC=C(C)C M158233 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 CCCC(=C)C M158211 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.1 CCCC(=O)C P103780 [1,0,0,0,0,0|1,0,0]=2 133 B5R0.1 CCCC(=O)C P103781 [1,0,0,0,0,0|1,0,0]=2 134 B5R0.1 CCCC(=O)C P103782 [1,0,0,0,0,0|1,0,0]=2 135 B5R0.1 CCCC(=O)C P103783 [1,0,0,0,0,0|1,0,0]=2 136 B5R0.1 CCCC(=O)Cl B108666 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.1 CCCC(=O)N B152329 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.1 CCCC(=O)O B110438 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.1 CCCC(=O)O B110439 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.1 CCCC(=O)O B110440 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.1 CCCC(=O)O B110442 [1,0,0,0,0,0|2,0,0]=3 142 B5R0.1 CCCC(=O)O B274612 [1,0,0,0,0,0|2,0,0]=3 143 B5R0.1 CCCC(=O)O B431361 [1,0,0,0,0,0|2,0,0]=3 144 B5R0.1 CCCC(=O)[O-] S102954 [1,0,0,0,0,0|2,0,0]=3 145 B5R0.1 CCCC(=O)[O-] S102956 [1,0,0,0,0,0|2,0,0]=3 146 B5R0.1 CCCC(=O)[O-] S346178 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.1 CCCC(=O)[O-] S421873 [1,0,0,0,0,0|2,0,0]=3 148 B5R0.1 CCCC(C)Br B400517 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.1 CCCC(C)C I157548 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.1 CCCC(C)C M105775 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.1 CCCC(C)C M105776 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.1 CCCC(C)C M105777 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.1 CCCC(C)C M105778 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.1 CCCC(C)C M137744 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.1 CCCC(C)Cl C467357 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.1 CCCC(C)N A151353 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.1 CCCC(C)O P103442 [1,0,0,0,0,0|1,0,2]=4 158 B5R0.1 CCCC(C)O P103443 [1,0,0,0,0,0|1,0,2]=4 159 B5R0.1 CCCC(C)O R138651 [1,0,0,0,0,0|1,0,2]=4 160 B5R0.1 CCCC(C)O S138580 [1,0,0,0,0,0|1,0,2]=4 161 B5R0.1 CCCN(C)C N404354 [1,0,0,0,0,0|3,0,0]=4 162 B5R0.1 CCC[N+](=O)[O-] N109053 [1,0,0,0,0,0|3,0,0]=4 163 B5R0.1 CCNC(=O)C I135660 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.1 CCNC(=O)N E105944 [1,0,0,0,0,0|3,0,0]=4 165 B5R0.1 CCOC(=N)C E132730 [1,0,0,0,0,0|3,0,0]=4 166 B5R0.1 CCOC(=O)C E116131 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.1 CCOC(=O)C E116132 [1,0,0,0,0,0|2,0,0]=3 168 B5R0.1 CCOC(=O)C E116133 [1,0,0,0,0,0|2,0,0]=3 169 B5R0.1 CCOC(=O)C E116134 [1,0,0,0,0,0|2,0,0]=3 170 B5R0.1 CCOC(=O)C E116135 [1,0,0,0,0,0|2,0,0]=3 171 B5R0.1 CCOC(=O)C E116136 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.1 CCOC(=O)C E116137 [1,0,0,0,0,0|2,0,0]=3 173 B5R0.1 CCOC(=O)C E116138 [1,0,0,0,0,0|2,0,0]=3 174 B5R0.1 CCOC(=O)C E116139 [1,0,0,0,0,0|2,0,0]=3 175 B5R0.1 CCOC(=O)C E116141 [1,0,0,0,0,0|2,0,0]=3 176 B5R0.1 CCOC(=O)C E116142 [1,0,0,0,0,0|2,0,0]=3 177 B5R0.1 CCOC(=O)C E119698 [1,0,0,0,0,0|2,0,0]=3 178 B5R0.1 CCOC(=O)C E141165 [1,0,0,0,0,0|2,0,0]=3 179 B5R0.1 CCOC(=O)C E302266 [1,0,0,0,0,0|2,0,0]=3 180 B5R0.1 CCOC(=O)C E432070 [1,0,0,0,0,0|2,0,0]=3 181 B5R0.1 CCOC(=O)N C266075 [1,0,0,0,0,0|3,0,0]=4 182 B5R0.1 CCOC(=O)N E424443 [1,0,0,0,0,0|3,0,0]=4 183 B5R0.1 CCOC(=O)N U108629 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.1 CCOC(=O)N U299635 [1,0,0,0,0,0|3,0,0]=4 185 B5R0.1 CCSC(=O)C E107950 [1,0,0,0,0,0|2,0,0]=3 186 B5R0.1 CCSC(=S)C E338928 [1,0,0,0,0,0|2,1,0]=4 187 B5R0.1 CNCC(=O)N S115899 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.1 CNCC(=O)O S102891 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.1 CNCC(=O)O S113893 [1,0,0,0,0,0|2,0,0]=3 190 B5R0.1 CNCC(=O)O S420541 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.1 CNCC(=O)[O-] S189142 [1,0,0,0,0,0|2,0,0]=3 192 B5R0.1 COCC(=O)Cl M124203 [1,0,0,0,0,0|1,1,0]=3 193 B5R0.1 COCC(=O)O M158057 [1,0,0,0,0,0|1,1,0]=3 194 B5R0.1 CSCC(=O)N M158330 [1,0,0,0,0,0|1,0,0]=2 195 B5R0.1 CSCC(=O)O M168970 [1,0,0,0,0,0|1,0,0]=2 196 B5R0.1 CSCS(=O)C M158415 [1,0,0,0,0,0|1,0,0]=2 197 B5R0.2 CC=CC=CC H113628 [1,0,0,0,0,0|1,0,2]=4 198 B5R0.2 CC=CCC#N P338284 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.2 CC=CCC=C H157263 [1,0,0,0,0,0|1,0,2]=4 200 B5R0.2 CC=CCC=C T162375 [1,0,0,0,0,0|1,0,2]=4 201 B5R0.2 CCC#CCC H157357 [1,0,0,0,0,0|1,0,2]=4 202 B5R0.2 CCC=CC#N P160478 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.2 CCC=CC=O T161487 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.2 CCC=CCC C153487 [1,0,0,0,0,0|1,0,1]=3 205 B5R0.2 CCC=CCC H157267 [1,0,0,0,0,0|1,0,1]=3 206 B5R0.2 CCC=CCC T162372 [1,0,0,0,0,0|1,0,1]=3 207 B5R0.2 CCC=CCO C153493 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.2 CCC=CCO T299958 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.2 CCCC#CC H157356 [1,0,0,0,0,0|1,0,2]=4 210 B5R0.2 CCCC=CC C153486 [1,0,0,0,0,0|1,0,1]=3 211 B5R0.2 CCCC=CC H157262 [1,0,0,0,0,0|1,0,1]=3 212 B5R0.2 CCCC=CC T162371 [1,0,0,0,0,0|1,0,1]=3 213 B5R0.2 CCCC=NO B152406 [1,0,0,0,0,0|3,0,0]=4 214 B5R0.2 CCCCC#C H106703 [1,0,0,0,0,0|1,0,2]=4 215 B5R0.2 CCCCC#N B100431 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.2 CCCCC#N B100432 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.2 CCCCC=C H109530 [1,0,0,0,0,0|1,0,2]=4 218 B5R0.2 CCCCC=C H109531 [1,0,0,0,0,0|1,0,2]=4 219 B5R0.2 CCCCC=C H109532 [1,0,0,0,0,0|1,0,2]=4 220 B5R0.2 CCCCC=C H109533 [1,0,0,0,0,0|1,0,2]=4 221 B5R0.2 CCCCC=O V103717 [1,0,0,0,0,0|2,0,1]=4 222 B5R0.2 CCCCCBr B104782 [1,0,0,0,0,0|2,0,1]=4 223 B5R0.2 CCCCCBr B305762 [1,0,0,0,0,0|2,0,1]=4 224 B5R0.2 CCCCCC H100107 [1,0,0,0,0,0|1,0,1]=3 225 B5R0.2 CCCCCC H109653 [1,0,0,0,0,0|1,0,1]=3 226 B5R0.2 CCCCCC H109654 [1,0,0,0,0,0|1,0,1]=3 227 B5R0.2 CCCCCC H109656 [1,0,0,0,0,0|1,0,1]=3 228 B5R0.2 CCCCCC H109659 [1,0,0,0,0,0|1,0,1]=3 229 B5R0.2 CCCCCC H119662 [1,0,0,0,0,0|1,0,1]=3 230 B5R0.2 CCCCCC H121283 [1,0,0,0,0,0|1,0,1]=3 231 B5R0.2 CCCCCC H140380 [1,0,0,0,0,0|1,0,1]=3 232 B5R0.2 CCCCCC H298923 [1,0,0,0,0,0|1,0,1]=3 233 B5R0.2 CCCCCC N431441 [1,0,0,0,0,0|1,0,1]=3 234 B5R0.2 CCCCCCl C109473 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.2 CCCCCCl C109474 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.2 CCCCCF F171115 [1,0,0,0,0,0|2,0,1]=4 237 B5R0.2 CCCCCI I104798 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.2 CCCCCN A105343 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.2 CCCCCN P292685 [1,0,0,0,0,0|2,0,1]=4 240 B5R0.2 CCCCCN P292697 [1,0,0,0,0,0|2,0,1]=4 241 B5R0.2 CCCCCN P292701 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.2 CCCCCN P494144 [1,0,0,0,0,0|2,0,1]=4 243 B5R0.2 CCCCCO N350217 [1,0,0,0,0,0|2,0,1]=4 244 B5R0.2 CCCCCO P108125 [1,0,0,0,0,0|2,0,1]=4 245 B5R0.2 CCCCCO P108126 [1,0,0,0,0,0|2,0,1]=4 246 B5R0.2 CCCCCO P108127 [1,0,0,0,0,0|2,0,1]=4 247 B5R0.2 CCCCCO P108128 [1,0,0,0,0,0|2,0,1]=4 248 B5R0.2 CCCCCO P108129 [1,0,0,0,0,0|2,0,1]=4 249 B5R0.2 CCCCCO P108130 [1,0,0,0,0,0|2,0,1]=4 250 B5R0.2 CCCCCS A100028 [1,0,0,0,0,0|2,0,1]=4 251 B5R0.2 CCCCOC B152821 [1,0,0,0,0,0|0,1,1]=3 252 B5R0.2 CCCCON O184596 [1,0,0,0,0,0|1,1,1]=4 253 B5R0.2 CCCCSC B152508 [1,0,0,0,0,0|0,0,1]=2 254 B5R0.2 CCCC[Sn]Cl B302420 [1,0,0,0,0,0|2,0,1]=4 255 B5R0.2 CCCNCC N159096 [1,0,0,0,0,0|2,0,0]=3 256 B5R0.2 CCCOCC E156162 [1,0,0,0,0,0|2,0,0]=3 257 B5R0.2 CCCSCC E134963 [1,0,0,0,0,0|2,0,0]=3 258 B5R0.2 CCCSSC M103114 [1,0,0,0,0,0|1,0,1]=3 259 B5R0.2 CCNCCN N138023 [1,0,0,0,0,0|3,0,0]=4 260 B5R0.2 CCNCCO E156112 [1,0,0,0,0,0|3,0,0]=4 261 B5R0.2 CCNCCO E301665 [1,0,0,0,0,0|3,0,0]=4 262 B5R0.2 CCNNCC D487275 [1,0,0,0,0,0|3,0,0]=4 263 B5R0.2 CCOC=CC E122346 [1,0,0,0,0,0|2,0,1]=4 264 B5R0.2 CCOCC=C A151091 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.2 CCOCCBr B152837 [1,0,0,0,0,0|3,0,0]=4 266 B5R0.2 CCOCCCl C153264 [1,0,0,0,0,0|3,0,0]=4 267 B5R0.2 CCOCCN E156296 [1,0,0,0,0,0|3,0,0]=4 268 B5R0.2 CCOCCO E110821 [1,0,0,0,0,0|3,0,0]=4 269 B5R0.2 CCOCCO E110822 [1,0,0,0,0,0|3,0,0]=4 270 B5R0.2 CCOCCO E118463 [1,0,0,0,0,0|3,0,0]=4 271 B5R0.2 CCSCCCl C102885 [1,0,0,0,0,0|3,0,0]=4 272 B5R0.2 CCSCCN E170901 [1,0,0,0,0,0|3,0,0]=4 273 B5R0.2 CCSCCN E300178 [1,0,0,0,0,0|3,0,0]=4 274 B5R0.2 CCSCCO E156428 [1,0,0,0,0,0|3,0,0]=4 275 B5R0.2 CCSSCC D140646 [1,0,0,0,0,0|3,0,0]=4 276 B5R0.2 CC[Se][Se]CC D155798 [1,0,0,0,0,0|3,0,0]=4 277 B5R0.2 CNCCCN N104493 [1,0,0,0,0,0|2,0,1]=4 278 B5R0.2 CNCCCO M133702 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.2 CNCCNC D106275 [1,0,0,0,0,0|2,0,1]=4 280 B5R0.2 CNCCOC N159090 [1,0,0,0,0,0|1,1,1]=4 281 B5R0.2 COCCCBr B136284 [1,0,0,0,0,0|1,1,1]=4 282 B5R0.2 COCCCCl C108061 [1,0,0,0,0,0|1,1,1]=4 283 B5R0.2 COCCCN M134485 [1,0,0,0,0,0|1,1,1]=4 284 B5R0.2 COCCCN M587821 [1,0,0,0,0,0|1,1,1]=4 285 B5R0.2 COCCCO M107732 [1,0,0,0,0,0|1,1,1]=4 286 B5R0.2 COCCOC D299631 [1,0,0,0,0,0|1,1,1]=4 287 B5R0.2 COCCOC E104387 [1,0,0,0,0,0|1,1,1]=4 288 B5R0.2 COCCOC E104388 [1,0,0,0,0,0|1,1,1]=4 289 B5R0.2 COCCOC E104391 [1,0,0,0,0,0|1,1,1]=4 290 B5R0.2 COCCOC E119676 [1,0,0,0,0,0|1,1,1]=4 291 B5R0.2 COCCOC I282413 [1,0,0,0,0,0|1,1,1]=4 292 B5R0.2 COCCOC P107530 [1,0,0,0,0,0|1,1,1]=4 293 B5R0.2 COCCOC P432396 [1,0,0,0,0,0|1,1,1]=4 294 B5R0.2 COCCOC P432397 [1,0,0,0,0,0|1,1,1]=4 295 B5R0.2 COCCOC P432398 [1,0,0,0,0,0|1,1,1]=4 296 B5R0.2 CSCCC=O M109548 [1,0,0,0,0,0|1,0,2]=4 297 B5R0.2 CSCCCN M158420 [1,0,0,0,0,0|1,0,1]=3 298 B5R0.2 CSCCCO M102967 [1,0,0,0,0,0|1,0,1]=3 299 B5R0.3 C(C(=O)CBr)Br D139292 [1,0,0,0,0,0|2,0,0]=3 300 B5R0.3 C(C(=O)NN)O H192943 [1,0,0,0,0,0|2,1,0]=4 301 B5R0.3 C(C(CS)O)O T109440 [1,0,0,0,0,0|1,0,2]=4 302 B5R0.3 C(C(CS)O)O T109441 [1,0,0,0,0,0|1,0,2]=4 303 B5R0.3 C(C(CS)O)O T109442 [1,0,0,0,0,0|1,0,2]=4 304 B5R0.3 C(C(CS)O)O T141418 [1,0,0,0,0,0|1,0,2]=4 305 B5R0.3 C(C(CS)S)O D106477 [1,0,0,0,0,0|1,1,1]=4 306 B5R0.3 C(C(CS)S)O