0 B5R0.1 C#CCC(=O)O B168856 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C(C#N)C(=O)N C101310 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C(C#N)C(=O)O C105698 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C(C#N)C(=O)[O-] S586305 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C(C(=O)O)ON C109697 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C(CBr)C(=O)Cl B135557 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C(CBr)C(=O)N B152335 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 C(CBr)C(=O)O B106081 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C(CCl)C(=O)Cl C109466 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C(CCl)C(=O)N C171099 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 C(CCl)C(=O)O C106515 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 C(CI)C(=O)O I157542 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C(CN)C(=O)N B135870 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C(CN)C(=O)O A105703 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 C(CN)C(=O)O A137901 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C(CN)C(=O)O A494514 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 C(CO)C(=O)O H136635 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 C(CS)C(=O)O M103035 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C(CS)C(=O)O M103036 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 C(CS)C(=O)O M590994 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 C(OC(=O)Cl)Cl C153890 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 C=CCC(=O)O B152769 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 C=CCC(=O)O B152771 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 CC#CC(=O)O B113384 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 CC(=C)CCO M158231 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 CC(=CC#N)N A163009 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 CC(=CC=O)C M158692 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 CC(=CCBr)C D104495 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 CC(=CCBr)C D104497 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 CC(=CCCl)C C189147 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 CC(=CCCl)C C638572 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 CC(=CCO)C M106454 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 CC(=CCO)C M106455 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 CC(=O)CCO H106330 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 CC(=O)COC M158844 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 CC(=O)NC=C N159504 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.1 CC(=O)NCO A151630 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 