D424962 [1,0,0,0,0,0|1,1,1]=4 307 B5R0.3 C=C(CCl)CCl C124660 [1,0,0,0,0,0|3,0,0]=4 308 B5R0.3 C=C(CO)CO M158762 [1,0,0,0,0,0|2,1,0]=4 309 B5R0.3 CCC(=C)C=O E189230 [1,0,0,0,0,0|1,1,1]=4 310 B5R0.3 CCC(=C)CC E156179 [1,0,0,0,0,0|1,0,0]=2 311 B5R0.3 CCC(=CC)C T162381 [1,0,0,0,0,0|1,0,1]=3 312 B5R0.3 CCC(=NO)C B105233 [1,0,0,0,0,0|2,1,0]=4 313 B5R0.3 CCC(=NO)N P138620 [1,0,0,0,0,0|2,1,0]=4 314 B5R0.3 CCC(=O)CC P103791 [1,0,0,0,0,0|0,0,0]=1 315 B5R0.3 CCC(=O)CC P103792 [1,0,0,0,0,0|0,0,0]=1 316 B5R0.3 CCC(=O)CC P103794 [1,0,0,0,0,0|0,0,0]=1 317 B5R0.3 CCC(=O)CO H193640 [1,0,0,0,0,0|0,1,0]=2 318 B5R0.3 CCC(=O)NC N159394 [1,0,0,0,0,0|1,0,0]=2 319 B5R0.3 CCC(=O)NN P342062 [1,0,0,0,0,0|2,0,0]=3 320 B5R0.3 CCC(=O)OC M110420 [1,0,0,0,0,0|0,1,0]=2 321 B5R0.3 CCC(=O)OC M110421 [1,0,0,0,0,0|0,1,0]=2 322 B5R0.3 CCC(=O)OC M110422 [1,0,0,0,0,0|0,1,0]=2 323 B5R0.3 CCC(=O)OC M491732 [1,0,0,0,0,0|0,1,0]=2 324 B5R0.3 CCC(=O)SC S404755 [1,0,0,0,0,0|0,0,0]=1 325 B5R0.3 CCC(C)CBr B120302 [1,0,0,0,0,0|2,0,1]=4 326 B5R0.3 CCC(C)CBr B188983 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.3 CCC(C)CC M109051 [1,0,0,0,0,0|1,0,1]=3 328 B5R0.3 CCC(C)CC M109052 [1,0,0,0,0,0|1,0,1]=3 329 B5R0.3 CCC(C)CCl C153548 [1,0,0,0,0,0|2,0,1]=4 330 B5R0.3 CCC(C)CCl S160982 [1,0,0,0,0,0|2,0,1]=4 331 B5R0.3 CCC(C)CI I157547 [1,0,0,0,0,0|2,0,1]=4 332 B5R0.3 CCC(C)CN S467250 [1,0,0,0,0,0|2,0,1]=4 333 B5R0.3 CCC(C)CO M106456 [1,0,0,0,0,0|1,1,1]=4 334 B5R0.3 CCC(C)CO M106654 [1,0,0,0,0,0|1,1,1]=4 335 B5R0.3 CCC(C)CS M103069 [1,0,0,0,0,0|1,0,1]=3 336 B5R0.3 CCC(C)OC S161061 [1,0,0,0,0,0|1,1,1]=4 337 B5R0.3 CCC(CBr)Br D102336 [1,0,0,0,0,0|2,0,1]=4 338 B5R0.3 CCC(CBr)O B152045 [1,0,0,0,0,0|1,0,2]=4 339 B5R0.3 CCC(CC)Br B106965 [1,0,0,0,0,0|1,0,1]=3 340 B5R0.3 CCC(CC)N A133949 [1,0,0,0,0,0|1,0,1]=3 341 B5R0.3 CCC(CC)O P109359 [1,0,0,0,0,0|0,0,2]=3 342 B5R0.3 CCC(CCl)Cl D155318 [1,0,0,0,0,0|2,0,1]=4 343 B5R0.3 CCC(CN)O A151121 [1,0,0,0,0,0|1,0,2]=4 344 B5R0.3 CCC(CO)N A106025 [1,0,0,0,0,0|1,1,1]=4 345 B5R0.3 CCC(CO)N A107264 [1,0,0,0,0,0|1,1,1]=4 346 B5R0.3 CCC(CO)N A107265 [1,0,0,0,0,0|1,1,1]=4 347 B5R0.3 CCC(CO)O B153217 [1,0,0,0,0,0|0,1,2]=4 348 B5R0.3 CCC(CO)O B300651 [1,0,0,0,0,0|0,1,2]=4 349 B5R0.3 CCC(CO)O R160952 [1,0,0,0,0,0|0,1,2]=4 350 B5R0.3 CCC(CO)O S161003 [1,0,0,0,0,0|0,1,2]=4 351 B5R0.3 CCC(CS)S B152748 [1,0,0,0,0,0|0,1,1]=3 352 B5R0.3 CCN(C)CC N159249 [1,0,0,0,0,0|2,0,0]=3 353 B5R0.3 CCN(CC)O D109383 [1,0,0,0,0,0|1,0,1]=3 354 B5R0.3 CCN(CC)O N432573 [1,0,0,0,0,0|1,0,1]=3 355 B5R0.3 CCS(=O)CC E589941 [1,0,0,0,0,0|1,0,0]=2 356 B5R0.3 CC[P+](=O)CC D332476 [1,0,0,0,0,0|1,0,0]=2 357 B5R0.3 CC[Si](C)CC D337339 [1,0,0,0,0,0|1,1,0]=3 358 B5R0.3 CNC(=O)C=C N189941 [1,0,0,0,0,0|1,0,2]=4 359 B5R0.3 CNC(=O)CBr B588815 [1,0,0,0,0,0|2,0,0]=3 360 B5R0.3 CNC(=O)CCl C124467 [1,0,0,0,0,0|2,0,0]=3 361 B5R0.3 CNC(=O)CN A182951 [1,0,0,0,0,0|2,0,0]=3 362 B5R0.3 CNC(=O)CS M124593 [1,0,0,0,0,0|1,0,0]=2 363 B5R0.3 CNC(=O)NC D104702 [1,0,0,0,0,0|2,0,0]=3 364 B5R0.3 CNC(=S)NC D154881 [1,0,0,0,0,0|2,1,0]=4 365 B5R0.3 COC(=O)C#C M106792 [1,0,0,0,0,0|0,1,2]=4 366 B5R0.3 COC(=O)C=C M100029 [1,0,0,0,0,0|0,1,2]=4 367 B5R0.3 COC(=O)C=C M100030 [1,0,0,0,0,0|0,1,2]=4 368 B5R0.3 COC(=O)C=C M100032 [1,0,0,0,0,0|0,1,2]=4 369 B5R0.3 COC(=O)C=C M100033 [1,0,0,0,0,0|0,1,2]=4 370 B5R0.3 COC(=O)CBr M106900 [1,0,0,0,0,0|1,1,0]=3 371 B5R0.3 COC(=O)CCl M104120 [1,0,0,0,0,0|1,1,0]=3 372 B5R0.3 COC(=O)CCl M104121 [1,0,0,0,0,0|1,1,0]=3 373 B5R0.3 COC(=O)CCl M305846 [1,0,0,0,0,0|1,1,0]=3 374 B5R0.3 COC(=O)CN G105475 [1,0,0,0,0,0|1,1,0]=3 375 B5R0.3 COC(=O)CO M101718 [1,0,0,0,0,0|1,1,0]=3 376 B5R0.3 COC(=O)CS M103140 [1,0,0,0,0,0|1,0,0]=2 377 B5R0.3 COC(=O)NN M106002 [1,0,0,0,0,0|2,1,0]=4 378 B5R0.3 COC(=O)OC D110623 [1,0,0,0,0,0|1,1,0]=3 379 B5R0.3 COC(=O)OC D110625 [1,0,0,0,0,0|1,1,0]=3 380 B5R0.3 COC(=O)OC D119695 [1,0,0,0,0,0|1,1,0]=3 381 B5R0.3 COC(=O)OC D294884 [1,0,0,0,0,0|1,1,0]=3 382 B5R0.3 COC(=O)OC D433121 [1,0,0,0,0,0|1,1,0]=3 383 B5R0.3 COC(=O)OC D433122 [1,0,0,0,0,0|1,1,0]=3 384 B5R0.3 COC(=O)OC D433123 [1,0,0,0,0,0|1,1,0]=3 385 B5R0.3 COS(=O)OC D106795 [1,0,0,0,0,0|2,1,0]=4 386 B5R0.3 CO[P+](=O)OC D304802 [1,0,0,0,0,0|2,1,0]=4 387 B5R0.3 CSC(=NN)N S183985 [1,0,0,0,0,0|3,0,0]=4 388 B5R0.3 CSC(=S)SC D349451 [1,0,0,0,0,0|1,1,0]=3 389 B7R0.2 CC(=CC(=O)OC)C M102001 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.2 CC(=CC(=O)OC)N A102015 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.2 CC(=O)CC(=O)OC M108598 [0,1,0,0,0,0|2,0,0]=3 392 B7R0.2 CC(=O)CC(=O)OC M108599 [0,1,0,0,0,0|2,0,0]=3 393 B7R0.2 CC(=O)CC(=O)OC M108601 [0,1,0,0,0,0|2,0,0]=3 394 B7R0.2 CC(=O)NC(=O)NC A151230 [0,1,0,0,0,0|3,0,0]=4 395 B7R0.2 CC(C)CC(=O)OC M157988 [0,1,0,0,0,0|2,0,0]=3 396 B7R0.2 CC(C)NC(=O)CBr B194928 [0,1,0,0,0,0|3,0,0]=4 397 B7R0.2 CC(C)OC(=O)CCl I157694 [0,1,0,0,0,0|3,0,0]=4 398 B7R0.2 CC(CC(=O)OC)N R190811 [0,1,0,0,0,0|2,0,0]=3 399 B7R0.2 CC(CC(=O)OC)N S587134 [0,1,0,0,0,0|2,0,0]=3 400 B7R0.2 CC(CC(=O)OC)O H124084 [0,1,0,0,0,0|2,0,0]=3 401 B7R0.2 CC(CC(=O)OC)O H124101 [0,1,0,0,0,0|2,0,0]=3 402 B7R0.2 CCC(=O)CC(=O)C H192611 [0,1,0,0,0,0|1,0,0]=2 403 B7R0.2 CCC(=O)CC(C)C E156458 [0,1,0,0,0,0|1,0,0]=2 404 B7R0.2 CCC(=O)OC(C)C I157496 [0,1,0,0,0,0|2,0,0]=3 405 B7R0.2 CCC(C)CC(C)C D155187 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.2 CCC(C)CC(C)N D135535 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.2 CN(C)CC(=O)OC N304465 [0,1,0,0,0,0|2,0,0]=3 408 B7R0.2 COC(=O)CC(=O)Cl M106674 [0,1,0,0,0,0|3,0,0]=4 409 B7R0.2 COC(=O)CC(=O)Cl M489935 [0,1,0,0,0,0|3,0,0]=4 410 B7R0.2 COC(=O)CC(=O)Cl M615708 [0,1,0,0,0,0|3,0,0]=4 411 B7R0.2 COC(=O)CC(=O)O M132669 [0,1,0,0,0,0|3,0,0]=4 412 B7R0.2 COC(=O)CC(=O)[O-] H135114 [0,1,0,0,0,0|3,0,0]=4 413 B7R0.2 COC(=O)C[N+](=O)[O-] M158866 [0,1,0,0,0,0|3,0,0]=4 414 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [0,1,0,0,0,0|2,0,1]=4 415 B7R0.3 C(CC(=O)NN)CO B301222 [0,1,0,0,0,0|3,0,0]=4 416 B7R0.3 C=CCOC(=O)CCl A113257 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.3 CCC(=O)NCCO N158966 [0,1,0,0,0,0|2,0,0]=3 418 B7R0.3 CCCCC(=C)CC E156236 [0,1,0,0,0,0|2,0,0]=3 419 B7R0.3 CCCCC(=O)CC H103766 [0,1,0,0,0,0|1,0,0]=2 420 B7R0.3 CCCCC(=O)NN P135113 [0,1,0,0,0,0|3,0,0]=4 421 B7R0.3 CCCCC(=O)OC M108213 [0,1,0,0,0,0|2,0,0]=3 422 B7R0.3 CCCCC(=O)OC M108214 [0,1,0,0,0,0|2,0,0]=3 423 B7R0.3 CCCCC(C)CC M113650 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.3 CCCCC(CC)Br B152441 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.3 CCCCC(CC)O H156872 [0,1,0,0,0,0|1,0,2]=4 426 B7R0.3 CCCNC(=O)C=C N404954 [0,1,0,0,0,0|1,0,2]=4 427 B7R0.3 CCCNC(C)CC N158968 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.3 CCCOC(=O)CC P111531 [0,1,0,0,0,0|1,0,0]=2 429 B7R0.3 CCCOC(=O)CC P111532 [0,1,0,0,0,0|1,0,0]=2 430 B7R0.3 COC(=O)C=CCBr M137638 [0,1,0,0,0,0|2,0,1]=4 431 B7R0.3 COC(=O)C=CCBr M158855 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.3 COC(=O)CCC#N M135512 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.3 COC(=O)CCC#N M293045 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.3 COC(=O)CCC=C M338666 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.3 COC(=O)CCCBr M158832 [0,1,0,0,0,0|2,0,0]=3 436 B7R0.3 COC(=O)CCCBr M492178 [0,1,0,0,0,0|2,0,0]=3 437 B7R0.3 COC(=O)CCCCl C108118 [0,1,0,0,0,0|2,0,0]=3 438 B7R0.3 COC(=O)CCCI M167258 [0,1,0,0,0,0|2,0,0]=3 439 B7R0.3 COC(=O)CCCN M124081 [0,1,0,0,0,0|2,0,0]=3 440 B7R0.3 COC(=O)CCSC M302466 [0,1,0,0,0,0|1,0,0]=2 441 B7R0.3 COC(=O)CN=[N+]=[N-] M168057 [0,1,0,0,0,0|3,0,0]=4 442 B7R0.3 COC(=O)OCC=C A136273 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.3 COC=CC(=O)OC M105075 [0,1,0,0,0,0|1,1,1]=4 444 B7R0.3 COC=CC(=O)OC M135197 [0,1,0,0,0,0|1,1,1]=4 445 B7R0.3 COCCC(=O)OC M134953 [0,1,0,0,0,0|1,1,0]=3 446 B7R0.3 COCOC(=C)CCl C153297 [0,1,0,0,0,0|2,1,0]=4 447 B7R0.3 CSCCC(CO)N D339853 [0,1,0,0,0,0|2,0,1]=4 448 B7R0.3 CSCCC(CO)N M117138 [0,1,0,0,0,0|2,0,1]=4 449 B7R0.3 CSCCC(CO)N S167794 [0,1,0,0,0,0|2,0,1]=4 450 B7R0.5 CCCC(=O)C(=O)C H106696 [0,1,0,0,0,0|1,0,1]=3 451 B7R0.5 CCCC(=O)C(=O)O O159954 [0,1,0,0,0,0|2,0,1]=4 452 B7R0.5 CCCC(C)C(C)C D155209 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.5 CCOC(=O)C(=C)C E103001 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.5 CCOC(=O)C(=C)C E103002 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.5 CCOC(=O)C(=C)C E492609 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.5 CCOC(=O)C(=O)C E113332 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.5 CCOC(=O)C(Br)Br E331036 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.5 CCOC(=O)C(C)Br E106089 [0,1,0,0,0,0|2,0,0]=3 459 B7R0.5 CCOC(=O)C(C)Br E400066 [0,1,0,0,0,0|2,0,0]=3 460 B7R0.5 CCOC(=O)C(C)C E156123 [0,1,0,0,0,0|2,0,0]=3 461 B7R0.5 CCOC(=O)C(C)Cl E100647 [0,1,0,0,0,0|2,0,0]=3 462 B7R0.5 CCOC(=O)C(C)F E135615 [0,1,0,0,0,0|2,0,0]=3 463 B7R0.5 CCOC(=O)C(C)I E156364 [0,1,0,0,0,0|2,0,0]=3 464 B7R0.5 CCOC(=O)C(C)N A109010 [0,1,0,0,0,0|2,0,0]=3 465 B7R0.5 CCOC(=O)C(C)N A117183 [0,1,0,0,0,0|2,0,0]=3 466 B7R0.5 CCOC(=O)C(C)N D304158 [0,1,0,0,0,0|2,0,0]=3 467 B7R0.5 CCOC(=O)C(C)O E104551 [0,1,0,0,0,0|2,0,0]=3 468 B7R0.5 CCOC(=O)C(C)O E104553 [0,1,0,0,0,0|2,0,0]=3 469 B7R0.5 CCOC(=O)C(C)O E104554 [0,1,0,0,0,0|2,0,0]=3 470 B7R0.5 CCOC(=O)C(C)O E108228 [0,1,0,0,0,0|2,0,0]=3 471 B7R0.5 CCOC(=O)C(C)O E108230 [0,1,0,0,0,0|2,0,0]=3 472 B7R0.5 CCOC(=O)C(C)O E465744 [0,1,0,0,0,0|2,0,0]=3 473 B7R0.5 CCOC(=O)C(C)S E156189 [0,1,0,0,0,0|2,0,0]=3 474 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [0,1,0,0,0,0|3,0,0]=4 475 B7R0.5 CCOC(=O)C(F)Br E102105 [0,1,0,0,0,0|3,0,0]=4 476 B7R0.5 CCOC(=O)C(F)Cl E138797 [0,1,0,0,0,0|3,0,0]=4 477 B7R0.5 CCOC(=O)C(F)F E101733 [0,1,0,0,0,0|3,0,0]=4 478 B7R0.5 