CC(=O)OC=C P101483 [0,0,0,0,0,0|0,0,0]=0 38 B5R0.1 CC(=O)OC=C P101485 [0,0,0,0,0,0|0,0,0]=0 39 B5R0.1 CC(=O)OC=C P101486 [0,0,0,0,0,0|0,0,0]=0 40 B5R0.1 CC(=O)OC=C P301634 [0,0,0,0,0,0|0,0,0]=0 41 B5R0.1 CC(=O)OC=C P304876 [0,0,0,0,0,0|0,0,0]=0 42 B5R0.1 CC(=O)OC=C P304877 [0,0,0,0,0,0|0,0,0]=0 43 B5R0.1 CC(=O)OC=C P304879 [0,0,0,0,0,0|0,0,0]=0 44 B5R0.1 CC(=O)OC=C P304880 [0,0,0,0,0,0|0,0,0]=0 45 B5R0.1 CC(=O)OC=C P304881 [0,0,0,0,0,0|0,0,0]=0 46 B5R0.1 CC(=O)OC=C P432376 [0,0,0,0,0,0|0,0,0]=0 47 B5R0.1 CC(=O)OC=C P489072 [0,0,0,0,0,0|0,0,0]=0 48 B5R0.1 CC(=O)OC=C V104470 [0,0,0,0,0,0|0,0,0]=0 49 B5R0.1 CC(=O)OC=C V104471 [0,0,0,0,0,0|0,0,0]=0 50 B5R0.1 CC(=O)OC=C V104472 [0,0,0,0,0,0|0,0,0]=0 51 B5R0.1 CC(=O)OCBr B122544 [0,0,0,0,0,0|1,0,1]=2 52 B5R0.1 CC(=O)OCCl C194261 [0,0,0,0,0,0|1,0,1]=2 53 B5R0.1 CC(C)CC=C M158219 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 CC(C)CC=O I103729 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.1 CC(C)CC=O I103733 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.1 CC(C)OC=O I112304 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.1 CC(C)OCCl C189120 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.1 CC(CC=C)O P160534 [0,0,0,0,0,0|1,0,2]=3 59 B5R0.1 CC(CC=C)O R467366 [0,0,0,0,0,0|1,0,2]=3 60 B5R0.1 CC(CC=C)O S467331 [0,0,0,0,0,0|1,0,2]=3 61 B5R0.1 CC=CC(=O)C P139100 [0,0,0,0,0,0|1,0,1]=2 62 B5R0.1 CC=CC(=O)Cl C102055 [0,0,0,0,0,0|2,0,1]=3 63 B5R0.1 CC=CC(=O)Cl C153881 [0,0,0,0,0,0|2,0,1]=3 64 B5R0.1 CC=CC(=O)N C153720 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.1 CC=CC(=O)O C104149 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 CC=CC(=O)O C104150 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 CC=CC(C)C M158236 [0,0,0,0,0,0|2,0,2]=4 68 B5R0.1 CC=CC(C)C T162379 [0,0,0,0,0,0|2,0,2]=4 69 B5R0.1 CCC=C(C)C M158233 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.1 CCCC(=C)C M158211 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.1 CCCC(=O)C P103780 [0,0,0,0,0,0|1,0,2]=3 72 B5R0.1 CCCC(=O)C P103781 [0,0,0,0,0,0|1,0,2]=3 73 B5R0.1 CCCC(=O)C P103782 [0,0,0,0,0,0|1,0,2]=3 74 B5R0.1 CCCC(=O)C P103783 [0,0,0,0,0,0|1,0,2]=3 75 B5R0.1 CCCC(=O)Cl B108666 [0,0,0,0,0,0|2,0,2]=4 76 B5R0.1 CCCC(=O)N B152329 [0,0,0,0,0,0|2,0,2]=4 77 B5R0.1 CCCC(=O)O B110438 [0,0,0,0,0,0|2,0,2]=4 78 B5R0.1 CCCC(=O)O B110439 [0,0,0,0,0,0|2,0,2]=4 79 B5R0.1 CCCC(=O)O B110440 [0,0,0,0,0,0|2,0,2]=4 80 B5R0.1 CCCC(=O)O B110442 [0,0,0,0,0,0|2,0,2]=4 81 B5R0.1 CCCC(=O)O B274612 [0,0,0,0,0,0|2,0,2]=4 82 B5R0.1 CCCC(=O)O B431361 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.1 CCCC(=O)[O-] S102954 [0,0,0,0,0,0|2,0,2]=4 84 B5R0.1 CCCC(=O)[O-] S102956 [0,0,0,0,0,0|2,0,2]=4 85 B5R0.1 CCCC(=O)[O-] S346178 [0,0,0,0,0,0|2,0,2]=4 86 B5R0.1 CCCC(=O)[O-] S421873 [0,0,0,0,0,0|2,0,2]=4 87 B5R0.1 CCNC(=O)C I135660 [0,0,0,0,0,0|1,0,2]=3 88 B5R0.1 CCNC(=O)N E105944 [0,0,0,0,0,0|2,0,2]=4 89 B5R0.1 CCOC(=N)C E132730 [0,0,0,0,0,0|1,0,2]=3 90 B5R0.1 CCOC(=N)N O183619 [0,0,0,0,0,0|2,0,2]=4 91 B5R0.1 CCOC(=O)C E116131 [0,0,0,0,0,0|0,0,2]=2 92 B5R0.1 CCOC(=O)C E116132 [0,0,0,0,0,0|0,0,2]=2 93 B5R0.1 CCOC(=O)C E116133 [0,0,0,0,0,0|0,0,2]=2 94 B5R0.1 CCOC(=O)C E116134 [0,0,0,0,0,0|0,0,2]=2 95 B5R0.1 CCOC(=O)C E116135 [0,0,0,0,0,0|0,0,2]=2 96 B5R0.1 CCOC(=O)C E116136 [0,0,0,0,0,0|0,0,2]=2 97 B5R0.1 CCOC(=O)C E116137 [0,0,0,0,0,0|0,0,2]=2 98 B5R0.1 CCOC(=O)C E116138 [0,0,0,0,0,0|0,0,2]=2 99 B5R0.1 CCOC(=O)C E116139 [0,0,0,0,0,0|0,0,2]=2 100 B5R0.1 CCOC(=O)C E116141 [0,0,0,0,0,0|0,0,2]=2 101 B5R0.1 CCOC(=O)C E116142 [0,0,0,0,0,0|0,0,2]=2 102 B5R0.1 CCOC(=O)C E119698 [0,0,0,0,0,0|0,0,2]=2 103 B5R0.1 CCOC(=O)C E141165 [0,0,0,0,0,0|0,0,2]=2 104 B5R0.1 CCOC(=O)C E302266 [0,0,0,0,0,0|0,0,2]=2 105 B5R0.1 CCOC(=O)C E432070 [0,0,0,0,0,0|0,0,2]=2 106 B5R0.1 CCOC(=O)N C266075 [0,0,0,0,0,0|1,0,2]=3 107 B5R0.1 CCOC(=O)N E424443 [0,0,0,0,0,0|1,0,2]=3 108 B5R0.1 CCOC(=O)N U108629 [0,0,0,0,0,0|1,0,2]=3 109 B5R0.1 CCOC(=O)N U299635 [0,0,0,0,0,0|1,0,2]=3 110 B5R0.1 CCOC(=S)[S-] P110999 [0,0,0,0,0,0|1,1,2]=4 111 B5R0.1 CCOC(=S)[S-] P111000 [0,0,0,0,0,0|1,1,2]=4 112 B5R0.1 CCOC(=S)[S-] S161075 [0,0,0,0,0,0|1,1,2]=4 113 B5R0.1 CCOC(=S)[S-] S298709 [0,0,0,0,0,0|1,1,2]=4 114 B5R0.1 CCO[Si](=O)O E302202 [0,0,0,0,0,0|1,1,2]=4 115 B5R0.1 CCO[Si](C)C D191031 [0,0,0,0,0,0|1,1,2]=4 116 B5R0.1 CCSC(=O)C E107950 [0,0,0,0,0,0|0,1,2]=3 117 B5R0.1 CCSC(=S)C E338928 [0,0,0,0,0,0|0,2,2]=4 118 B5R0.1 CN(C)CC=C D117859 [0,0,0,0,0,0|3,0,0]=3 119 B5R0.1 CN(C)CC=O D587172 [0,0,0,0,0,0|4,0,0]=4 120 B5R0.1 CNCC(=O)N S115899 [0,0,0,0,0,0|3,0,1]=4 121 B5R0.1 CNCC(=O)O S102891 [0,0,0,0,0,0|3,0,1]=4 122 B5R0.1 CNCC(=O)O S113893 [0,0,0,0,0,0|3,0,1]=4 123 B5R0.1 CNCC(=O)O S420541 [0,0,0,0,0,0|3,0,1]=4 124 B5R0.1 CNCC(=O)[O-] S189142 [0,0,0,0,0,0|3,0,1]=4 125 B5R0.1 COCC(=O)Cl M124203 [0,0,0,0,0,0|3,0,1]=4 126 B5R0.1 COCC(=O)O M158057 [0,0,0,0,0,0|3,0,1]=4 127 B5R0.1 CSCC(=O)N M158330 [0,0,0,0,0,0|3,0,1]=4 128 B5R0.1 CSCC(=O)O M168970 [0,0,0,0,0,0|3,0,1]=4 129 B5R0.1 CSCS(=O)C M158415 [0,0,0,0,0,0|3,0,1]=4 130 B5R0.1 [N+](=O)([O-])O[Bi]=O B104564 [0,0,0,0,0,0|4,0,0]=4 131 B4R0.1 C#CC(=O)N P344736 [1,0,0,0,0,0|1,0,2]=4 132 B4R0.1 C#CC(=O)O P109569 [1,0,0,0,0,0|1,0,2]=4 133 B4R0.1 C(=C(Cl)Cl)Cl T100714 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.1 C(=C(Cl)Cl)Cl T100715 [1,0,0,0,0,0|3,0,0]=4 135 B4R0.1 C(=C(Cl)Cl)Cl T100717 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.1 C(=C(Cl)Cl)Cl T100719 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 