CCOC(=O)C(F)F E616466 [0,1,0,0,0,0|3,0,0]=4 479 B7R0.5 CCOC(=O)C(F)I E331038 [0,1,0,0,0,0|3,0,0]=4 480 B7R0.5 CN(C)C(=O)CC#N C135281 [0,1,0,0,0,0|3,0,0]=4 481 B7R0.5 CN(C)C(=O)COC M589066 [0,1,0,0,0,0|1,1,0]=3 482 B7R0.7 CCCC(=O)CCC H103840 [0,1,0,0,0,0|1,0,0]=2 483 B7R0.7 CCCC(=O)CCC H103841 [0,1,0,0,0,0|1,0,0]=2 484 B7R0.7 CCCC(=O)OC=C V162944 [0,1,0,0,0,0|1,0,2]=4 485 B7R0.7 CCCC(=O)OCC E101116 [0,1,0,0,0,0|1,0,0]=2 486 B7R0.7 CCCC(=O)OCC E101117 [0,1,0,0,0,0|1,0,0]=2 487 B7R0.7 CCCC(=O)OCC E101119 [0,1,0,0,0,0|1,0,0]=2 488 B7R0.7 CCCC(=O)OCCl C153957 [0,1,0,0,0,0|2,0,0]=3 489 B7R0.7 CCCC(C)CCC M113651 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.7 CCCC(CCC)N H156930 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.7 CCCC(CCC)O H156873 [0,1,0,0,0,0|1,0,2]=4 492 B7R0.7 CCCC(CCO)S M102905 [0,1,0,0,0,0|1,1,1]=4 493 B7R0.7 CCCN(C)CCC I169711 [0,1,0,0,0,0|3,0,0]=4 494 B7R0.7 CCNC(=O)CC#N C181647 [0,1,0,0,0,0|2,0,0]=3 495 B7R0.7 CCNC(=O)NCC D108032 [0,1,0,0,0,0|2,0,0]=3 496 B7R0.7 CCNC(=S)NCC D154883 [0,1,0,0,0,0|2,1,0]=4 497 B7R0.7 CCOC(=O)C#CC E106247 [0,1,0,0,0,0|1,0,1]=3 498 B7R0.7 CCOC(=O)C=CC E156252 [0,1,0,0,0,0|1,0,1]=3 499 B7R0.7 CCOC(=O)C=C[O-] E176875 [0,1,0,0,0,0|2,0,1]=4 500 B7R0.7 CCOC(=O)C=[N+]=[N-] E100922 [0,1,0,0,0,0|2,0,1]=4 501 B7R0.7 CCOC(=O)CC#N E105739 [0,1,0,0,0,0|2,0,0]=3 502 B7R0.7 CCOC(=O)CC#N E105740 [0,1,0,0,0,0|2,0,0]=3 503 B7R0.7 CCOC(=O)CC=C E587504 [0,1,0,0,0,0|1,0,1]=3 504 B7R0.7 CCOC(=O)CCBr E106956 [0,1,0,0,0,0|2,0,0]=3 505 B7R0.7 CCOC(=O)CCCl E100652 [0,1,0,0,0,0|2,0,0]=3 506 B7R0.7 CCOC(=O)CCI E185756 [0,1,0,0,0,0|2,0,0]=3 507 B7R0.7 CCOC(=O)CCN A100434 [0,1,0,0,0,0|2,0,0]=3 508 B7R0.7 CCOC(=O)CCO E185621 [0,1,0,0,0,0|2,0,0]=3 509 B7R0.7 CCOC(=O)CCS E119585 [0,1,0,0,0,0|2,0,0]=3 510 B7R0.7 CCOC(=O)CC[CH2-] E465885 [0,1,0,0,0,0|1,0,1]=3 511 B7R0.7 CCOC(=O)CNC E115901 [0,1,0,0,0,0|1,0,0]=2 512 B7R0.7 CCOC(=O)CNN E134414 [0,1,0,0,0,0|2,0,0]=3 513 B7R0.7 CCOC(=O)COC E136304 [0,1,0,0,0,0|0,1,0]=2 514 B7R0.7 CCOC(=O)CSC E156475 [0,1,0,0,0,0|0,0,0]=1 515 B7R0.7 CCOC(=O)C[N+]#[C-] E156037 [0,1,0,0,0,0|1,0,1]=3 516 B7R0.7 CCOC(=O)C[N+]#[C-] E400243 [0,1,0,0,0,0|1,0,1]=3 517 B7R0.7 CCOC(=O)N=C=S E123540 [0,1,0,0,0,0|3,0,0]=4 518 B7R0.7 CCOC(=O)N=C=S E638552 [0,1,0,0,0,0|3,0,0]=4 519 B7R0.7 CCOC(=O)OCC D103040 [0,1,0,0,0,0|2,0,0]=3 520 B7R0.7 CCOC(=O)OCCl C192930 [0,1,0,0,0,0|3,0,0]=4 521 B7R0.7 CCOS(=O)OCC D122901 [0,1,0,0,0,0|3,0,0]=4 522 B7R0.7 CCO[P+](=O)OCC D109100 [0,1,0,0,0,0|3,0,0]=4 523 B7R0.7 COCC(COC)N D195061 [0,1,0,0,0,0|1,1,1]=4 524 B7R0.7 COCC(COC)O D194254 [0,1,0,0,0,0|0,1,2]=4 525 B7R0.10 CC(C(=O)OC)NC S587983 [0,1,0,0,0,0|2,0,0]=3 526 B7R0.10 CC(CBr)C(=O)OC M158847 [0,1,0,0,0,0|3,0,0]=4 527 B7R0.10 CC(CBr)C(=O)OC M409449 [0,1,0,0,0,0|3,0,0]=4 528 B7R0.10 CC(CO)C(=O)OC M589106 [0,1,0,0,0,0|3,0,0]=4 529 B7R0.10 CC(CO)C(=O)OC R136025 [0,1,0,0,0,0|3,0,0]=4 530 B7R0.10 CC(CO)C(=O)OC S133601 [0,1,0,0,0,0|3,0,0]=4 531 B7R0.10 CC=C(C)C(=O)OC M158196 [0,1,0,0,0,0|2,0,1]=4 532 B7R0.10 CCC(=O)C(=O)CC H102539 [0,1,0,0,0,0|1,0,1]=3 533 B7R0.10 CCC(=O)N(C)OC N404710 [0,1,0,0,0,0|1,1,0]=3 534 B7R0.10 CCC(C(=O)CC)O P121219 [0,1,0,0,0,0|1,0,0]=2 535 B7R0.10 CCC(C(=O)OC)Br M110203 [0,1,0,0,0,0|2,0,0]=3 536 B7R0.10 CCC(C(=O)OC)N D134538 [0,1,0,0,0,0|2,0,0]=3 537 B7R0.10 CCC(C(=O)OC)N S304011 [0,1,0,0,0,0|2,0,0]=3 538 B7R0.10 CCC(C(=O)OC)O M588620 [0,1,0,0,0,0|2,0,0]=3 539 B7R0.10 CCC(C(=O)OC)O M590030 [0,1,0,0,0,0|2,0,0]=3 540 B7R0.10 CCC(C(=O)OC)O R590029 [0,1,0,0,0,0|2,0,0]=3 541 B7R0.10 CCC(C)C(=O)OC M157989 [0,1,0,0,0,0|2,0,0]=3 542 B7R0.10 CN(C(=O)CCl)OC C124448 [0,1,0,0,0,0|2,1,0]=4 543 B7R0.10 CNC(=O)C(=O)NC I171177 [0,1,0,0,0,0|2,0,1]=4 544 B7R0.10 COC(=O)C(=O)CBr M572938 [0,1,0,0,0,0|1,1,1]=4 545 B7R0.10 COC(=O)C(=O)OC D103008 [0,1,0,0,0,0|1,1,1]=4 546 B7R0.10 COC(=O)C(=O)OC D103009 [0,1,0,0,0,0|1,1,1]=4 547 B7R0.10 COC(=O)C(CBr)Br M167887 [0,1,0,0,0,0|3,0,0]=4 548 B7R0.10 COC(=O)C(CCl)Cl M121841 [0,1,0,0,0,0|3,0,0]=4 549 B7R0.10 COC(=O)C(CCl)N M588771 [0,1,0,0,0,0|3,0,0]=4 550 B7R0.10 COC(=O)C(CCl)N S134256 [0,1,0,0,0,0|3,0,0]=4 551 B7R0.10 COC(=O)C(CO)N S101064 [0,1,0,0,0,0|3,0,0]=4 552 B7R0.10 COC(=O)C(CO)N S109008 [0,1,0,0,0,0|3,0,0]=4 553 B7R0.10 COC(=O)C(CO)N S117181 [0,1,0,0,0,0|3,0,0]=4 554 B7R0.10 COC(=O)C(CO)O R587787 [0,1,0,0,0,0|3,0,0]=4 555 B7R0.10 COC(=O)C(CO)O S178884 [0,1,0,0,0,0|3,0,0]=4 556 B7R0.10 COC(=O)C(CS)N C105474 [0,1,0,0,0,0|3,0,0]=4 557 B7R0.10 COC(=O)C(CS)N S133993 [0,1,0,0,0,0|3,0,0]=4 558 B7R0.12 CCN(CCO)N=O N158964 [0,1,0,0,0,0|3,0,0]=4 559 B7R0.12 COC(CSC)OC M133839 [0,1,0,0,0,0|1,0,2]=4 560 B7R1.1 CCC1=CSC=C1 E156073 [0,0,0,1,0,0|1,0,2]=4 561 B7R1.1 CCC1=NCCN1 E156339 [0,0,0,1,0,0|3,0,0]=4 562 B7R1.1 CCC1=NCCO1 E137961 [0,0,0,1,0,0|2,0,1]=4 563 B7R1.1 CCC1=NCCO1 P303248 [0,0,0,1,0,0|2,0,1]=4 564 B7R1.1 CCC1=NCCO1 P432473 [0,0,0,1,0,0|2,0,1]=4 565 B7R1.1 CCC1=NCCO1 P432474 [0,0,0,1,0,0|2,0,1]=4 566 B7R1.1 CCC1=[C-]CC=C1 B294778 [0,0,0,1,0,0|2,0,1]=4 567 B7R1.1 CCC1CCCC1 E156243 [0,0,0,1,0,0|2,0,1]=4 568 B7R1.1 CCN1CCCC1 E156259 [0,0,0,1,0,0|3,0,0]=4 569 B7R1.2 C1C(=O)COC1=O T101326 [0,0,0,1,0,0|3,0,0]=4 570 B7R1.2 C1C(CNC1=O)N A587603 [0,0,0,1,0,0|3,0,0]=4 571 B7R1.2 C1C(CNC1=O)O H119311 [0,0,0,1,0,0|3,0,0]=4 572 B7R1.2 C1C(CNC1=O)O H119312 [0,0,0,1,0,0|3,0,0]=4 573 B7R1.2 C1C(CNC1=O)O H183207 [0,0,0,1,0,0|3,0,0]=4 574 B7R1.2 C1C(COC1=O)N R189910 [0,0,0,1,0,0|3,0,0]=4 575 B7R1.2 C1C(COC1=O)N S189909 [0,0,0,1,0,0|3,0,0]=4 576 B7R1.2 C1C(COC1=O)O H107941 [0,0,0,1,0,0|3,0,0]=4 577 B7R1.2 C1CC(=O)CC1=O C138777 [0,0,0,1,0,0|2,0,0]=3 578 B7R1.2 C1CC(=O)NC1=O S104077 [0,0,0,1,0,0|3,0,0]=4 579 B7R1.2 C1CC(=O)NC1=O S104079 [0,0,0,1,0,0|3,0,0]=4 580 B7R1.2 C1CC(=O)OC1=O S104823 [0,0,0,1,0,0|3,0,0]=4 581 B7R1.2 C1CC(=O)OC1=O S104824 [0,0,0,1,0,0|3,0,0]=4 582 B7R1.2 CC1=CC(=O)CC1 M109537 [0,0,0,1,0,0|1,0,1]=3 583 B7R1.2 CC1=CC(=O)OC1 M158202 [0,0,0,1,0,0|2,0,1]=4 584 B7R1.2 CC1=CCC(=O)O1 A151155 [0,0,0,1,0,0|2,0,1]=4 585 B7R1.2 CC1=CCC(=O)O1 A433012 [0,0,0,1,0,0|2,0,1]=4 586 B7R1.2 CC1=NNC(=O)C1 M121614 [0,0,0,1,0,0|3,0,0]=4 587 B7R1.2 CC1CCC(=O)C1 M113659 [0,0,0,1,0,0|1,0,0]=2 588 B7R1.2 CC1CCC(=O)N1 M158429 [0,0,0,1,0,0|2,0,0]=3 589 B7R1.2 CC1CCC(=O)O1 V106294 [0,0,0,1,0,0|2,0,0]=3 590 B7R1.2 CC1CCC(C1)O M351118 [0,0,0,1,0,0|1,0,2]=4 591 B7R1.2 CC1COC(=O)O1 P105723 [0,0,0,1,0,0|3,0,0]=4 592 B7R1.2 CC1COC(=O)O1 P105724 [0,0,0,1,0,0|3,0,0]=4 593 B7R1.2 CC1COC(=O)O1 P105725 [0,0,0,1,0,0|3,0,0]=4 594 B7R1.2 CC1COC(=O)O1 P105726 [0,0,0,1,0,0|3,0,0]=4 595 B7R1.2 CC1COC(=O)O1 P122960 [0,0,0,1,0,0|3,0,0]=4 596 B7R1.2 CC1COC(=O)O1 S135940 [0,0,0,1,0,0|3,0,0]=4 597 B7R1.2 CN1CCC(=O)C1 M343187 [0,0,0,1,0,0|1,0,0]=2 598 B7R1.2 CN1CCC(C1)N M173360 [0,0,0,1,0,0|2,0,1]=4 599 B7R1.2 CN1CCC(C1)O M107932 [0,0,0,1,0,0|1,0,2]=4 600 B7R1.2 CN1CCC(C1)O M119144 [0,0,0,1,0,0|1,0,2]=4 601 B7R1.2 CN1CCC(C1)O M121670 [0,0,0,1,0,0|1,0,2]=4 602 B7R1.3 C1CC(=O)CNC1 P301951 [0,0,0,1,0,0|1,0,0]=2 603 B7R1.3 C1CC(=O)COC1 O175840 [0,0,0,1,0,0|0,1,0]=2 604 B7R1.3 C1CC(CNC1)F F166180 [0,0,0,1,0,0|2,0,1]=4 605 B7R1.3 C1CC(CNC1)N A119349 [0,0,0,1,0,0|2,0,1]=4 606 B7R1.3 C1CC(CNC1)N A121532 [0,0,0,1,0,0|2,0,1]=4 607 B7R1.3 C1CC(CNC1)N A121533 [0,0,0,1,0,0|2,0,1]=4 608 B7R1.3 C1CC(CNC1)N A151173 [0,0,0,1,0,0|2,0,1]=4 609 B7R1.3 C1CC(CNC1)N R586890 [0,0,0,1,0,0|2,0,1]=4 610 B7R1.3 C1CC(CNC1)O H119140 [0,0,0,1,0,0|1,0,2]=4 611 B7R1.3 C1CC(CNC1)O H119141 [0,0,0,1,0,0|1,0,2]=4 612 B7R1.3 C1CC(CNC1)O H123507 [0,0,0,1,0,0|1,0,2]=4 613 B7R1.3 C1CC(CNC1)O H123509 [0,0,0,1,0,0|1,0,2]=4 614 B7R1.3 C1CC(CNC1)O S588362 [0,0,0,1,0,0|1,0,2]=4 615 B7R1.3 C1CC(COC1)N S172896 [0,0,0,1,0,0|1,1,1]=4 616 B7R1.3 C1CC(COC1)O O175461 [0,0,0,1,0,0|0,1,2]=4 617 B7R1.3 C1CCC(=O)CC1 C116449 [0,0,0,1,0,0|1,0,0]=2 618 B7R1.3 C1CCC(=O)CC1 C116451 [0,0,0,1,0,0|1,0,0]=2 619 B7R1.3 C1CCC(=O)CC1 C116453 [0,0,0,1,0,0|1,0,0]=2 620 B7R1.3 C1CCC(=O)CC1 C116454 [0,0,0,1,0,0|1,0,0]=2 621 B7R1.3 C1CCC(=O)CC1 C295202 [0,0,0,1,0,0|1,0,0]=2 622 B7R1.3 C1CCC(=O)CC1 C471914 [0,0,0,1,0,0|1,0,0]=2 623 B7R1.3 C1CCC(=O)CC1 C615386 [0,0,0,1,0,0|1,0,0]=2 624 B7R1.3 C1CCC(CC1)Br B109675 [0,0,0,1,0,0|2,0,1]=4 625 B7R1.3 C1CCC(CC1)Cl C106088 [0,0,0,1,0,0|2,0,1]=4 626 B7R1.3 C1CCC(CC1)F F156720 [0,0,0,1,0,0|2,0,1]=4 627 B7R1.3 C1CCC(CC1)I I157579 [0,0,0,1,0,0|2,0,1]=4 628 B7R1.3 C1CCC(CC1)N C103892 [0,0,0,1,0,0|2,0,1]=4 629 B7R1.3 C1CCC(CC1)N C105033 [0,0,0,1,0,0|2,0,1]=4 630 B7R1.3 C1CCC(CC1)N C105034 [0,0,0,1,0,0|2,0,1]=4 631 B7R1.3 C1CCC(CC1)N C105035 [0,0,0,1,0,0|2,0,1]=4 632 B7R1.3 C1CCC(CC1)N C105036 [0,0,0,1,0,0|2,0,1]=4 633 B7R1.3 C1CCC(CC1)N C136515 [0,0,0,1,0,0|2,0,1]=4 634 B7R1.3 C1CCC(CC1)N C405536 [0,0,0,1,0,0|2,0,1]=4 635 B7R1.3 C1CCC(CC1)N C492170 [0,0,0,1,0,0|2,0,1]=4 636 B7R1.3 C1CCC(CC1)N C492176 [0,0,0,1,0,0|2,0,1]=4 637 B7R1.3 C1CCC(CC1)O C110399 [0,0,0,1,0,0|1,0,2]=4 638 B7R1.3 C1CCC(CC1)O C110400 [0,0,0,1,0,0|1,0,2]=4 639 B7R1.3 C1CCC(CC1)O C110401 [0,0,0,1,0,0|1,0,2]=4 640 B7R1.3 C1CCC(CC1)O C121272 [0,0,0,1,0,0|1,0,2]=4 641 B7R1.3 C1CCC(CC1)S C107602 [0,0,0,1,0,0|1,1,1]=4 642 B7R1.3 C1CCC(CC1)[NH3+] C494008 [0,0,0,1,0,0|2,0,1]=4 643 B7R1.3 C1CCN(CC1)N A103012 [0,0,0,1,0,0|3,0,0]=4 644 B7R1.3 C1CCN(CC1)N A113934 [0,0,0,1,0,0|3,0,0]=4 645 B7R1.3 C1CCNC(=O)C1 P160613 [0,0,0,1,0,0|2,0,0]=3 646 B7R1.3 C1CCOC(=O)C1 V100560 [0,0,0,1,0,0|2,0,0]=3 647 B7R1.3 C1CNC(=O)CN1 P135012 [0,0,0,1,0,0|2,0,0]=3 648 B7R1.3 C1CNC(=O)NC1 T162348 [0,0,0,1,0,0|3,0,0]=4 649 B7R1.3 C1CNC(=O)OC1 O170792 [0,0,0,1,0,0|3,0,0]=4 650 B7R1.3 C1COC(=O)C=C1 D155403 [0,0,0,1,0,0|2,0,1]=4 651 B7R1.3 C1COC(=O)CO1 D122246 [0,0,0,1,0,0|1,1,0]=3 652 B7R1.3 C1COC(=O)OC1 D155394 [0,0,0,1,0,0|3,0,0]=4 653 B7R1.3 C1COCC(=O)N1 M157861 [0,0,0,1,0,0|1,1,0]=3 654 B7R1.3 C1COCCC1=O T107483 [0,0,0,1,0,0|2,0,0]=3 655 B7R1.3 C1CSCCC1=O T121984 [0,0,0,1,0,0|2,0,0]=3 656 B7R1.3 C=C1CCCCC1 M158229 [0,0,0,1,0,0|2,0,0]=3 657 B7R1.3 CC1=CCCCC1 M158209 [0,0,0,1,0,0|2,0,1]=4 658 B7R1.3 CC1CCCCC1 M103329 [0,0,0,1,0,0|2,0,1]=4 659 B7R1.3 CC1CCCCC1 M103330 [0,0,0,1,0,0|2,0,1]=4 660 B7R1.3 CC1CCCCC1 M103331 [0,0,0,1,0,0|2,0,1]=4 661 B7R1.3 CC1CCCCC1 M118385 [0,0,0,1,0,0|2,0,1]=4 662 B7R1.3 CC1CCCCC1 M119670 [0,0,0,1,0,0|2,0,1]=4 663 B7R1.3 CC1CCCNC1 M158771 [0,0,0,1,0,0|2,0,1]=4 664 B7R1.3 CC1CCCNC1 R588230 [0,0,0,1,0,0|2,0,1]=4 665 B7R1.3 CC1CCCNC1 S191141 [0,0,0,1,0,0|2,0,1]=4 666 B7R1.3 CN1CCCCC1 M106736 [0,0,0,1,0,0|3,0,0]=4 667 B7R1.3 [CH2-]C1CCCCC1 C140721 [0,0,0,1,0,0|2,0,1]=4 668 B7R1.4 C1C(C(=O)NO1)N C108718 [0,0,0,1,0,0|2,1,0]=4 669 B7R1.4 C1C(C(=O)NO1)N D136996 [0,0,0,1,0,0|2,1,0]=4 670 B7R1.4 C1C(C(=O)NO1)N D425443 [0,0,0,1,0,0|2,1,0]=4 671 B7R1.4 C1C(C(=O)NO1)N L423473 [0,0,0,1,0,0|2,1,0]=4 672 B7R1.4 C1C(C(=O)NO1)N S136251 [0,0,0,1,0,0|2,1,0]=4 673 B7R1.4 C1CC(C(=O)C1)Cl C103555 [0,0,0,1,0,0|2,0,0]=3 674 B7R1.4 C1CC(C(=O)C1)Cl C598656 [0,0,0,1,0,0|2,0,0]=3 675 B7R1.4 C1CNC(=O)C1O H486731 [0,0,0,1,0,0|3,0,0]=4 676 B7R1.4 C1COC(=O)C1Br B107924 [0,0,0,1,0,0|3,0,0]=4 677 B7R1.4 C1COC(=O)C1N A101211 [0,0,0,1,0,0|3,0,0]=4 678 B7R1.4 C1COC(=O)C1N I167498 [0,0,0,1,0,0|3,0,0]=4 679 B7R1.4 C1COC(=O)C1N R137962 [0,0,0,1,0,0|3,0,0]=4 680 B7R1.4 C1COC(=O)C1O H113417 [0,0,0,1,0,0|3,0,0]=4 681 B7R1.4 C1COC(=O)C1O R591020 [0,0,0,1,0,0|3,0,0]=4 682 B7R1.4 C1COC(=O)C1O S161076 [0,0,0,1,0,0|3,0,0]=4 683 B7R1.4 C1CSC(=O)C1N H108030 [0,0,0,1,0,0|3,0,0]=4 684 B7R1.4 C1CSC(=O)C1N S169532 [0,0,0,1,0,0|3,0,0]=4 685 B7R1.4 CC1=CCCC1=O M165952 [0,0,0,1,0,0|1,0,2]=4 686 B7R1.4 CC1C(=O)CCO1 M102944 [0,0,0,1,0,0|2,0,0]=3 687 B7R1.4 CC1C(=O)CCS1 M102985 [0,0,0,1,0,0|2,0,0]=3 688 B7R1.4 CC1CCCC1=O M138029 [0,0,0,1,0,0|1,0,0]=2 689 B7R1.4 CC1CCCC1O B300625 [0,0,0,1,0,0|1,0,2]=4 690 B7R1.4 CC1CCOC1=O A151225 [0,0,0,1,0,0|2,0,0]=3 691 B7R1.4 CN1C(=O)CC=N1 M586169 [0,0,0,1,0,0|3,0,0]=4 692 B7R1.4 CN1CCCC1=O M100588 [0,0,0,1,0,0|2,0,0]=3 693 B7R1.4 CN1CCCC1=O M100589 [0,0,0,1,0,0|2,0,0]=3 694 B7R1.4 CN1CCCC1=O M100590 [0,0,0,1,0,0|2,0,0]=3 695 B7R1.4 CN1CCCC1=O M103246 [0,0,0,1,0,0|2,0,0]=3 696 B7R1.4 CN1CCCC1=O M103247 [0,0,0,1,0,0|2,0,0]=3 697 B7R1.4 CN1CCCC1=O M103248 [0,0,0,1,0,0|2,0,0]=3 698 B7R1.4 CN1CCCC1=O M103250 [0,0,0,1,0,0|2,0,0]=3 699 B7R1.4 CN1CCCC1=O M119668 [0,0,0,1,0,0|2,0,0]=3 700 B7R1.4 CN1CCCC1=O M434296 [0,0,0,1,0,0|2,0,0]=3 701 B7R1.4 CN1CCCC1=S M140448 [0,0,0,1,0,0|2,1,0]=4 702 B7R1.4 CN1CCNC1=O M304416 [0,0,0,1,0,0|3,0,0]=4 703 B7R1.4 CN1CCOC1=O M132701 [0,0,0,1,0,0|3,0,0]=4 704 B7R1.22 C1CC1C(=O)CBr B186063 [0,0,0,1,0,0|2,0,0]=3 705 B7R1.22 C1CC1C(=O)NN C177206 [0,0,0,1,0,0|3,0,0]=4 706 B7R1.22 COC(=O)C1CC1 M108025 [0,0,0,1,0,0|2,0,0]=3 707 B7R1.22 COC(=O)C1CN1 M111108 [0,0,0,1,0,0|2,0,0]=3 708 B7R1.22 COC(=O)C1CO1 G303748 [0,0,0,1,0,0|1,1,0]=3 709 B7R1.22 COC(=O)C1CO1 M344543 [0,0,0,1,0,0|1,1,0]=3 710 B7R1.22 COC(=O)C1CO1 S179901 [0,0,0,1,0,0|1,1,0]=3 711 B4R0.1 C(=O)(SCl)Cl C154038 [2,0,0,0,0,0|2,0,0]=4 712 B4R0.1 C(C(=O)Br)Br B106897 [2,0,0,0,0,0|2,0,0]=4 713 B4R0.1 C(C(=O)Cl)Br B137113 [2,0,0,0,0,0|2,0,0]=4 714 B4R0.1 C(C(=O)N)Br B139173 [2,0,0,0,0,0|2,0,0]=4 715 B4R0.1 C(C(=O)N)Cl C106072 [2,0,0,0,0,0|2,0,0]=4 716 B4R0.1 C(C(=O)N)I I105563 [2,0,0,0,0,0|2,0,0]=4 717 B4R0.1 C(C(=O)N)I I131590 [2,0,0,0,0,0|2,0,0]=4 718 B4R0.1 C(C(=O)N)I I421630 [2,0,0,0,0,0|2,0,0]=4 719 B4R0.1 C(C(=O)N)N G106202 [2,0,0,0,0,0|2,0,0]=4 720 B4R0.1 C(C(=O)N)N G185482 [2,0,0,0,0,0|2,0,0]=4 721 B4R0.1 C(C(=O)N)O G102639 [2,0,0,0,0,0|1,1,0]=4 722 B4R0.1 C(C(=O)O)Br B108523 [2,0,0,0,0,0|1,1,0]=4 723 B4R0.1 C(C(=O)O)Br B108524 [2,0,0,0,0,0|1,1,0]=4 724 B4R0.1 C(C(=O)O)Br B108525 [2,0,0,0,0,0|1,1,0]=4 725 B4R0.1 C(C(=O)O)Br B355164 [2,0,0,0,0,0|1,1,0]=4 726 B4R0.1 C(C(=O)O)Br B434194 [2,0,0,0,0,0|1,1,0]=4 727 B4R0.1 C(C(=O)O)Cl C485697 [2,0,0,0,0,0|1,1,0]=4 728 B4R0.1 C(C(=O)O)I I104613 [2,0,0,0,0,0|1,1,0]=4 729 B4R0.1 C(C(=O)O)N A110749 [2,0,0,0,0,0|1,1,0]=4 730 B4R0.1 C(C(=O)O)N A110750 [2,0,0,0,0,0|1,1,0]=4 731 B4R0.1 C(C(=O)O)N A110751 [2,0,0,0,0,0|1,1,0]=4 732 B4R0.1 C(C(=O)O)N A110752 [2,0,0,0,0,0|1,1,0]=4 733 B4R0.1 C(C(=O)O)N A111465 [2,0,0,0,0,0|1,1,0]=4 734 B4R0.1 C(C(=O)O)N A124751 [2,0,0,0,0,0|1,1,0]=4 735 B4R0.1 C(C(=O)O)N A124757 [2,0,0,0,0,0|1,1,0]=4 736 B4R0.1 C(C(=O)O)N A298706 [2,0,0,0,0,0|1,1,0]=4 737 B4R0.1 C(C(=O)O)N B190646 [2,0,0,0,0,0|1,1,0]=4 738 B4R0.1 C(C(=O)O)N B573462 [2,0,0,0,0,0|1,1,0]=4 739 B4R0.1 C(C(=O)O)N G110174 [2,0,0,0,0,0|1,1,0]=4 740 B4R0.1 C(C(=O)O)N G119904 [2,0,0,0,0,0|1,1,0]=4 741 B4R0.1 C(C(=O)O)N G133060 [2,0,0,0,0,0|1,1,0]=4 742 B4R0.1 C(C(=O)O)N G156794 [2,0,0,0,0,0|1,1,0]=4 743 B4R0.1 C(C(=O)O)N G156795 [2,0,0,0,0,0|1,1,0]=4 744 B4R0.1 C(C(=O)O)N G432934 [2,0,0,0,0,0|1,1,0]=4 745 B4R0.1 C(C(=O)O)N G432935 [2,0,0,0,0,0|1,1,0]=4 746 B4R0.1 C(C(=O)O)N G471905 [2,0,0,0,0,0|1,1,0]=4 747 B4R0.1 C(C(=O)O)N G472098 [2,0,0,0,0,0|1,1,0]=4 748 B4R0.1 C(C(=O)O)O G104191 [2,0,0,0,0,0|1,1,0]=4 749 B4R0.1 C(C(=O)O)O G104193 [2,0,0,0,0,0|1,1,0]=4 750 B4R0.1 C(C(=O)O)O G425976 [2,0,0,0,0,0|1,1,0]=4 751 B4R0.1 C(C(=O)O)O G434198 [2,0,0,0,0,0|1,1,0]=4 752 B4R0.1 C(C(=O)O)O G591002 [2,0,0,0,0,0|1,1,0]=4 753 B4R0.1 C(C(=O)O)O N129652 [2,0,0,0,0,0|1,1,0]=4 754 B4R0.1 C(C(=O)O)O N427119 [2,0,0,0,0,0|1,1,0]=4 755 B4R0.1 C(C(=O)O)O P136309 [2,0,0,0,0,0|1,1,0]=4 756 B4R0.1 C(C(=O)O)O P477164 [2,0,0,0,0,0|1,1,0]=4 757 B4R0.1 C(C(=O)O)S T104998 [2,0,0,0,0,0|1,0,0]=3 758 B4R0.1 C(C(=O)O)S T105002 [2,0,0,0,0,0|1,0,0]=3 759 B4R0.1 C(C(=O)O)S T501446 [2,0,0,0,0,0|1,0,0]=3 760 B4R0.1 C(C(=O)[O-])Br S124697 [2,0,0,0,0,0|1,1,0]=4 761 B4R0.1 C(C(=O)[O-])Cl S108371 [2,0,0,0,0,0|1,1,0]=4 762 B4R0.1 C(C(=O)[O-])I S104897 [2,0,0,0,0,0|1,1,0]=4 763 B4R0.1 C(C(=O)[O-])N F302712 [2,0,0,0,0,0|1,1,0]=4 764 B4R0.1 C(C(=O)[O-])N G104214 [2,0,0,0,0,0|1,1,0]=4 765 B4R0.1 C(C(=O)[O-])N G156806 [2,0,0,0,0,0|1,1,0]=4 766 B4R0.1 C(C(=O)[O-])N G168473 [2,0,0,0,0,0|1,1,0]=4 767 B4R0.1 C(C(=O)[O-])N M302926 [2,0,0,0,0,0|1,1,0]=4 768 B4R0.1 C(C(=O)[O-])O C154022 [2,0,0,0,0,0|1,1,0]=4 769 B4R0.1 C(C(=O)[O-])O C347797 [2,0,0,0,0,0|1,1,0]=4 770 B4R0.1 C(C(=O)[O-])O S102872 [2,0,0,0,0,0|1,1,0]=4 771 B4R0.1 C(C(=O)[O-])S A109096 [2,0,0,0,0,0|1,0,0]=3 772 B4R0.1 C(C(=O)[O-])S C154034 [2,0,0,0,0,0|1,0,0]=3 773 B4R0.1 C(C(=O)[O-])S S105664 [2,0,0,0,0,0|1,0,0]=3 774 B4R0.1 CC(=C)CBr B101577 [2,0,0,0,0,0|2,0,0]=4 775 B4R0.1 CC(=C)CCl C106528 [2,0,0,0,0,0|2,0,0]=4 776 B4R0.1 CC(=C)CN M158608 [2,0,0,0,0,0|2,0,0]=4 777 B4R0.1 CC(=C)CO M107570 [2,0,0,0,0,0|1,1,0]=4 778 B4R0.1 CC(=O)C#C B101576 [2,0,0,0,0,0|0,0,2]=4 779 B4R0.1 CC(=O)C#N P466890 [2,0,0,0,0,0|1,0,1]=4 780 B4R0.1 CC(=O)C=O M109035 [2,0,0,0,0,0|0,1,1]=4 781 B4R0.1 CC(=O)C=O M109036 [2,0,0,0,0,0|0,1,1]=4 782 B4R0.1 CC(=O)CF F170335 [2,0,0,0,0,0|1,0,0]=3 783 B4R0.1 CC(=O)CN A186558 [2,0,0,0,0,0|1,0,0]=3 784 B4R0.1 CC(=O)CN A485063 [2,0,0,0,0,0|1,0,0]=3 785 B4R0.1 CC(=O)CO H111149 [2,0,0,0,0,0|0,1,0]=3 786 B4R0.1 CC(=O)NBr N159711 [2,0,0,0,0,0|2,0,0]=4 787 B4R0.1 CC(=O)NC M106450 [2,0,0,0,0,0|1,0,0]=3 788 B4R0.1 CC(=O)NN A151537 [2,0,0,0,0,0|2,0,0]=4 789 B4R0.1 CC(=O)NO A106239 [2,0,0,0,0,0|1,1,0]=4 790 B4R0.1 CC(=O)OC M103353 [2,0,0,0,0,0|0,1,0]=3 791 B4R0.1 CC(=O)OC M103354 [2,0,0,0,0,0|0,1,0]=3 792 B4R0.1 CC(=O)OC M103356 [2,0,0,0,0,0|0,1,0]=3 793 B4R0.1 CC(=O)OC M103357 [2,0,0,0,0,0|0,1,0]=3 794 B4R0.1 CC(=O)OC M103358 [2,0,0,0,0,0|0,1,0]=3 795 B4R0.1 CC(=O)OC M103359 [2,0,0,0,0,0|0,1,0]=3 796 B4R0.1 CC(=O)O[Al] A283286 [2,0,0,0,0,0|1,1,0]=4 797 B4R0.1 CC(=O)SC S161332 [2,0,0,0,0,0|0,0,0]=2 798 B4R0.1 CC(C)CS M102325 [2,0,0,0,0,0|1,0,1]=4 799 B4R0.1 CC(C)SC I132403 [2,0,0,0,0,0|1,0,1]=4 800 B4R0.1 CC(CS)S P160528 [2,0,0,0,0,0|0,1,1]=4 801 B4R0.1 CC=C(C)Br B151979 [2,0,0,0,0,0|1,0,1]=4 802 B4R0.1 CC=C(C)Cl C153915 [2,0,0,0,0,0|1,0,1]=4 803 B4R0.1 CCC(=N)N P588869 [2,0,0,0,0,0|2,0,0]=4 804 B4R0.1 CCC(=O)Br P107847 [2,0,0,0,0,0|1,0,0]=3 805 B4R0.1 CCC(=O)C B471974 [2,0,0,0,0,0|0,0,0]=2 806 B4R0.1 CCC(=O)Cl P108665 [2,0,0,0,0,0|1,0,0]=3 807 B4R0.1 CCC(=O)N P104016 [2,0,0,0,0,0|1,0,0]=3 808 B4R0.1 CCC(=O)O P110443 [2,0,0,0,0,0|0,1,0]=3 809 B4R0.1 CCC(=O)O P110444 [2,0,0,0,0,0|0,1,0]=3 810 B4R0.1 CCC(=O)O P110445 [2,0,0,0,0,0|0,1,0]=3 811 B4R0.1 CCC(=O)O P110446 [2,0,0,0,0,0|0,1,0]=3 812 B4R0.1 CCC(=O)O P110447 [2,0,0,0,0,0|0,1,0]=3 813 B4R0.1 CCC(=O)O P301795 [2,0,0,0,0,0|0,1,0]=3 814 B4R0.1 CCC(=O)O P343294 [2,0,0,0,0,0|0,1,0]=3 815 B4R0.1 CCC(=O)O P346208 [2,0,0,0,0,0|0,1,0]=3 816 B4R0.1 CCC(=O)O P434195 [2,0,0,0,0,0|0,1,0]=3 817 B4R0.1 CCC(=O)[O-] C112470 [2,0,0,0,0,0|0,1,0]=3 818 B4R0.1 CCC(=O)[O-] C112471 [2,0,0,0,0,0|0,1,0]=3 819 B4R0.1 CCC(=O)[O-] C492256 [2,0,0,0,0,0|0,1,0]=3 820 B4R0.1 CCC(=O)[O-] P160177 [2,0,0,0,0,0|0,1,0]=3 821 B4R0.1 CCC(=O)[O-] S100120 [2,0,0,0,0,0|0,1,0]=3 822 B4R0.1 CCC(=O)[O-] S100121 [2,0,0,0,0,0|0,1,0]=3 823 B4R0.1 CCC(=O)[O-] S100122 [2,0,0,0,0,0|0,1,0]=3 824 B4R0.1 CCC(=O)[O-] S346177 [2,0,0,0,0,0|0,1,0]=3 825 B4R0.1 CCC(=O)[O-] Z346699 [2,0,0,0,0,0|0,1,0]=3 826 B4R0.1 CCC(C)Br B109117 [2,0,0,0,0,0|1,0,1]=4 827 B4R0.1 CCC(C)Br B109118 [2,0,0,0,0,0|1,0,1]=4 828 B4R0.1 CCC(C)Cl C109267 [2,0,0,0,0,0|1,0,1]=4 829 B4R0.1 CCC(C)Cl C109268 [2,0,0,0,0,0|1,0,1]=4 830 B4R0.1 CCC(C)I B105795 [2,0,0,0,0,0|1,0,1]=4 831 B4R0.1 CCC(C)N B105239 [2,0,0,0,0,0|1,0,1]=4 832 B4R0.1 CCC(C)N I166970 [2,0,0,0,0,0|1,0,1]=4 833 B4R0.1 CCC(C)N S161321 [2,0,0,0,0,0|1,0,1]=4 834 B4R0.1 CCC(C)O B110360 [2,0,0,0,0,0|0,0,2]=4 835 B4R0.1 CCC(C)O B110361 [2,0,0,0,0,0|0,0,2]=4 836 B4R0.1 CCC(C)O B110362 [2,0,0,0,0,0|0,0,2]=4 837 B4R0.1 CCC(C)O B110365 [2,0,0,0,0,0|0,0,2]=4 838 B4R0.1 CCC(C)O R138264 [2,0,0,0,0,0|0,0,2]=4 839 B4R0.1 