C(=C(Cl)Cl)Cl T119718 [1,0,0,0,0,0|3,0,0]=4 138 B4R0.1 C(=O)(N)NN A105056 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.1 C(=O)(N)NN A105058 [1,0,0,0,0,0|3,0,0]=4 140 B4R0.1 C(=O)(N)NN S171063 [1,0,0,0,0,0|3,0,0]=4 141 B4R0.1 C(=O)(N)NO H106352 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.1 C(=O)(SCl)Cl C154038 [1,0,0,0,0,0|2,1,0]=4 143 B4R0.1 C(=O)C(=O)O G108309 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.1 C(=O)C(=O)O G169372 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.1 C(C(=O)Br)Br B106897 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.1 C(C(=O)Cl)Br B137113 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 C(C(=O)N)Br B139173 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.1 C(C(=O)N)Cl C106072 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.1 C(C(=O)N)I I105563 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 C(C(=O)N)I I131590 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.1 C(C(=O)N)I I421630 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 C(C(=O)N)N G106202 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 C(C(=O)N)N G185482 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 C(C(=O)N)O G102639 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.1 C(C(=O)O)Br B108523 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.1 C(C(=O)O)Br B108524 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.1 C(C(=O)O)Br B108525 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.1 C(C(=O)O)Br B355164 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.1 C(C(=O)O)Br B434194 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.1 C(C(=O)O)Cl C485697 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 C(C(=O)O)I I104613 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 C(C(=O)O)N A110749 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 C(C(=O)O)N A110750 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.1 C(C(=O)O)N A110751 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.1 C(C(=O)O)N A110752 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.1 C(C(=O)O)N A111465 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.1 C(C(=O)O)N A124751 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.1 C(C(=O)O)N A124757 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.1 C(C(=O)O)N A298706 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.1 C(C(=O)O)N B190646 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.1 C(C(=O)O)N B573462 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.1 C(C(=O)O)N G110174 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.1 C(C(=O)O)N G119904 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.1 C(C(=O)O)N