CCC(C)O S138824 [2,0,0,0,0,0|0,0,2]=4 840 B4R0.1 CCC(C)S B102330 [2,0,0,0,0,0|0,1,1]=4 841 B4R0.1 CCS(=O)[O-] S182544 [2,0,0,0,0,0|1,1,0]=4 842 B4R0.1 CC[Si](C)C E194931 [2,0,0,0,0,0|1,1,0]=4 843 B4R0.1 CNC(=O)Cl M304270 [2,0,0,0,0,0|2,0,0]=4 844 B4R0.1 CNC(=O)N M107951 [2,0,0,0,0,0|2,0,0]=4 845 B4R0.1 COC(=O)N M110332 [2,0,0,0,0,0|1,1,0]=4 846 B4R0.1 CSC(=N)N M108041 [2,0,0,0,0,0|2,0,0]=4 847 B4R0.2 C(CN)CS A476835 [2,0,0,0,0,0|1,0,1]=4 848 B4R0.2 C(CO)C=O H588118 [2,0,0,0,0,0|2,0,0]=4 849 B4R0.2 C(CO)CS M158215 [2,0,0,0,0,0|1,0,1]=4 850 B4R0.2 C(CS)CS P100845 [2,0,0,0,0,0|1,0,1]=4 851 B4R0.2 CC=CCCl C153477 [2,0,0,0,0,0|1,0,1]=4 852 B4R0.2 CC=CCCl C153917 [2,0,0,0,0,0|1,0,1]=4 853 B4R0.2 CC=CCO C106252 [2,0,0,0,0,0|0,1,1]=4 854 B4R0.2 CCC#CC P160658 [2,0,0,0,0,0|0,0,2]=4 855 B4R0.2 CCC=C=C P160269 [2,0,0,0,0,0|0,0,2]=4 856 B4R0.2 CCCC=O B100299 [2,0,0,0,0,0|1,0,0]=3 857 B4R0.2 CCCC=O B100302 [2,0,0,0,0,0|1,0,0]=3 858 B4R0.2 CCCC=O B305593 [2,0,0,0,0,0|1,0,0]=3 859 B4R0.2 CCCCBr B105250 [2,0,0,0,0,0|1,0,1]=4 860 B4R0.2 CCCCBr B105252 [2,0,0,0,0,0|1,0,1]=4 861 B4R0.2 CCCCBr B105256 [2,0,0,0,0,0|1,0,1]=4 862 B4R0.2 CCCCBr B472078 [2,0,0,0,0,0|1,0,1]=4 863 B4R0.2 CCCCCl C103252 [2,0,0,0,0,0|1,0,1]=4 864 B4R0.2 CCCCCl C103253 [2,0,0,0,0,0|1,0,1]=4 865 B4R0.2 CCCCCl C103255 [2,0,0,0,0,0|1,0,1]=4 866 B4R0.2 CCCCCl C103256 [2,0,0,0,0,0|1,0,1]=4 867 B4R0.2 CCCCCl C118434 [2,0,0,0,0,0|1,0,1]=4 868 B4R0.2 CCCCI I108560 [2,0,0,0,0,0|1,0,1]=4 869 B4R0.2 CCCCN B110356 [2,0,0,0,0,0|1,0,1]=4 870 B4R0.2 CCCCN B110357 [2,0,0,0,0,0|1,0,1]=4 871 B4R0.2 CCCCN B110358 [2,0,0,0,0,0|1,0,1]=4 872 B4R0.2 CCCCN B110359 [2,0,0,0,0,0|1,0,1]=4 873 B4R0.2 CCCCN B152519 [2,0,0,0,0,0|1,0,1]=4 874 B4R0.2 CCCCN B152886 [2,0,0,0,0,0|1,0,1]=4 875 B4R0.2 CCCCN B152948 [2,0,0,0,0,0|1,0,1]=4 876 B4R0.2 CCCCN B491792 [2,0,0,0,0,0|1,0,1]=4 877 B4R0.2 CCCCN B492127 [2,0,0,0,0,0|1,0,1]=4 878 B4R0.2 CCCCN B492132 [2,0,0,0,0,0|1,0,1]=4 879 B4R0.2 CCCCN B492157 [2,0,0,0,0,0|1,0,1]=4 880 B4R0.2 CCCCN B494094 [2,0,0,0,0,0|1,0,1]=4 881 B4R0.2 CCCCO B111569 [2,0,0,0,0,0|0,1,1]=4 882 B4R0.2 CCCCO B111571 [2,0,0,0,0,0|0,1,1]=4 883 B4R0.2 CCCCO B111573 [2,0,0,0,0,0|0,1,1]=4 884 B4R0.2 CCCCO B111575 [2,0,0,0,0,0|0,1,1]=4 885 B4R0.2 CCCCO B111577 [2,0,0,0,0,0|0,1,1]=4 886 B4R0.2 CCCCO B111578 [2,0,0,0,0,0|0,1,1]=4 887 B4R0.2 CCCCO B111580 [2,0,0,0,0,0|0,1,1]=4 888 B4R0.2 CCCCO B111581 [2,0,0,0,0,0|0,1,1]=4 889 B4R0.2 CCCCO B119677 [2,0,0,0,0,0|0,1,1]=4 890 B4R0.2 CCCCO B400251 [2,0,0,0,0,0|0,1,1]=4 891 B4R0.2 CCCCO B433378 [2,0,0,0,0,0|0,1,1]=4 892 B4R0.2 CCCCO B474143 [2,0,0,0,0,0|0,1,1]=4 893 B4R0.2 CCCCO H348242 [2,0,0,0,0,0|0,1,1]=4 894 B4R0.2 CCCCO P340766 [2,0,0,0,0,0|0,1,1]=4 895 B4R0.2 CCCCS B105716 [2,0,0,0,0,0|0,0,1]=3 896 B4R0.2 CCCCS B105717 [2,0,0,0,0,0|0,0,1]=3 897 B4R0.2 CCCC[CH2-] P331063 [2,0,0,0,0,0|0,0,2]=4 898 B4R0.2 CCCC[CH2-] P466408 [2,0,0,0,0,0|0,0,2]=4 899 B4R0.2 CCCC[O-] N335856 [2,0,0,0,0,0|0,1,1]=4 900 B4R0.2 CCCC[O-] T104104 [2,0,0,0,0,0|0,1,1]=4 901 B4R0.2 CCCC[O-] T104105 [2,0,0,0,0,0|0,1,1]=4 902 B4R0.2 CCCC[O-] T304454 [2,0,0,0,0,0|0,1,1]=4 903 B4R0.2 CCCC[O-] T350722 [2,0,0,0,0,0|0,1,1]=4 904 B4R0.2 CCCC[O-] Z106334 [2,0,0,0,0,0|0,1,1]=4 905 B4R0.2 CCCNC M124663 [2,0,0,0,0,0|1,0,0]=3 906 B4R0.2 CCCSC M158417 [2,0,0,0,0,0|0,0,0]=2 907 B4R0.2 CCNC=O N159329 [2,0,0,0,0,0|2,0,0]=4 908 B4R0.2 CCNCC D110465 [2,0,0,0,0,0|1,0,0]=3 909 B4R0.2 CCNCC D110466 [2,0,0,0,0,0|1,0,0]=3 910 B4R0.2 CCNCC D110469 [2,0,0,0,0,0|1,0,0]=3 911 B4R0.2 CCNCC D110470 [2,0,0,0,0,0|1,0,0]=3 912 B4R0.2 CCNCC D154676 [2,0,0,0,0,0|1,0,0]=3 913 B4R0.2 CCNCC D155612 [2,0,0,0,0,0|1,0,0]=3 914 B4R0.2 CCNCC E102892 [2,0,0,0,0,0|1,0,0]=3 915 B4R0.2 CCNCC E102893 [2,0,0,0,0,0|1,0,0]=3 916 B4R0.2 CCOC=O E110412 [2,0,0,0,0,0|2,0,0]=4 917 B4R0.2 CCOC=O E110414 [2,0,0,0,0,0|2,0,0]=4 918 B4R0.2 CCOC=O E110415 [2,0,0,0,0,0|2,0,0]=4 919 B4R0.2 CCOC=O E110417 [2,0,0,0,0,0|2,0,0]=4 920 B4R0.2 CCOC=O E139940 [2,0,0,0,0,0|2,0,0]=4 921 B4R0.2 CCOCC B104430 [2,0,0,0,0,0|1,0,0]=3 922 B4R0.2 CCOCC B104431 [2,0,0,0,0,0|1,0,0]=3 923 B4R0.2 CCOCC B299094 [2,0,0,0,0,0|1,0,0]=3 924 B4R0.2 CCOCC B431395 [2,0,0,0,0,0|1,0,0]=3 925 B4R0.2 CCOCC M345280 [2,0,0,0,0,0|1,0,0]=3 926 B4R0.2 CCOCC T189182 [2,0,0,0,0,0|1,0,0]=3 927 B4R0.2 CCOCC T498340 [2,0,0,0,0,0|1,0,0]=3 928 B4R0.2 CCOCCl C137178 [2,0,0,0,0,0|2,0,0]=4 929 B4R0.2 CCSCC C130098 [2,0,0,0,0,0|1,0,0]=3 930 B4R0.2 CCSCC D105796 [2,0,0,0,0,0|1,0,0]=3 931 B4R0.2 CC[N-]CC L283253 [2,0,0,0,0,0|1,0,0]=3 932 B4R0.2 CC[Si]CC D331180 [2,0,0,0,0,0|0,1,0]=3 933 B4R0.2 CNCC=C I136680 [2,0,0,0,0,0|1,0,1]=4 934 B4R0.2 CNCCBr B589001 [2,0,0,0,0,0|2,0,0]=4 935 B4R0.2 CNCCCl M303747 [2,0,0,0,0,0|2,0,0]=4 936 B4R0.2 CNCCN N159347 [2,0,0,0,0,0|2,0,0]=4 937 B4R0.2 CNCCO M106448 [2,0,0,0,0,0|2,0,0]=4 938 B4R0.2 CNCCO M589702 [2,0,0,0,0,0|2,0,0]=4 939 B4R0.2 COCC=C A135232 [2,0,0,0,0,0|0,1,1]=4 940 B4R0.2 COCCBr B139139 [2,0,0,0,0,0|1,1,0]=4 941 B4R0.2 COCCCl C108060 [2,0,0,0,0,0|1,1,0]=4 942 B4R0.2 COCCN M138018 [2,0,0,0,0,0|1,1,0]=4 943 B4R0.2 COCCN M404735 [2,0,0,0,0,0|1,1,0]=4 944 B4R0.2 COCCN M493557 [2,0,0,0,0,0|1,1,0]=4 945 B4R0.2 COCCO M102852 [2,0,0,0,0,0|1,1,0]=4 946 B4R0.2 COCCO M102853 [2,0,0,0,0,0|1,1,0]=4 947 B4R0.2 COCCO M102854 [2,0,0,0,0,0|1,1,0]=4 948 B4R0.2 COCCO M102855 [2,0,0,0,0,0|1,1,0]=4 949 B4R0.2 COCCO M102856 [2,0,0,0,0,0|1,1,0]=4 950 B4R0.2 COCCO M102857 [2,0,0,0,0,0|1,1,0]=4 951 B4R0.2 COCCO M102858 [2,0,0,0,0,0|1,1,0]=4 952 B4R0.2 COCCO M119725 [2,0,0,0,0,0|1,1,0]=4 953 B4R0.2 COCOC D101433 [2,0,0,0,0,0|1,1,0]=4 954 B4R0.2 COCOC D101436 [2,0,0,0,0,0|1,1,0]=4 955 B4R0.2 COCOC F431409 [2,0,0,0,0,0|1,1,0]=4 956 B4R0.2 CSCC#N M158307 [2,0,0,0,0,0|1,0,1]=4 957 B4R0.2 CSCC=C A101060 [2,0,0,0,0,0|0,0,1]=3 958 B4R0.2 CSCCCl C153648 [2,0,0,0,0,0|1,0,0]=3 959 B4R0.2 CSCCN M113671 [2,0,0,0,0,0|1,0,0]=3 960 B4R0.2 CSCCN M194629 [2,0,0,0,0,0|1,0,0]=3 961 B4R0.2 CSCCO M138946 [2,0,0,0,0,0|1,0,0]=3 962 B4R0.2 CSCSC B140648 [2,0,0,0,0,0|1,0,0]=3 963 B4R0.2 CSSSC D103087 [2,0,0,0,0,0|2,0,0]=4 964 B6R0.2 CC(=C)OC(=O)C I108612 [1,1,0,0,0,0|2,0,0]=4 965 B6R0.2 CC(=CC(=O)C)C M105926 [1,1,0,0,0,0|1,0,1]=4 966 B6R0.2 CC(=CC(=O)C)C M105927 [1,1,0,0,0,0|1,0,1]=4 967 B6R0.2 CC(=CC(=O)C)C M105928 [1,1,0,0,0,0|1,0,1]=4 968 B6R0.2 CC(=CC(=O)C)N F156686 [1,1,0,0,0,0|1,0,1]=4 969 B6R0.2 CC(=CC(=O)C)O A118525 [1,1,0,0,0,0|1,0,1]=4 970 B6R0.2 CC(=CC(=O)C)O A118538 [1,1,0,0,0,0|1,0,1]=4 971 B6R0.2 CC(=CC(=O)C)O A579873 [1,1,0,0,0,0|1,0,1]=4 972 B6R0.2 CC(=CC(=O)C)O B152272 [1,1,0,0,0,0|1,0,1]=4 973 B6R0.2 CC(=CC(=O)C)O C109323 [1,1,0,0,0,0|1,0,1]=4 974 B6R0.2 CC(=CC(=O)C)O C140817 [1,1,0,0,0,0|1,0,1]=4 975 B6R0.2 CC(=CC(=O)C)O C283471 [1,1,0,0,0,0|1,0,1]=4 976 B6R0.2 CC(=CC(=O)C)O C486854 [1,1,0,0,0,0|1,0,1]=4 977 B6R0.2 CC(=CC(=O)C)O D302912 [1,1,0,0,0,0|1,0,1]=4 978 B6R0.2 CC(=CC(=O)C)O E302901 [1,1,0,0,0,0|1,0,1]=4 979 B6R0.2 CC(=CC(=O)C)O E347622 [1,1,0,0,0,0|1,0,1]=4 980 B6R0.2 CC(=CC(=O)C)O G304265 [1,1,0,0,0,0|1,0,1]=4 981 B6R0.2 CC(=CC(=O)C)O H107857 [1,1,0,0,0,0|1,0,1]=4 982 B6R0.2 CC(=CC(=O)C)O I138305 [1,1,0,0,0,0|1,0,1]=4 983 B6R0.2 CC(=CC(=O)C)O I294571 [1,1,0,0,0,0|1,0,1]=4 984 B6R0.2 CC(=CC(=O)C)O M106182 [1,1,0,0,0,0|1,0,1]=4 985 B6R0.2 CC(=CC(=O)C)O P101065 [1,1,0,0,0,0|1,0,1]=4 986 B6R0.2 CC(=CC(=O)C)O P119025 [1,1,0,0,0,0|1,0,1]=4 987 B6R0.2 CC(=CC(=O)C)O P119026 [1,1,0,0,0,0|1,0,1]=4 988 B6R0.2 CC(=CC(=O)C)O P293928 [1,1,0,0,0,0|1,0,1]=4 989 B6R0.2 CC(=CC(=O)C)O R118502 [1,1,0,0,0,0|1,0,1]=4 990 B6R0.2 CC(=CC(=O)C)O R118539 [1,1,0,0,0,0|1,0,1]=4 991 B6R0.2 CC(=CC(=O)C)O R118540 [1,1,0,0,0,0|1,0,1]=4 992 B6R0.2 CC(=CC(=O)C)O R294372 [1,1,0,0,0,0|1,0,1]=4 993 B6R0.2 CC(=CC(=O)C)O R639975 [1,1,0,0,0,0|1,0,1]=4 994 B6R0.2 CC(=CC(=O)C)O S298504 [1,1,0,0,0,0|1,0,1]=4 995 B6R0.2 CC(=CC(=O)C)O T283063 [1,1,0,0,0,0|1,0,1]=4 996 B6R0.2 CC(=CC(=O)C)O T302818 [1,1,0,0,0,0|1,0,1]=4 997 B6R0.2 CC(=CC(=O)C)O T302908 [1,1,0,0,0,0|1,0,1]=4 998 B6R0.2 CC(=CC(=O)C)O V109324 [1,1,0,0,0,0|1,0,1]=4 999 B6R0.2 CC(=CC(=O)C)O V109325 [1,1,0,0,0,0|1,0,1]=4 1000 B6R0.2 CC(=CC(=O)C)O Y191992 [1,1,0,0,0,0|1,0,1]=4 1001 B6R0.2 CC(=CC(=O)C)O Y283039 [1,1,0,0,0,0|1,0,1]=4 1002 B6R0.2 CC(=CC(=O)C)[O-] B107855 [1,1,0,0,0,0|1,0,1]=4 1003 B6R0.2 CC(=CC(=O)C)[O-] B109340 [1,1,0,0,0,0|1,0,1]=4 1004 B6R0.2 CC(=CC(=O)C)[O-] B152965 [1,1,0,0,0,0|1,0,1]=4 1005 B6R0.2 CC(=CC(=O)C)[O-] B283467 [1,1,0,0,0,0|1,0,1]=4 1006 B6R0.2 CC(=CC(=O)C)[O-] C100527 [1,1,0,0,0,0|1,0,1]=4 1007 B6R0.2 CC(=CC(=O)C)[O-] C432320 [1,1,0,0,0,0|1,0,1]=4 1008 B6R0.2 CC(=CC(=O)C)[O-] H302906 [1,1,0,0,0,0|1,0,1]=4 1009 B6R0.2 CC(=CC(=O)C)[O-] I106157 [1,1,0,0,0,0|1,0,1]=4 1010 B6R0.2 CC(=CC(=O)C)[O-] L102502 [1,1,0,0,0,0|1,0,1]=4 1011 B6R0.2 CC(=CC(=O)C)[O-] M107860 [1,1,0,0,0,0|1,0,1]=4 1012 B6R0.2 CC(=CC(=O)C)[O-] N105676 [1,1,0,0,0,0|1,0,1]=4 1013 B6R0.2 CC(=CC(=O)C)[O-] N107859 [1,1,0,0,0,0|1,0,1]=4 1014 B6R0.2 CC(=CC(=O)C)[O-] N359157 [1,1,0,0,0,0|1,0,1]=4 1015 B6R0.2 CC(=CC(=O)C)[O-] S488282 [1,1,0,0,0,0|1,0,1]=4 1016 B6R0.2 CC(=CC(=O)C)[O-] T161967 [1,1,0,0,0,0|1,0,1]=4 1017 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [1,1,0,0,0,0|1,0,1]=4 1018 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [1,1,0,0,0,0|1,0,1]=4 1019 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [1,1,0,0,0,0|1,0,1]=4 1020 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [1,1,0,0,0,0|1,0,1]=4 1021 B6R0.2 CC(=O)CC(=O)C A110366 [1,1,0,0,0,0|1,0,0]=3 1022 B6R0.2 CC(=O)CC(=O)C A110367 [1,1,0,0,0,0|1,0,0]=3 1023 B6R0.2 CC(=O)CC(=O)C A110370 [1,1,0,0,0,0|1,0,0]=3 1024 B6R0.2 CC(=O)CC(=O)N A194123 [1,1,0,0,0,0|2,0,0]=4 1025 B6R0.2 CC(=O)CC(=O)[O-] L102932 [1,1,0,0,0,0|2,0,0]=4 1026 B6R0.2 CC(=O)CC(=O)[O-] L490061 [1,1,0,0,0,0|2,0,0]=4 1027 B6R0.2 CC(=O)CN(C)C D167514 [1,1,0,0,0,0|1,0,0]=3 1028 B6R0.2 CC(=O)OC(=O)C A302240 [1,1,0,0,0,0|2,0,0]=4 1029 B6R0.2 CC(=O)OC(=O)C A474130 [1,1,0,0,0,0|2,0,0]=4 1030 B6R0.2 CC(=O)SC(=O)C A151355 [1,1,0,0,0,0|2,0,0]=4 1031 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [1,1,0,0,0,0|1,0,1]=4 1032 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [1,1,0,0,0,0|1,0,1]=4 1033 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [1,1,0,0,0,0|1,0,1]=4 1034 B6R0.2 CC(C)CC(=O)C M108736 [1,1,0,0,0,0|1,0,0]=3 1035 B6R0.2 CC(C)CC(=O)C M108737 [1,1,0,0,0,0|1,0,0]=3 1036 B6R0.2 CC(C)CC(=O)C M108738 [1,1,0,0,0,0|1,0,0]=3 1037 B6R0.2 CC(C)CC(=O)C M108740 [1,1,0,0,0,0|1,0,0]=3 1038 B6R0.2 CC(C)CC(=O)C M108741 [1,1,0,0,0,0|1,0,0]=3 1039 B6R0.2 CC(C)CC(=O)C M492092 [1,1,0,0,0,0|1,0,0]=3 1040 B6R0.2 CC(C)CC(=O)Cl I157679 [1,1,0,0,0,0|2,0,0]=4 1041 B6R0.2 CC(C)CC(=O)O I108280 [1,1,0,0,0,0|2,0,0]=4 1042 B6R0.2 CC(C)CC(=O)O I108281 [1,1,0,0,0,0|2,0,0]=4 1043 B6R0.2 CC(C)CC(=O)O I424338 [1,1,0,0,0,0|2,0,0]=4 1044 B6R0.2 CC(C)CC(=O)O I432771 [1,1,0,0,0,0|2,0,0]=4 1045 B6R0.2 CC(C)NC(=O)C N586389 [1,1,0,0,0,0|2,0,0]=4 1046 B6R0.2 CC(C)OC(=O)C I103453 [1,1,0,0,0,0|2,0,0]=4 1047 B6R0.2 CC(C)OC(=O)C I103454 [1,1,0,0,0,0|2,0,0]=4 1048 B6R0.2 CC(C)OC(=O)C I103455 [1,1,0,0,0,0|2,0,0]=4 1049 B6R0.2 CC(CC(=O)O)Br B169132 [1,1,0,0,0,0|2,0,0]=4 1050 B6R0.2 CC(CC(=O)O)Cl C153466 [1,1,0,0,0,0|2,0,0]=4 1051 B6R0.2 CC(CC(=O)O)N A100948 [1,1,0,0,0,0|2,0,0]=4 1052 B6R0.2 CC(CC(=O)O)N H117041 [1,1,0,0,0,0|2,0,0]=4 1053 B6R0.2 CC(CC(=O)O)N R184127 [1,1,0,0,0,0|2,0,0]=4 1054 B6R0.2 CC(CC(=O)O)N S193074 [1,1,0,0,0,0|2,0,0]=4 1055 B6R0.2 CC(CC(=O)O)O P347707 [1,1,0,0,0,0|2,0,0]=4 1056 B6R0.2 CC(CC(=O)O)O R304188 [1,1,0,0,0,0|2,0,0]=4 1057 B6R0.2 CC(CC(=O)O)O R425172 [1,1,0,0,0,0|2,0,0]=4 1058 B6R0.2 CC(CC(=O)O)O S161108 [1,1,0,0,0,0|2,0,0]=4 1059 B6R0.2 CC(CC(=O)O)O S194215 [1,1,0,0,0,0|2,0,0]=4 1060 B6R0.2 CC(CC(=O)[O-])O B301134 [1,1,0,0,0,0|2,0,0]=4 1061 B6R0.2 CC(CC(=O)[O-])O H121822 [1,1,0,0,0,0|2,0,0]=4 1062 B6R0.2 CC(CC(=O)[O-])O X131756 [1,1,0,0,0,0|2,0,0]=4 1063 B6R0.2 CC(OC(=O)C)Br B303662 [1,1,0,0,0,0|2,0,0]=4 1064 B6R0.2 CN(C)CC(=O)O D115675 [1,1,0,0,0,0|2,0,0]=4 1065 B6R0.2 CN(C)CC(=O)O N159831 [1,1,0,0,0,0|2,0,0]=4 1066 B6R0.2 CN(C)CC(=O)O N420632 [1,1,0,0,0,0|2,0,0]=4 1067 B6R0.3 CC(=O)C(=O)OC M136953 [1,1,0,0,0,0|0,1,1]=4 1068 B6R0.3 CC(=O)N(C)OC N159405 [1,1,0,0,0,0|1,1,0]=4 1069 B6R0.3 CC(C(=O)O)NC I133832 [1,1,0,0,0,0|2,0,0]=4 1070 B6R0.3 CC(C(=O)O)NC I135858 [1,1,0,0,0,0|2,0,0]=4 1071 B6R0.3 CC(C(=O)O)NC N303350 [1,1,0,0,0,0|2,0,0]=4 1072 B6R0.3 CC(C(=O)O)OC M193402 [1,1,0,0,0,0|1,1,0]=4 1073 B6R0.3 CC(C(=O)O)OC P477810 [1,1,0,0,0,0|1,1,0]=4 1074 B6R0.3 CC=C(C)C(=O)C M158812 [1,1,0,0,0,0|1,0,1]=4 1075 B6R0.3 CC=C(C)C(=O)C M401547 [1,1,0,0,0,0|1,0,1]=4 1076 B6R0.3 CCC(=O)C(=O)C P106293 [1,1,0,0,0,0|1,0,1]=4 1077 B6R0.3 CCC(C(=O)Br)Br B135808 [1,1,0,0,0,0|2,0,0]=4 1078 B6R0.3 CCC(C(=O)C)S M102973 [1,1,0,0,0,0|1,0,0]=3 1079 B6R0.3 CCC(C(=O)Cl)Br B192121 [1,1,0,0,0,0|2,0,0]=4 1080 B6R0.3 CCC(C(=O)Cl)Cl C139250 [1,1,0,0,0,0|2,0,0]=4 1081 B6R0.3 CCC(C(=O)N)Cl B301389 [1,1,0,0,0,0|2,0,0]=4 1082 B6R0.3 CCC(C(=O)N)N A119770 [1,1,0,0,0,0|2,0,0]=4 1083 B6R0.3 CCC(C(=O)N)N A124384 [1,1,0,0,0,0|2,0,0]=4 1084 B6R0.3 CCC(C(=O)O)Br B108037 [1,1,0,0,0,0|2,0,0]=4 1085 B6R0.3 CCC(C(=O)O)Cl C153465 [1,1,0,0,0,0|2,0,0]=4 1086 B6R0.3 CCC(C(=O)O)Cl S161173 [1,1,0,0,0,0|2,0,0]=4 1087 B6R0.3 CCC(C(=O)O)N A109788 [1,1,0,0,0,0|2,0,0]=4 1088 B6R0.3 CCC(C(=O)O)N A111241 [1,1,0,0,0,0|2,0,0]=4 1089 B6R0.3 CCC(C(=O)O)N A111260 [1,1,0,0,0,0|2,0,0]=4 1090 B6R0.3 CCC(C(=O)O)N A414642 [1,1,0,0,0,0|2,0,0]=4 1091 B6R0.3 CCC(C(=O)O)N D422924 [1,1,0,0,0,0|2,0,0]=4 1092 B6R0.3 CCC(C(=O)O)O D298806 [1,1,0,0,0,0|2,0,0]=4 1093 B6R0.3 CCC(C(=O)O)O S192800 [1,1,0,0,0,0|2,0,0]=4 1094 B6R0.3 CCC(C(=O)[O-])O H101414 [1,1,0,0,0,0|2,0,0]=4 1095 B6R0.3 CCC(C)C(=O)C M158800 [1,1,0,0,0,0|1,0,0]=3 1096 B6R0.3 CCC(C)C(=O)O I167890 [1,1,0,0,0,0|2,0,0]=4 1097 B6R0.3 CCC(C)C(=O)O M107377 [1,1,0,0,0,0|2,0,0]=4 1098 B6R0.3 CCN(C)C(=O)C N193140 [1,1,0,0,0,0|2,0,0]=4 1099 B6R0.4 C(CC(=O)Cl)CBr B102197 [1,1,0,0,0,0|2,0,0]=4 1100 B6R0.4 C(CC(=O)Cl)CCl C109449 [1,1,0,0,0,0|2,0,0]=4 1101 B6R0.4 C(CC(=O)N)CCl C168978 [1,1,0,0,0,0|2,0,0]=4 1102 B6R0.4 C(CC(=O)O)CBr B106907 [1,1,0,0,0,0|2,0,0]=4 1103 B6R0.4 C(CC(=O)O)CCl C134513 [1,1,0,0,0,0|2,0,0]=4 1104 B6R0.4 C(CC(=O)O)CN A104200 [1,1,0,0,0,0|2,0,0]=4 1105 B6R0.4 C(CC(=O)O)CN A293557 [1,1,0,0,0,0|2,0,0]=4 1106 B6R0.4 C(CC(=O)O)CN A424756 [1,1,0,0,0,0|2,0,0]=4 1107 B6R0.4 C(CC(=O)O)CN A468499 [1,1,0,0,0,0|2,0,0]=4 1108 B6R0.4 C(CC(=O)O)CN A472038 [1,1,0,0,0,0|2,0,0]=4 1109 B6R0.4 C(CC(=O)O)CN G276591 [1,1,0,0,0,0|2,0,0]=4 1110 B6R0.4 CC(=O)C=COC M113467 [1,1,0,0,0,0|0,1,1]=4 1111 B6R0.4 CC(=O)C=COC M434875 [1,1,0,0,0,0|0,1,1]=4 1112 B6R0.4 CC(=O)CCC=C H113634 [1,1,0,0,0,0|1,0,1]=4 1113 B6R0.4 CC(=O)CCCBr B345087 [1,1,0,0,0,0|1,0,0]=3 1114 B6R0.4 CC(=O)CCCCl C108070 [1,1,0,0,0,0|1,0,0]=3 1115 B6R0.4 CC(=O)CCSC M135087 [1,1,0,0,0,0|0,0,0]=2 1116 B6R0.4 CC(=O)NCC#N I170553 [1,1,0,0,0,0|2,0,0]=4 1117 B6R0.4 CC(=O)NCCN A117219 [1,1,0,0,0,0|2,0,0]=4 1118 B6R0.4 CC(=O)NCCO A112970 [1,1,0,0,0,0|2,0,0]=4 1119 B6R0.4 CC(=O)NCCO A112971 [1,1,0,0,0,0|2,0,0]=4 1120 B6R0.4 CC(=O)NCCS N347842 [1,1,0,0,0,0|2,0,0]=4 1121 B6R0.4 CC(=O)OCC#C P304196 [1,1,0,0,0,0|1,0,1]=4 1122 B6R0.4 CC(=O)OCC=C A107305 [1,1,0,0,0,0|1,0,1]=4 1123 B6R0.4 CC(=O)OCCBr B102635 [1,1,0,0,0,0|2,0,0]=4 1124 B6R0.4 CC(=O)OCCCl A140396 [1,1,0,0,0,0|2,0,0]=4 1125 B6R0.4 CC(=O)OCCN A588049 [1,1,0,0,0,0|2,0,0]=4 1126 B6R0.4 CC(=O)OCCO H156959 [1,1,0,0,0,0|2,0,0]=4 1127 B6R0.4 CC(=O)SCCN T340735 [1,1,0,0,0,0|2,0,0]=4 1128 B6R0.4 CC=CCC(=O)O P165142 [1,1,0,0,0,0|2,0,0]=4 1129 B6R0.4 CCCCC(=O)Br V162931 [1,1,0,0,0,0|2,0,0]=4 1130 B6R0.4 CCCCC(=O)C H105743 [1,1,0,0,0,0|1,0,0]=3 1131 B6R0.4 CCCCC(=O)C H105744 [1,1,0,0,0,0|1,0,0]=3 1132 B6R0.4 CCCCC(=O)C H111491 [1,1,0,0,0,0|1,0,0]=3 1133 B6R0.4 CCCCC(=O)C H141140 [1,1,0,0,0,0|1,0,0]=3 1134 B6R0.4 CCCCC(=O)Cl V107241 [1,1,0,0,0,0|2,0,0]=4 1135 B6R0.4 CCCCC(=O)N V162967 [1,1,0,0,0,0|2,0,0]=4 1136 B6R0.4 CCCCC(=O)O V108269 [1,1,0,0,0,0|2,0,0]=4 1137 B6R0.4 CCCCC(=O)O V108270 [1,1,0,0,0,0|2,0,0]=4 1138 B6R0.4 CCCCC(=O)O V108271 [1,1,0,0,0,0|2,0,0]=4 1139 B6R0.4 CCCCC(=O)O V108272 [1,1,0,0,0,0|2,0,0]=4 1140 B6R0.4 CCCCC(=O)O V302252 [1,1,0,0,0,0|2,0,0]=4 1141 B6R0.4 CCCCC(=O)[O-] S194180 [1,1,0,0,0,0|2,0,0]=4 1142 B6R0.4 CCCNC(=O)N P589707 [1,1,0,0,0,0|2,0,0]=4 1143 B6R0.4 CCCOC(=O)C P103882 [1,1,0,0,0,0|1,0,0]=3 1144 B6R0.4 CCCOC(=O)C P103883 [1,1,0,0,0,0|1,0,0]=3 1145 B6R0.4 CCCOC(=O)N P194271 [1,1,0,0,0,0|2,0,0]=4 1146 B6R0.4 CCCSC(=O)C S161333 [1,1,0,0,0,0|1,0,0]=3 1147 B6R0.4 CCNCC(=O)O N159193 [1,1,0,0,0,0|2,0,0]=4 1148 B6R0.4 CCOCC(=O)Cl E293992 [1,1,0,0,0,0|1,1,0]=4 1149 B6R0.4 CCOCC(=O)O E156174 [1,1,0,0,0,0|1,1,0]=4 1150 B6R0.4 CCSCC(=O)O E300419 [1,1,0,0,0,0|1,0,0]=3 1151 B6R0.4 CNCCC(=O)O M183299 [1,1,0,0,0,0|2,0,0]=4 1152 B6R0.4 COCCC(=O)O M169065 [1,1,0,0,0,0|1,1,0]=4 1153 B6R0.4 CSCCC(=O)Cl M158416 [1,1,0,0,0,0|1,0,0]=3 1154 B6R0.4 CSCCC(=O)O M158072 [1,1,0,0,0,0|1,0,0]=3 1155 B6R0.5 CC(C)(CSC)N M588894 [1,1,0,0,0,0|1,0,1]=4 1156 B6R0.6 CC=CCCCO H300983 [1,1,0,0,0,0|1,0,1]=4 1157 B6R0.6 CCC=CCCO C426965 [1,1,0,0,0,0|1,0,1]=4 1158 B6R0.6 CCC=CCCO H112690 [1,1,0,0,0,0|1,0,1]=4 1159 B6R0.6 CCC=CCCO L106205 [1,1,0,0,0,0|1,0,1]=4 1160 B6R0.6 CCCC=CCO C153482 [1,1,0,0,0,0|1,0,1]=4 1161 B6R0.6 CCCC=CCO H102077 [1,1,0,0,0,0|1,0,1]=4 1162 B6R0.6 CCCCCCBr B105244 [1,1,0,0,0,0|1,0,1]=4 1163 B6R0.6 CCCCCCBr B471923 [1,1,0,0,0,0|1,0,1]=4 1164 B6R0.6 CCCCCCC H108102 [1,1,0,0,0,0|1,0,1]=4 1165 B6R0.6 CCCCCCC H108103 [1,1,0,0,0,0|1,0,1]=4 1166 B6R0.6 CCCCCCC H108105 [1,1,0,0,0,0|1,0,1]=4 1167 B6R0.6 CCCCCCC H108108 [1,1,0,0,0,0|1,0,1]=4 1168 B6R0.6 CCCCCCC H108111 [1,1,0,0,0,0|1,0,1]=4 1169 B6R0.6 CCCCCCC H108112 [1,1,0,0,0,0|1,0,1]=4 1170 B6R0.6 CCCCCCC H118382 [1,1,0,0,0,0|1,0,1]=4 1171 B6R0.6 CCCCCCC H119701 [1,1,0,0,0,0|1,0,1]=4 1172 B6R0.6 CCCCCCCl C109280 [1,1,0,0,0,0|1,0,1]=4 1173 B6R0.6 CCCCCCCl C109281 [1,1,0,0,0,0|1,0,1]=4 1174 B6R0.6 CCCCCCI I157578 [1,1,0,0,0,0|1,0,1]=4 1175 B6R0.6 CCCCCCN H105333 [1,1,0,0,0,0|1,0,1]=4 1176 B6R0.6 CCCCCCN H157035 [1,1,0,0,0,0|1,0,1]=4 1177 B6R0.6 CCCCCCN H292813 [1,1,0,0,0,0|1,0,1]=4 1178 B6R0.6 CCCCCCN H491868 [1,1,0,0,0,0|1,0,1]=4 1179 B6R0.6 CCCCCCO H103420 [1,1,0,0,0,0|1,0,1]=4 1180 B6R0.6 CCCCCCO H103421 [1,1,0,0,0,0|1,0,1]=4 1181 B6R0.6 CCCCCCO H103422 [1,1,0,0,0,0|1,0,1]=4 1182 B6R0.6 CCCCCCO H103423 [1,1,0,0,0,0|1,0,1]=4 1183 B6R0.6 CCCCCCO H119678 [1,1,0,0,0,0|1,0,1]=4 1184 B6R0.6 CCCCCCS H100786 [1,1,0,0,0,0|1,0,1]=4 1185 B6R0.6 CCCCCCS H299109 [1,1,0,0,0,0|1,0,1]=4 1186 B6R0.6 CCCCCC[NH3+] H292817 [1,1,0,0,0,0|1,0,1]=4 1187 B6R0.6 CCCCCC[NH3+] H492547 [1,1,0,0,0,0|1,0,1]=4 1188 B6R0.6 CCCCCC[Si] H357381 [1,1,0,0,0,0|1,0,1]=4 1189 B6R0.6 CCCCCNC M124210 [1,1,0,0,0,0|1,0,1]=4 1190 B6R0.6 CCCCCSC A151354 [1,1,0,0,0,0|0,0,1]=3 1191 B6R0.6 CCCCNCC N158928 [1,1,0,0,0,0|1,0,1]=4 1192 B6R0.6 CCCCSCC B152507 [1,1,0,0,0,0|0,0,1]=3 1193 B6R0.6 CCCNCCC D100329 [1,1,0,0,0,0|1,0,1]=4 1194 B6R0.6 CCCNCCC D100330 [1,1,0,0,0,0|1,0,1]=4 1195 B6R0.6 CCCNCCC D154684 [1,1,0,0,0,0|1,0,1]=4 1196 B6R0.6 CCCNCCC D404364 [1,1,0,0,0,0|1,0,1]=4 1197 B6R0.6 CCCNCCN N336391 [1,1,0,0,0,0|2,0,0]=4 1198 B6R0.6 CCCOCCC P160596 [1,1,0,0,0,0|1,0,1]=4 1199 B6R0.6 CCCOCCCl C137234 [1,1,0,0,0,0|2,0,0]=4 1200 B6R0.6 CCCOCCN P160362 [1,1,0,0,0,0|2,0,0]=4 1201 B6R0.6 CCCOCCO P107659 [1,1,0,0,0,0|2,0,0]=4 1202 B6R0.6 CCCOCCO P299319 [1,1,0,0,0,0|2,0,0]=4 1203 B6R0.6 CCCSCCC D102909 [1,1,0,0,0,0|1,0,1]=4 1204 B6R0.6 CCNCCCO E300231 [1,1,0,0,0,0|2,0,0]=4 1205 B6R0.6 CCOCCCN