G133060 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.1 C(C(=O)O)N G156794 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.1 C(C(=O)O)N G156795 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.1 C(C(=O)O)N G432934 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.1 C(C(=O)O)N G432935 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.1 C(C(=O)O)N G471905 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.1 C(C(=O)O)N G472098 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.1 C(C(=O)O)O G104191 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.1 C(C(=O)O)O G104193 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.1 C(C(=O)O)O G425976 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.1 C(C(=O)O)O G434198 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.1 C(C(=O)O)O G591002 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.1 C(C(=O)O)O N129652 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.1 C(C(=O)O)O N427119 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.1 C(C(=O)O)O P136309 [1,0,0,0,0,0|2,0,1]=4 189 B4R0.1 C(C(=O)O)O P477164 [1,0,0,0,0,0|2,0,1]=4 190 B4R0.1 C(C(=O)O)S T104998 [1,0,0,0,0,0|2,0,1]=4 191 B4R0.1 C(C(=O)O)S T105002 [1,0,0,0,0,0|2,0,1]=4 192 B4R0.1 C(C(=O)O)S T501446 [1,0,0,0,0,0|2,0,1]=4 193 B4R0.1 C(C(=O)[O-])Br S124697 [1,0,0,0,0,0|2,0,1]=4 194 B4R0.1 C(C(=O)[O-])Cl S108371 [1,0,0,0,0,0|2,0,1]=4 195 B4R0.1 C(C(=O)[O-])I S104897 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.1 C(C(=O)[O-])N F302712 [1,0,0,0,0,0|2,0,1]=4 197 B4R0.1 C(C(=O)[O-])N G104214 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.1 C(C(=O)[O-])N G156806 [1,0,0,0,0,0|2,0,1]=4 199 B4R0.1 C(C(=O)[O-])N G168473 [1,0,0,0,0,0|2,0,1]=4 200 B4R0.1 C(C(=O)[O-])N M302926 [1,0,0,0,0,0|2,0,1]=4 201 B4R0.1 C(C(=O)[O-])O C154022 [1,0,0,0,0,0|2,0,1]=4 202 B4R0.1 C(C(=O)[O-])O C347797 [1,0,0,0,0,0|2,0,1]=4 203 B4R0.1 C(C(=O)[O-])O S102872 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.1 C(C(=O)[O-])S A109096 [1,0,0,0,0,0|2,0,1]=4 205 B4R0.1 C(C(=O)[O-])S C154034 [1,0,0,0,0,0|2,0,1]=4 206 B4R0.1 C(C(=O)[O-])S S105664 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.1 C=CC(=O)Cl A104614 [1,0,0,0,0,0|1,0,0]=2 208 B4R0.1 C=CC(=O)N A108465 [1,0,0,0,0,0|1,0,0]=2 209 B4R0.1 C=CC(=O)N A108466 [1,0,0,0,0,0|1,0,0]=2 210 B4R0.1 C=CC(=O)N A108467 [1,0,0,0,0,0|1,0,0]=2 211 B4R0.1 C=CC(=O)N A108468 [1,0,0,0,0,0|1,0,0]=2 212 B4R0.1 C=CC(=O)N A108469 [1,0,0,0,0,0|1,0,0]=2 213 B4R0.1 C=CC(=O)N A108470 [1,0,0,0,0,0|1,0,0]=2 214 B4R0.1 C=CC(=O)N A353801 [1,0,0,0,0,0|1,0,0]=2 215 B4R0.1 C=CC(=O)N P108471 [1,0,0,0,0,0|1,0,0]=2 216 B4R0.1 C=CC(=O)N P434410 [1,0,0,0,0,0|1,0,0]=2 217 B4R0.1 C=CC(=O)N P434411 [1,0,0,0,0,0|1,0,0]=2 218 