E156297 [1,1,0,0,0,0|2,0,0]=4 1206 B6R0.6 CCOCCCO E108059 [1,1,0,0,0,0|2,0,0]=4 1207 B6R0.6 CCOCCOC E331012 [1,1,0,0,0,0|0,1,1]=4 1208 B6R0.6 CCOCOCC D109106 [1,1,0,0,0,0|1,1,0]=4 1209 B6R0.6 CCOCOCC D139939 [1,1,0,0,0,0|1,1,0]=4 1210 B6R0.6 CCSCCCO E300079 [1,1,0,0,0,0|1,0,1]=4 1211 B6R0.6 CCSSSCC D405733 [1,1,0,0,0,0|2,0,0]=4 1212 B6R0.6 CNCCCCO M193351 [1,1,0,0,0,0|1,0,1]=4 1213 B6R0.6 CNCCCNC D124206 [1,1,0,0,0,0|1,0,1]=4 1214 B6R0.6 COCCCCBr B152834 [1,1,0,0,0,0|0,1,1]=4 1215 B6R0.6 COCCCCO B152046 [1,1,0,0,0,0|0,1,1]=4 1216 B6R0.6 COCOCCBr B165961 [1,1,0,0,0,0|1,1,0]=4 1217 B6R0.6 CSCCCCO M468928 [1,1,0,0,0,0|0,0,1]=3 1218 B6R0.8 CCC(C)(CC)Cl C334524 [1,1,0,0,0,0|1,0,1]=4 1219 B6R0.8 CCC(C)(CC)O M102200 [1,1,0,0,0,0|0,0,2]=4 1220 B6R0.8 CCP(=O)(CC)O D590241 [1,1,0,0,0,0|1,0,0]=3 1221 B6R0.8 CCP(=O)(CC)[O-] A303123 [1,1,0,0,0,0|1,0,0]=3 1222 B6R0.8 CCS(=O)(=O)CC D304098 [1,1,0,0,0,0|1,0,0]=3 1223 B6R0.8 CC[N+](C)(C)CC D140684 [1,1,0,0,0,0|2,0,0]=4 1224 B6R0.8 CC[Si](CC)(Cl)Cl D154925 [1,1,0,0,0,0|1,1,0]=4 1225 B6R0.9 B(CC)(CC)CC T106572 [1,1,0,0,0,0|2,0,0]=4 1226 B6R0.9 CCC(=CC)CC E156180 [1,1,0,0,0,0|1,0,0]=3 1227 B6R0.9 CCC(CC)C=O E156502 [1,1,0,0,0,0|0,0,1]=3 1228 B6R0.9 CCC(CC)CBr B152449 [1,1,0,0,0,0|1,0,1]=4 1229 B6R0.9 CCC(CC)CC E156241 [1,1,0,0,0,0|1,0,1]=4 1230 B6R0.9 CCC(CC)CCl C467301 [1,1,0,0,0,0|1,0,1]=4 1231 B6R0.9 CCC(CC)CO E109374 [1,1,0,0,0,0|0,0,2]=4 1232 B6R0.9 CCN(CC)C#N D154665 [1,1,0,0,0,0|2,0,0]=4 1233 B6R0.9 CCN(CC)C=O D102964 [1,1,0,0,0,0|1,0,0]=3 1234 B6R0.9 CCN(CC)CC F302957 [1,1,0,0,0,0|2,0,0]=4 1235 B6R0.9 CCN(CC)CC S161206 [1,1,0,0,0,0|2,0,0]=4 1236 B6R0.9 CCN(CC)CC T103284 [1,1,0,0,0,0|2,0,0]=4 1237 B6R0.9 CCN(CC)CC T103285 [1,1,0,0,0,0|2,0,0]=4 1238 B6R0.9 CCN(CC)CC T103287 [1,1,0,0,0,0|2,0,0]=4 1239 B6R0.9 CCN(CC)CC T103288 [1,1,0,0,0,0|2,0,0]=4 1240 B6R0.9 CCN(CC)CC T103289 [1,1,0,0,0,0|2,0,0]=4 1241 B6R0.9 CCN(CC)CC T103290 [1,1,0,0,0,0|2,0,0]=4 1242 B6R0.9 CCN(CC)CC T107263 [1,1,0,0,0,0|2,0,0]=4 1243 B6R0.9 CCN(CC)CC T108431 [1,1,0,0,0,0|2,0,0]=4 1244 B6R0.9 CCN(CC)CC T108432 [1,1,0,0,0,0|2,0,0]=4 1245 B6R0.9 CCN(CC)CC T140677 [1,1,0,0,0,0|2,0,0]=4 1246 B6R0.9 CCN(CC)CC T162216 [1,1,0,0,0,0|2,0,0]=4 1247 B6R0.9 CCN(CC)CC T189177 [1,1,0,0,0,0|2,0,0]=4 1248 B6R0.9 CCN(CC)CC T331003 [1,1,0,0,0,0|2,0,0]=4 1249 B6R0.9 CCN(CC)CC T345138 [1,1,0,0,0,0|2,0,0]=4 1250 B6R0.9 CCN(CC)CC T345383 [1,1,0,0,0,0|2,0,0]=4 1251 B6R0.9 CCN(CC)CC T431604 [1,1,0,0,0,0|2,0,0]=4 1252 B6R0.9 CCN(CC)CC T466164 [1,1,0,0,0,0|2,0,0]=4 1253 B6R0.9 CCN(CC)N=O N109570 [1,1,0,0,0,0|1,0,0]=3 1254 B6R0.9 CCN(CC)N=O N109571 [1,1,0,0,0,0|1,0,0]=3 1255 B6R0.9 CCN(CC)N=O N358096 [1,1,0,0,0,0|1,0,0]=3 1256 B6R0.9 CCN(CC)N=O N424700 [1,1,0,0,0,0|1,0,0]=3 1257 B6R0.9 CCP(CC)CC B300038 [1,1,0,0,0,0|2,0,0]=4 1258 B6R0.9 CCP(CC)CC C138296 [1,1,0,0,0,0|2,0,0]=4 1259 B6R0.9 CCP(CC)CC D129150 [1,1,0,0,0,0|2,0,0]=4 1260 B6R0.9 CCP(CC)CC T120625 [1,1,0,0,0,0|2,0,0]=4 1261 B6R0.9 CC[Al](CC)C#N D466157 [1,1,0,0,0,0|2,0,0]=4 1262 B6R0.9 CC[Al](CC)CC T434622 [1,1,0,0,0,0|2,0,0]=4 1263 B6R0.9 CC[O+](CC)CC T109785 [1,1,0,0,0,0|2,0,0]=4 1264 B6R0.9 CC[O+](CC)CC T168010 [1,1,0,0,0,0|2,0,0]=4 1265 B6R0.9 CC[Si](CC)CC T106570 [1,1,0,0,0,0|1,1,0]=4 1266 B8R0.2 CC(=O)C(C(=O)OC)Cl M135839 [0,2,0,0,0,0|2,0,0]=4 1267 B8R0.2 CC(C(C(=O)OC)N)O T117005 [0,2,0,0,0,0|2,0,0]=4 1268 B8R0.2 CC(C)C(=O)N(C)OC N172116 [0,2,0,0,0,0|1,1,0]=4 1269 B8R0.2 CC(C)C(C(=O)OC)N D133919 [0,2,0,0,0,0|2,0,0]=4 1270 B8R0.2 CC(C)C(C(=O)OC)N V105985 [0,2,0,0,0,0|2,0,0]=4 1271 B8R0.2 CC(C)C(C(=O)OC)N V117182 [0,2,0,0,0,0|2,0,0]=4 1272 B8R0.5 CC(C)OC(=O)CC#N I111831 [0,2,0,0,0,0|2,0,0]=4 1273 B8R0.5 CC(C)OC(=O)CCS M119588 [0,2,0,0,0,0|2,0,0]=4 1274 B8R0.5 CCCC(=O)CC(C)C M158863 [0,2,0,0,0,0|1,0,0]=3 1275 B8R0.5 CCCC(=O)OC(C)C I157502 [0,2,0,0,0,0|1,0,0]=3 1276 B8R0.5 CCOC(=O)C=C(C)C E156154 [0,2,0,0,0,0|1,0,1]=4 1277 B8R0.5 CCOC(=O)C=C(C)N E101139 [0,2,0,0,0,0|1,0,1]=4 1278 B8R0.5 CCOC(=O)C=C(C)N E136853 [0,2,0,0,0,0|1,0,1]=4 1279 B8R0.5 CCOC(=O)CC(=N)N A185319 [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.5 CCOC(=O)CC(=O)C E103937 [0,2,0,0,0,0|1,0,0]=3 1281 B8R0.5 CCOC(=O)CC(=O)C E103939 [0,2,0,0,0,0|1,0,0]=3 1282 B8R0.5 CCOC(=O)CC(=O)C E474098 [0,2,0,0,0,0|1,0,0]=3 1283 B8R0.5 CCOC(=O)CC(=O)Cl E122639 [0,2,0,0,0,0|2,0,0]=4 1284 B8R0.5 CCOC(=O)CC(=O)N E194938 [0,2,0,0,0,0|2,0,0]=4 1285 B8R0.5 CCOC(=O)CC(=O)O M158864 [0,2,0,0,0,0|2,0,0]=4 1286 B8R0.5 CCOC(=O)CC(=O)[O-] M158631 [0,2,0,0,0,0|2,0,0]=4 1287 B8R0.5 CCOC(=O)CC(=S)N E190709 [0,2,0,0,0,0|2,0,0]=4 1288 B8R0.5 CCOC(=O)CC(C)C E108583 [0,2,0,0,0,0|1,0,0]=3 1289 B8R0.5 CCOC(=O)CC(C)C E108585 [0,2,0,0,0,0|1,0,0]=3 1290 B8R0.5 CCOC(=O)CC(C)N E170814 [0,2,0,0,0,0|1,0,0]=3 1291 B8R0.5 CCOC(=O)CC(C)O E101452 [0,2,0,0,0,0|1,0,0]=3 1292 B8R0.5 CCOC(=O)CC(C)O E118391 [0,2,0,0,0,0|1,0,0]=3 1293 B8R0.5 CCOC(=O)CC(C)O E156467 [0,2,0,0,0,0|1,0,0]=3 1294 B8R0.5 CCOC(=O)CN(C)C E136550 [0,2,0,0,0,0|1,0,0]=3 1295 B8R0.5 CCOC(=O)C[N+](=O)[O-] E110257 [0,2,0,0,0,0|2,0,0]=4 1296 B8R0.5 CCOC(=O)C[S+](C)C E170751 [0,2,0,0,0,0|0,0,1]=3 1297 B8R0.5 CCOC(=O)OC(C)Cl C102108 [0,2,0,0,0,0|2,0,0]=4 1298 B8R0.19 CCC(=O)CC(=O)CC H102410 [0,2,0,0,0,0|1,0,0]=3 1299 B8R0.19 CCC(=O)CC(=O)OC M109572 [0,2,0,0,0,0|0,1,0]=3 1300 B8R0.19 CCC(=O)OC(=O)CC P106800 [0,2,0,0,0,0|1,0,1]=4 1301 B8R0.19 CCC(=O)OC(=O)CC P137907 [0,2,0,0,0,0|1,0,1]=4 1302 B8R0.19 CCC(C)CC(=O)CC M158857 [0,2,0,0,0,0|1,0,0]=3 1303 B8R0.19 CCC(CC(=O)OC)O M465384 [0,2,0,0,0,0|2,0,0]=4 1304 B8R0.19 COC(=O)CC(=O)CCl M158829 [0,2,0,0,0,0|1,1,0]=4 1305 B8R0.19 COC(=O)CC(=O)OC D103051 [0,2,0,0,0,0|1,1,0]=4 1306 B8R0.23 CC(=O)CC(=O)N(C)C N159276 [0,2,0,0,0,0|2,0,0]=4 1307 B8R0.23 CC(C)C(=O)OC(C)C I157500 [0,2,0,0,0,0|2,0,0]=4 1308 B8R0.23 CC(C)CC(=O)C(C)C D154365 [0,2,0,0,0,0|1,0,0]=3 1309 B8R0.23 CC(C)OC(=O)C(C)N A113261 [0,2,0,0,0,0|2,0,0]=4 1310 B8R0.23 CC(C)OC(=O)C(C)N D303645 [0,2,0,0,0,0|2,0,0]=4 1311 B8R0.24 CCC(=O)OC(C)(C)C T162406 [0,2,0,0,0,0|2,0,0]=4 1312 B8R0.24 CCC(=O)O[Si](C)(C)C T161571 [0,2,0,0,0,0|2,0,0]=4 1313 B8R0.24 COC(=O)CS(=O)(=O)C M123593 [0,2,0,0,0,0|1,0,1]=4 1314 B8R0.24 COC(=O)C[Si](C)(C)C M342470 [0,2,0,0,0,0|2,0,0]=4 1315 B8R0.1 CCC#CC(=O)OCC E189158 [0,2,0,0,0,0|1,0,1]=4 1316 B8R0.1 CCCC(=O)OCCC P100043 [0,2,0,0,0,0|1,0,0]=3 1317 B8R0.1 CCCC(=O)OCCC P100044 [0,2,0,0,0,0|1,0,0]=3 1318 B8R0.1 CCCCC(=O)C=CC O160046 [0,2,0,0,0,0|1,0,1]=4 1319 B8R0.1 CCCCC(=O)CCC O160045 [0,2,0,0,0,0|1,0,0]=3 1320 B8R0.1 CCCCC(=O)OCC E105293 [0,2,0,0,0,0|1,0,0]=3 1321 B8R0.1 CCCCC(=O)OCC E105294 [0,2,0,0,0,0|1,0,0]=3 1322 B8R0.1 CCCCC(=O)OCC E118465 [0,2,0,0,0,0|1,0,0]=3 1323 B8R0.1 CCCOC(=O)CC#N P160480 [0,2,0,0,0,0|1,0,1]=4 1324 B8R0.1 CCOC(=O)C=CCBr E113754 [0,2,0,0,0,0|1,0,1]=4 1325 B8R0.1 CCOC(=O)C=CCBr E589630 [0,2,0,0,0,0|1,0,1]=4 1326 B8R0.1 CCOC(=O)CCC=C E156151 [0,2,0,0,0,0|1,0,1]=4 1327 B8R0.1 CCOC(=O)CCCBr E106908 [0,2,0,0,0,0|1,0,0]=3 1328 B8R0.1 CCOC(=O)CCCBr E639064 [0,2,0,0,0,0|1,0,0]=3 1329 B8R0.1 CCOC(=O)CCCCl E135072 [0,2,0,0,0,0|1,0,0]=3 1330 B8R0.1 CCOC(=O)CCCCl E493598 [0,2,0,0,0,0|1,0,0]=3 1331 B8R0.1 CCOC(=O)CCCN E122453 [0,2,0,0,0,0|1,0,0]=3 1332 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [0,2,0,0,0,0|1,0,0]=3 1333 B8R0.1 CCOC(=O)CCSC E107629 [0,2,0,0,0,0|0,0,0]=2 1334 B8R0.1 CCOC(=O)CN=C=O E156271 [0,2,0,0,0,0|1,0,1]=4 1335 B8R0.1 CCOC(=O)CN=C=S E101903 [0,2,0,0,0,0|1,0,1]=4 1336 B8R0.1 CCOC(=O)CN=[N+]=[N-] E189179 [0,2,0,0,0,0|2,0,0]=4 1337 B8R0.1 CCOC(=O)CNC=O N159320 [0,2,0,0,0,0|1,0,1]=4 1338 B8R0.1 CCOC(=O)OCC=C A151039 [0,2,0,0,0,0|1,0,1]=4 1339 B8R0.1 CCOCC(=O)OCC E195171 [0,2,0,0,0,0|0,1,0]=3 1340 B8R0.3 CC(COC)C(=O)OC M157985 [0,2,0,0,0,0|1,1,0]=4 1341 B8R0.3 CCC(C(=O)OCC)Br E110204 [0,2,0,0,0,0|1,0,0]=3 1342 B8R0.3 CCC(C(=O)OCC)N E185185 [0,2,0,0,0,0|1,0,0]=3 1343 B8R0.3 CCC(C(=O)OCC)O E156260 [0,2,0,0,0,0|1,0,0]=3 1344 B8R0.3 CCC(C)C(=O)C=CC W136042 [0,2,0,0,0,0|1,0,1]=4 1345 B8R0.3 CCC(C)C(=O)OCC E117676 [0,2,0,0,0,0|1,0,0]=3 1346 B8R0.3 CCCC(=O)C(C)CC M158867 [0,2,0,0,0,0|1,0,0]=3 1347 B8R0.3 CCCC(=O)N(C)OC N404707 [0,2,0,0,0,0|1,1,0]=4 1348 B8R0.3 CCCC(C)C(=O)OC B300583 [0,2,0,0,0,0|2,0,0]=4 1349 B8R0.3 CCOC(=O)C(=CC)C E117529 [0,2,0,0,0,0|1,0,1]=4 1350 B8R0.3 CCOC(=O)C(C)C#N E124214 [0,2,0,0,0,0|2,0,0]=4 1351 B8R0.3 CCOC(=O)C(C=O)Cl E183753 [0,2,0,0,0,0|2,0,0]=4 1352 B8R0.3 CCOC(=O)C(CBr)Br E102371 [0,2,0,0,0,0|2,0,0]=4 1353 B8R0.3 CCOC(=O)C(CCl)O E357552 [0,2,0,0,0,0|2,0,0]=4 1354 B8R0.3 CCOC(=O)C(CO)N D188981 [0,2,0,0,0,0|2,0,0]=4 1355 B8R0.3 CCOC(=O)C(CO)N S105478 [0,2,0,0,0,0|2,0,0]=4 1356 B8R0.3 CCOC(=O)C(CS)N C100827 [0,2,0,0,0,0|2,0,0]=4 1357 B8R0.3 COC(=O)C(CCBr)Br M588617 [0,2,0,0,0,0|2,0,0]=4 1358 B8R0.6 CCCC=CC(=O)OC M134288 [0,2,0,0,0,0|2,0,0]=4 1359 B8R0.6 CCCCCC(=O)CC O106928 [0,2,0,0,0,0|1,0,0]=3 1360 B8R0.6 CCCCCC(=O)CC O106929 [0,2,0,0,0,0|1,0,0]=3 1361 B8R0.6 CCCCCC(=O)OC M112312 [0,2,0,0,0,0|2,0,0]=4 1362 B8R0.6 CCCCCC(=O)OC M112313 [0,2,0,0,0,0|2,0,0]=4 1363 B8R0.6 CCCCCC(=O)OC M112314 [0,2,0,0,0,0|2,0,0]=4 1364 B8R0.6 CCCCNC(=O)CCl N193799 [0,2,0,0,0,0|2,0,0]=4 1365 B8R0.6 CCCCOC(=O)CC B152863 [0,2,0,0,0,0|1,0,0]=3 1366 B8R0.6 CCCCOC(=O)CCl B152888 [0,2,0,0,0,0|2,0,0]=4 1367 B8R0.6 CCCCOC(=O)CO B134012 [0,2,0,0,0,0|2,0,0]=4 1368 B8R0.6 CCCCOC(=O)CO B493056 [0,2,0,0,0,0|2,0,0]=4 1369 B8R0.6 CCCCOC(=O)CS B152740 [0,2,0,0,0,0|2,0,0]=4 1370 B8R0.6 COC(=O)CCCC=C M158008 [0,2,0,0,0,0|2,0,0]=4 1371 B8R0.6 COC(=O)CCCC=O M589623 [0,2,0,0,0,0|2,0,0]=4 1372 B8R0.6 COC(=O)CCCCBr M157983 [0,2,0,0,0,0|2,0,0]=4 1373 B8R0.6 COC(=O)CCCCCl M167259 [0,2,0,0,0,0|2,0,0]=4 1374 B8R0.6 COC(=O)COCCCl M195238 [0,2,0,0,0,0|1,1,0]=4 1375 B8R0.8 CC(C(=O)NCCO)O N158965 [0,2,0,0,0,0|2,0,0]=4 1376 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,2,0,0,0,0|1,0,1]=4 1377 B8R0.8 CCCCC(=O)C(C)C M158862 [0,2,0,0,0,0|1,0,0]=3 1378 B8R0.8 CCCOC(=O)C(=C)C N338922 [0,2,0,0,0,0|1,0,1]=4 1379 B8R0.8 CCCOC(=O)C(C)C P133971 [0,2,0,0,0,0|1,0,0]=3 1380 B8R0.8 CCCOC(=O)C(C)O P160122 [0,2,0,0,0,0|1,0,0]=3 1381 B8R0.8 CN(C)C(=O)CCOC M404748 [0,2,0,0,0,0|1,1,0]=4 1382 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,2,0,0,0,0|2,0,0]=4 1383 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,2,0,0,0,0|2,0,0]=4 1384 B8R0.9 CC(=O)NCC(=O)NC A342681 [0,2,0,0,0,0|2,0,0]=4 1385 B8R0.9 CC(=O)OCC(=O)CCl A135505 [0,2,0,0,0,0|1,1,0]=4 1386 B8R0.9 CC(C)CCC(=O)OC M464241 [0,2,0,0,0,0|2,0,0]=4 1387 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,2,0,0,0,0|1,0,1]=4 1388 B8R0.9 CCC(=O)OCC(C)C I157498 [0,2,0,0,0,0|1,0,0]=3 1389 B8R0.9 CN(C)CCC(=O)OC M170066 [0,2,0,0,0,0|2,0,0]=4 1390 B8R0.11 CCCC=C(CC)C=O E156033 [0,2,0,0,0,0|1,0,0]=3 1391 B8R0.11 CCCCC(CC)C=O E156034 [0,2,0,0,0,0|1,0,1]=4 1392 B8R0.14 CC(C)(C)C(=O)CC#N P160107 [0,2,0,0,0,0|2,0,0]=4 1393 B8R0.14 CCCC(=O)C(C)(C)C D185098 [0,2,0,0,0,0|1,0,0]=3 1394 B8R0.14 CCOC(=O)C(C)(C)Br E104492 [0,2,0,0,0,0|2,0,0]=4 1395 B8R0.14 CCOC(=O)C(C)(C)C E137587 [0,2,0,0,0,0|2,0,0]=4 1396 B8R0.14 CCOC(=O)C(C)(C)I E156365 [0,2,0,0,0,0|2,0,0]=4 1397 B8R0.14 CCOC(=O)C(C)(C)N H182075 [0,2,0,0,0,0|2,0,0]=4 1398 B8R0.14 CCOC(=O)C(C)(C)O E111355 [0,2,0,0,0,0|2,0,0]=4 1399 B8R0.14 CCOC(=O)C(C)(F)F D419047 [0,2,0,0,0,0|2,0,0]=4 1400 B8R0.22 CCCN(CCC)C=O D124598 [0,2,0,0,0,0|2,0,0]=4 1401 B8R0.22 CCCN(CCC)N=O N114392 [0,2,0,0,0,0|2,0,0]=4 1402 B8R0.22 CCCN(CCC)N=O N118829 [0,2,0,0,0,0|2,0,0]=4 1403 B8R0.30 CCCS(=O)(=O)CCC D154782 [0,2,0,0,0,0|2,0,0]=4 1404 B8R0.20 CCC(=O)N(CC)CC N159275 [0,2,0,0,0,0|2,0,0]=4 1405 B8R0.20 COC(C(=O)OC)OC M102644 [0,2,0,0,0,0|1,1,0]=4 1406 B8R0.20 COC(C(=O)OC)OC M141487 [0,2,0,0,0,0|1,1,0]=4 1407 B6R1.2 C1CC(=O)C=C1 C139450 [1,0,0,1,0,0|1,0,1]=4 1408 B6R1.2 C1CC(=O)NC1 P112692 [1,0,0,1,0,0|2,0,0]=4 1409 B6R1.2 C1CC(=O)NC1 P468968 [1,0,0,1,0,0|2,0,0]=4 1410 B6R1.2 C1CC(=O)SC1 T472178 [1,0,0,1,0,0|2,0,0]=4 1411 B6R1.2 C1CCC(=O)C1 C108566 [1,0,0,1,0,0|1,0,0]=3 1412 B6R1.2 C1CCC(=O)C1 C108567 [1,0,0,1,0,0|1,0,0]=3 1413 B6R1.2 C1CCC(=O)C1 C108568 [1,0,0,1,0,0|1,0,0]=3 1414 B6R1.2 C1CCC(=O)C1 C108569 [1,0,0,1,0,0|1,0,0]=3 1415 B6R1.2 C1CCS(=O)C1 T162808 [1,0,0,1,0,0|2,0,0]=4 1416 B6R1.2 C1CNCC1=O P176320 [1,0,0,1,0,0|1,0,0]=3 1417 B6R1.2 C1COCC1=O T161567 [1,0,0,1,0,0|0,1,0]=3 1418 B6R1.2 C1CSCC1=O D106839 [1,0,0,1,0,0|0,0,0]=2 1419 B6R1.2 C=C1CCCC1 M158228 [1,0,0,1,0,0|2,0,0]=4 1420 B6R1.2 CC1=CCCC1 M158230 [1,0,0,1,0,0|2,0,0]=4 1421 B6R1.2 CC1=NCCC1 M187405 [1,0,0,1,0,0|2,0,0]=4 1422 B6R1.5 CC1CC(=O)O1 B152852 [1,0,0,1,0,0|2,0,0]=4 1423 B6R1.11 C1CC1C(=O)Cl C133840 [1,0,0,1,0,0|2,0,0]=4 1424 B6R1.11 C1CC1C(=O)N C134392 [1,0,0,1,0,0|2,0,0]=4 1425 B6R1.11 C1CC1C(=O)O C106979 [1,0,0,1,0,0|2,0,0]=4 1426 B6R1.11 CC(=O)C1CC1 C108050 [1,0,0,1,0,0|1,0,0]=3 1427 B6R1.1 C1CC=COC1 D106433 [1,0,0,1,0,0|0,1,1]=4 1428 B6R1.1 C1CCC=CC1 C112737 [1,0,0,1,0,0|1,0,1]=4 1429 B6R1.1 C1CCC=CC1 C112738 [1,0,0,1,0,0|1,0,1]=4 1430 B6R1.1 C1CCC=CC1 C118621 [1,0,0,1,0,0|1,0,1]=4 1431 B6R1.1 C1CCCCC1 C100583 [1,0,0,1,0,0|1,0,1]=4 1432 B6R1.1 C1CCCCC1 C100584 [1,0,0,1,0,0|1,0,1]=4 1433 B6R1.1 C1CCCCC1 C100585 [1,0,0,1,0,0|1,0,1]=4 1434 B6R1.1 C1CCCCC1 C100586 [1,0,0,1,0,0|1,0,1]=4 1435 B6R1.1 C1CCCCC1 C100587 [1,0,0,1,0,0|1,0,1]=4 1436 B6R1.1 C1CCCCC1 C119462 [1,0,0,1,0,0|1,0,1]=4 1437 B6R1.1 C1CCCCC1 C305176 [1,0,0,1,0,0|1,0,1]=4 1438 B6R1.1 C1CCCCC1 C431457 [1,0,0,1,0,0|1,0,1]=4 1439 B6R1.1 C1CCNCC1 P194173 [1,0,0,1,0,0|1,0,1]=4 1440 B6R1.1 C1CCNCC1 P492785 [1,0,0,1,0,0|1,0,1]=4 1441 B6R1.1 C1CCOCC1 T100998 [1,0,0,1,0,0|0,1,1]=4 1442 B6R1.1 C1CCOCC1 T298966 [1,0,0,1,0,0|0,1,1]=4 1443 B6R1.1 C1CC[NH2+]CC1 P193473 [1,0,0,1,0,0|1,0,1]=4 1444 B6R1.1 C1CNCC=C1 T168116 [1,0,0,1,0,0|1,0,1]=4 1445 B6R1.1 C1COCOC1 D155920 [1,0,0,1,0,0|1,1,0]=4 1446 B6R1.1 C1CSCCN1 T111124 [1,0,0,1,0,0|1,0,1]=4 1447 B6R1.1 C1CSCCO1 T161635 [1,0,0,1,0,0|1,0,1]=4 1448 B6R1.1 C1CSCCS1 D140294 [1,0,0,1,0,0|1,0,1]=4 1449 B6R1.1 C1CSCSC1 D124194 [1,0,0,1,0,0|1,0,0]=3 1450 B6R1.1 C1SCSCS1 T162310 [1,0,0,1,0,0|2,0,0]=4 1451 B8R1.1 C1CC(=O)NC1CBr B102457 [0,1,0,1,0,0|2,0,0]=4 1452 B8R1.1 C1CC(=O)NC1CBr B102458 [0,1,0,1,0,0|2,0,0]=4 1453 B8R1.1 C1CC(=O)NC1CO H103185 [0,1,0,1,0,0|2,0,0]=4 1454 B8R1.1 C1CC(=O)NC1CO H103186 [0,1,0,1,0,0|2,0,0]=4 1455 B8R1.1 CCC1CCC(=O)O1 C111339 [0,1,0,1,0,0|1,0,0]=3 1456 B8R1.1 COC1=CC(=O)CC1 M170478 [0,1,0,1,0,0|0,1,1]=4 1457 B8R1.4 C1C(=O)CSCC1=O H194597 [0,1,0,1,0,0|0,0,1]=3 1458 B8R1.4 C1C(=O)OC(=O)CS1 T136548 [0,1,0,1,0,0|1,0,1]=4 1459 B8R1.4 C1CC(=CC(=O)C1)N A136183 [0,1,0,1,0,0|1,0,1]=4 1460 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [0,1,0,1,0,0|1,0,0]=3 1461 B8R1.4 C1CC(=O)NC(=O)C1 G156850 [0,1,0,1,0,0|2,0,0]=4 1462 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [0,1,0,1,0,0|2,0,0]=4 1463 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [0,1,0,1,0,0|2,0,0]=4 1464 B8R1.4 C1CNC(=O)CC1=O P129071 [0,1,0,1,0,0|2,0,0]=4 1465 B8R1.4 C1CNC(=O)CC1N A174477 [0,1,0,1,0,0|2,0,0]=4 1466 B8R1.4 C1CNC(=O)CC1O H193522 [0,1,0,1,0,0|2,0,0]=4 1467 B8R1.4 CC1=CC(=O)CCC1 M104499 [0,1,0,1,0,0|1,0,1]=4 1468 B8R1.4 CC1CC(=O)CCO1 M172463 [0,1,0,1,0,0|1,0,0]=3 1469 B8R1.4 CC1CCCC(=O)C1 M117710 [0,1,0,1,0,0|1,0,0]=3 1470 B8R1.4 CC1CCCC(=O)C1 R472235 [0,1,0,1,0,0|1,0,0]=3 1471 B8R1.4 CC1CCCC(=O)O1 D155361 [0,1,0,1,0,0|1,0,0]=3 1472 B8R1.4 CC1COCC(=O)N1 S586561 [0,1,0,1,0,0|0,1,0]=3 1473 B8R1.18 CC1=NN(C(=O)C1)C D105385 [0,1,0,1,0,0|2,0,0]=4 1474 B8R1.18 CC1C(=O)C=C(O1)C D102990 [0,1,0,1,0,0|1,0,1]=4 1475 B8R1.18 CC1CC(=O)OC1=O M102626 [0,1,0,1,0,0|2,0,0]=4 1476 B8R1.40 C1CC1NC(=O)CCl C587871 [0,1,0,1,0,0|2,0,0]=4 1477 B8R1.51 C1CS(=O)(=O)CC1=O T182043 [0,1,0,1,0,0|1,0,1]=4 1478 B8R1.51 CC1(CC(=O)NC1)C D194493 [0,1,0,1,0,0|2,0,0]=4 1479 B8R1.51 CC1(CCC(=O)C1)C D175598 [0,1,0,1,0,0|1,0,0]=3 1480 B8R1.51 CC1(CCC(=O)N1)C D193696 [0,1,0,1,0,0|2,0,0]=4 1481 B8R1.51 CC1CCS(=O)(=O)C1 M158451 [0,1,0,1,0,0|2,0,0]=4 1482 B8R1.2 C1CCC(=CC1)C=O C468613 [0,1,0,1,0,0|1,0,1]=4 1483 B8R1.2 C1CCC(=NO)CC1 C109682 [0,1,0,1,0,0|1,0,1]=4 1484 B8R1.2 C1CCC(CC1)C=O C109681 [0,1,0,1,0,0|1,0,1]=4 1485 B8R1.2 C1CCN(CC1)C=O F106773 [0,1,0,1,0,0|2,0,0]=4 1486 B8R1.3 C1CC(=O)CCC1=O C110959 [0,1,0,1,0,0|1,0,1]=4 1487 B8R1.3 C1CC(=O)CCC1N A194532 [0,1,0,1,0,0|1,0,0]=3 1488 B8R1.3 C1CC(=O)CCC1O H190648 [0,1,0,1,0,0|1,0,0]=3 1489 B8R1.3 C1CC(=O)NCC1O H191838 [0,1,0,1,0,0|2,0,0]=4 1490 B8R1.3 CC1=NNC(=O)CC1 D135167 [0,1,0,1,0,0|2,0,0]=4 1491 B8R1.3 CC1CCC(=O)CC1 M106719 [0,1,0,1,0,0|1,0,0]=3 1492 B8R1.3 CC1CCC(=O)CC1 M113653 [0,1,0,1,0,0|1,0,0]=3 1493 B8R1.3 CN1CCC(=O)CC1 N138232 [0,1,0,1,0,0|1,0,0]=3 1494 B8R1.5 C1CC(C(=O)NC1)Br B588801 [0,1,0,1,0,0|2,0,0]=4 1495 B8R1.5 C1CC(C(=O)NC1)N A121540 [0,1,0,1,0,0|2,0,0]=4 1496 B8R1.5 C1CC(C(=O)NC1)N A121541 [0,1,0,1,0,0|2,0,0]=4 1497 B8R1.5 C1CC(C(=O)NC1)N A181382 [0,1,0,1,0,0|2,0,0]=4 1498 B8R1.5 C1CC(C(=O)NC1)N I170302 [0,1,0,1,0,0|2,0,0]=4 1499 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,1,0,1,0,0|2,0,0]=4 1500 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,1,0,1,0,0|1,0,1]=4 1501 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,1,0,1,0,0|1,0,0]=3 1502 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,1,0,1,0,0|1,0,0]=3 1503 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,1,0,1,0,0|1,0,0]=3 1504 B8R1.5 C1COCC(C1=O)F F176973 [0,1,0,1,0,0|1,1,0]=4 1505 B8R1.5 CC1C(=O)NCCN1 M168916 [0,1,0,1,0,0|2,0,0]=4 1506 B8R1.5 CC1C(=O)NCCN1 R195856 [0,1,0,1,0,0|2,0,0]=4 1507 B8R1.5 CC1CCCCC1=O M100791 [0,1,0,1,0,0|1,0,0]=3 1508 B8R1.5 CC1CNCCC1=O M589544 [0,1,0,1,0,0|1,0,0]=3 1509 B8R1.5 CN1CCCCC1=O N335945 [0,1,0,1,0,0|2,0,0]=4 1510 B8R1.5 CN1CCCNC1=O M493197 [0,1,0,1,0,0|2,0,0]=4 1511 B8R1.22 C1CC(=O)CCNC1 H121983 [0,1,0,1,0,0|1,0,0]=3 1512 B8R1.22 C1CCC(=O)C=CC1 C138031 [0,1,0,1,0,0|1,0,1]=4 1513 B8R1.22 C1CCC(=O)NCC1 C111698 [0,1,0,1,0,0|1,0,0]=3 1514 B8R1.22 C1CCC(=O)NCC1 C111700 [0,1,0,1,0,0|1,0,0]=3 1515 B8R1.22 C1CCC(=O)OCC1 C109521 [0,1,0,1,0,0|1,0,0]=3 1516 B8R1.22 C1CCC(=O)OCC1 C398060 [0,1,0,1,0,0|1,0,0]=3 1517 B8R1.22 C1CCC(=O)OCC1 P299385 [0,1,0,1,0,0|1,0,0]=3 1518 B8R1.22 C1CCC(=O)OCC1 P398622 [0,1,0,1,0,0|1,0,0]=3 1519 B8R1.22 C1CCC(=O)OCC1 P478241 [0,1,0,1,0,0|1,0,0]=3 1520 B8R1.22 C1CCC(=O)OCC1 P485972 [0,1,0,1,0,0|1,0,0]=3 1521 B8R1.22 C1CCC(=O)OCC1 P579406 [0,1,0,1,0,0|1,0,0]=3 1522 B8R1.22 C1CCC(=S)NCC1 T140461 [0,1,0,1,0,0|1,1,0]=4 1523 B8R1.22 C1CCCC(=O)CC1 C111127 [0,1,0,1,0,0|1,0,0]=3 1524 B8R1.22 C1COCCNC1=O O189427 [0,1,0,1,0,0|1,1,0]=4 1525 B8R1.38 COC(=O)C1CNC1 A132584 [0,1,0,1,0,0|2,0,0]=4 1526 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [0,1,0,1,0,0|1,0,1]=4 1527 B8R1.50 CC1=C(C(=O)CC1)O H139285 [0,1,0,1,0,0|1,0,1]=4 1528 B8R1.50 CC1C(=O)CCC1=O M136868 [0,1,0,1,0,0|1,0,1]=4 1529 B8R1.50 CC1CCC(=O)C1=O M109224 [0,1,0,1,0,0|1,0,1]=4 1530 B8R1.50 CC1CCC(=O)N1C D467310 [0,1,0,1,0,0|2,0,0]=4 1531 B8R1.50 CN1C(CCC1=O)O H351403 [0,1,0,1,0,0|2,0,0]=4 1532 B8R1.19 CC1(CCCC1=O)C D131503 [0,1,0,1,0,0|1,0,0]=3 1533 B8R1.19 CC1(CCOC1=O)C A151224 [0,1,0,1,0,0|2,0,0]=4 1534 B8R1.19 CC1(CONC1=O)C D400297 [0,1,0,1,0,0|1,1,0]=4 1535 B8R1.37 C1CC1C(=O)CC#N C586516 [0,1,0,1,0,0|1,0,1]=4 1536 B8R1.37 CCOC(=O)C1CC1 E156138 [0,1,0,1,0,0|1,0,0]=3 1537 B8R1.37 CCOC(=O)C1CO1 E138878 [0,1,0,1,0,0|0,1,0]=3 1538 B8R1.8 CCCC1=NCCN1 P302987 [0,1,0,1,0,0|2,0,0]=4 1539 B8R1.8 CCCC1=NCCO1 P160311 [0,1,0,1,0,0|1,0,1]=4 1540 B8R1.11 C1C(C(=O)CS1)C#N C123550 [0,1,0,1,0,0|0,0,1]=3 1541 B8R1.11 C1CC(C(=O)C1)C#N C183485 [0,1,0,1,0,0|1,0,1]=4 1542 B8R1.11 CCN1CCCC1=O E101635 [0,1,0,1,0,0|1,0,0]=3 1543 B8R1.39 COC(=O)C1(CC1)N A135277 [0,1,0,1,0,0|2,0,0]=4