B4R0.1 C=CC(=O)N P477438 [1,0,0,0,0,0|1,0,0]=2 219 B4R0.1 C=CC(=O)O A103525 [1,0,0,0,0,0|1,0,0]=2 220 B4R0.1 C=CC(=O)O A103526 [1,0,0,0,0,0|1,0,0]=2 221 B4R0.1 C=CC(=O)O A397753 [1,0,0,0,0,0|1,0,0]=2 222 B4R0.1 C=CC(=O)O A434196 [1,0,0,0,0,0|1,0,0]=2 223 B4R0.1 C=CC(=O)O A615488 [1,0,0,0,0,0|1,0,0]=2 224 B4R0.1 C=CC(=O)O P104270 [1,0,0,0,0,0|1,0,0]=2 225 B4R0.1 C=CC(=O)O P104272 [1,0,0,0,0,0|1,0,0]=2 226 B4R0.1 C=CC(=O)O P131657 [1,0,0,0,0,0|1,0,0]=2 227 B4R0.1 C=CC(=O)O P131658 [1,0,0,0,0,0|1,0,0]=2 228 B4R0.1 C=CC(=O)O P131659 [1,0,0,0,0,0|1,0,0]=2 229 B4R0.1 C=CC(=O)O P299190 [1,0,0,0,0,0|1,0,0]=2 230 B4R0.1 C=CC(=O)O P404949 [1,0,0,0,0,0|1,0,0]=2 231 B4R0.1 C=CC(=O)O P639633 [1,0,0,0,0,0|1,0,0]=2 232 B4R0.1 C=CC(=O)[O-] M304023 [1,0,0,0,0,0|1,0,0]=2 233 B4R0.1 C=CC(=O)[O-] P304873 [1,0,0,0,0,0|1,0,0]=2 234 B4R0.1 C=CC(=O)[O-] P434406 [1,0,0,0,0,0|1,0,0]=2 235 B4R0.1 C=CC(=O)[O-] P434407 [1,0,0,0,0,0|1,0,0]=2 236 B4R0.1 C=CC(=O)[O-] P434408 [1,0,0,0,0,0|1,0,0]=2 237 B4R0.1 C=CC(=O)[O-] P434409 [1,0,0,0,0,0|1,0,0]=2 238 B4R0.1 C=CC(=O)[O-] S108368 [1,0,0,0,0,0|1,0,0]=2 239 B4R0.1 C=CC(=O)[O-] S165277 [1,0,0,0,0,0|1,0,0]=2 240 B4R0.1 C=CC(=O)[O-] S298808 [1,0,0,0,0,0|1,0,0]=2 241 B4R0.1 C=CC(=O)[O-] S304539 [1,0,0,0,0,0|1,0,0]=2 242 B4R0.1 C=CC(=O)[O-] S434405 [1,0,0,0,0,0|1,0,0]=2 243 B4R0.1 C=CC(=O)[O-] Z472262 [1,0,0,0,0,0|1,0,0]=2 244 B4R0.1 CC(=C)C#C M189215 [1,0,0,0,0,0|1,0,2]=4 245 B4R0.1 CC(=C)C=O M133597 [1,0,0,0,0,0|2,0,0]=3 246 B4R0.1 CC(=C)C=O M139714 [1,0,0,0,0,0|2,0,0]=3 247 B4R0.1 CC(=C)CBr B101577 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.1 CC(=C)CCl C106528 [1,0,0,0,0,0|2,0,1]=4 249 B4R0.1 CC(=C)CN M158608 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.1 CC(=C)CO M107570 [1,0,0,0,0,0|2,0,1]=4 251 B4R0.1 CC(=CBr)C B163037 [1,0,0,0,0,0|2,0,0]=3 252 B4R0.1 CC(=CCl)C C170698 [1,0,0,0,0,0|2,0,0]=3 253 B4R0.1 CC(=NN)N A193172 [1,0,0,0,0,0|3,0,0]=4 254 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|3,0,0]=4 255 B4R0.1 CC(=NO)N A151385 [1,0,0,0,0,0|3,0,0]=4 256 B4R0.1 CC(=O)C#C B101576 [1,0,0,0,0,0|0,0,2]=3 257 B4R0.1 CC(=O)C#N P466890 [1,0,0,0,0,0|1,0,1]=3 258 B4R0.1 CC(=O)C=O M109035 [1,0,0,0,0,0|1,0,0]=2 259 B4R0.1 CC(=O)C=O M109036 [1,0,0,0,0,0|1,0,0]=2 260 B4R0.1 CC(=O)CF F170335 [1,0,0,0,0,0|1,0,1]=3 261 B4R0.1 CC(=O)CN A186558 [1,0,0,0,0,0|1,0,1]=3 262 B4R0.1 CC(=O)CN A485063 [1,0,0,0,0,0|1,0,1]=3 263 B4R0.1 CC(=O)CO H111149 [1,0,0,0,0,0|1,0,1]=3 264 B4R0.1 CC(=O)NBr N159711 [1,0,0,0,0,0|2,0,0]=3 265 B4R0.1 CC(=O)NC M106450 [1,0,0,0,0,0|1,0,1]=3 266 B4R0.1 CC(=O)NN A151537 [1,0,0,0,0,0|2,0,0]=3 267 B4R0.1 CC(=O)NO A106239 [1,0,0,0,0,0|2,0,0]=3 268 B4R0.1 CC(=O)OC M103353 [1,0,0,0,0,0|0,0,1]=2 269 B4R0.1 CC(=O)OC M103354 [1,0,0,0,0,0|0,0,1]=2 270 B4R0.1 CC(=O)OC M103356 [1,0,0,0,0,0|0,0,1]=2 271 B4R0.1 CC(=O)OC M103357 [1,0,0,0,0,0|0,0,1]=2 272 B4R0.1 CC(=O)OC M103358 [1,0,0,0,0,0|0,0,1]=2 273 B4R0.1 CC(=O)OC M103359 [1,0,0,0,0,0|0,0,1]=2 274 B4R0.1 CC(=O)O[Al] A283286 [1,0,0,0,0,0|1,0,0]=2 275 B4R0.1 CC(=O)SC S161332 [1,0,0,0,0,0|0,1,1]=3 276 B4R0.1 CC(C)C=O I108291 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.1 CC(C)C=O I108292 [1,0,0,0,0,0|2,0,1]=4 278 B4R0.1 CC(C)C=O I108293 [1,0,0,0,0,0|2,0,1]=4 279 B4R0.1 CC(C=C)Cl C163038 [1,0,0,0,0,0|1,0,1]=3 280 B4R0.1 CC(C=C)O B152755 [1,0,0,0,0,0|0,0,2]=3 281 B4R0.1 CC=C(C)Br B151979 [1,0,0,0,0,0|1,0,1]=3 282 B4R0.1 CC=C(C)Cl C153915 [1,0,0,0,0,0|1,0,1]=3 283 B4R0.1 CC=C(Cl)Cl D128125 [1,0,0,0,0,0|2,0,1]=4 284 B4R0.1 CCC(=O)Br P107847 [1,0,0,0,0,0|1,0,2]=4 285 B4R0.1 CCC(=O)C B471974 [1,0,0,0,0,0|0,0,2]=3 286 B4R0.1 CCC(=O)Cl P108665 [1,0,0,0,0,0|1,0,2]=4 287 B4R0.1 CCC(=O)N P104016 [1,0,0,0,0,0|1,0,2]=4 288 B4R0.1 CCC(=O)O P110443 [1,0,0,0,0,0|1,0,2]=4 289 B4R0.1 CCC(=O)O P110444 [1,0,0,0,0,0|1,0,2]=4 290 B4R0.1 CCC(=O)O P110445 [1,0,0,0,0,0|1,0,2]=4 291 B4R0.1 CCC(=O)O P110446 [1,0,0,0,0,0|1,0,2]=4 292 B4R0.1 CCC(=O)O P110447 [1,0,0,0,0,0|1,0,2]=4 293 B4R0.1 CCC(=O)O P301795 [1,0,0,0,0,0|1,0,2]=4 294 B4R0.1 CCC(=O)O P343294 [1,0,0,0,0,0|1,0,2]=4 295 B4R0.1 CCC(=O)O P346208 [1,0,0,0,0,0|1,0,2]=4 296 B4R0.1 CCC(=O)O P434195 [1,0,0,0,0,0|1,0,2]=4 297 B4R0.1 CCC(=O)[O-] C112470 [1,0,0,0,0,0|1,0,2]=4 298 B4R0.1 CCC(=O)[O-] C112471 [1,0,0,0,0,0|1,0,2]=4 299 B4R0.1 CCC(=O)[O-] C492256 [1,0,0,0,0,0|1,0,2]=4 300 B4R0.1 CCC(=O)[O-] P160177 [1,0,0,0,0,0|1,0,2]=4 301 B4R0.1 CCC(=O)[O-] S100120 [1,0,0,0,0,0|1,0,2]=4 302 B4R0.1 CCC(=O)[O-] S100121 [1,0,0,0,0,0|1,0,2]=4 303 B4R0.1 CCC(=O)[O-] S100122 [1,0,0,0,0,0|1,0,2]=4 304 B4R0.1 CCC(=O)[O-] S346177 [1,0,0,0,0,0|1,0,2]=4 305 B4R0.1 CCC(=O)[O-] Z346699 [1,0,0,0,0,0|1,0,2]=4 306 B4R0.1 CN(C)C=O D111998 [1,0,0,0,0,0|3,0,0]=4 307 B4R0.1 CN(C)C=O D111999 [1,0,0,0,0,0|3,0,0]=4 308 B4R0.1 CN(C)C=O D112000 [1,0,0,0,0,0|3,0,0]=4 309 B4R0.1 CN(C)C=O D112002 [1,0,0,0,0,0|3,0,0]=4 310 B4R0.1 CN(C)C=O D112003 [1,0,0,0,0,0|3,0,0]=4 311 B4R0.1 CN(C)C=O D112004 [1,0,0,0,0,0|3,0,0]=4 312 B4R0.1 CN(C)C=O D112007 [1,0,0,0,0,0|3,0,0]=4 313 B4R0.1 CN(C)C=O D112008 [1,0,0,0,0,0|3,0,0]=4 314 B4R0.1 CN(C)C=O D112009 [1,0,0,0,0,0|3,0,0]=4 315 B4R0.1 CN(C)C=O D119450 [1,0,0,0,0,0|3,0,0]=4 316 B4R0.1 CN(C)C=O D301788 [1,0,0,0,0,0|3,0,0]=4 317 B4R0.1 CN(C)C=O D639253 [1,0,0,0,0,0|3,0,0]=4 318 B4R0.1 CN(C)C=O N433309 [1,0,0,0,0,0|3,0,0]=4 319 B4R0.1 CN(C)C=S N139246 [1,0,0,0,0,0|3,0,0]=4 320 B4R0.1 CN(C)N=C F156632 [1,0,0,0,0,0|3,0,0]=4 321 B4R0.1 CNC(=O)Cl M304270 [1,0,0,0,0,0|2,0,1]=4 322 B4R0.1 CNC(=O)N M107951 [1,0,0,0,0,0|2,0,1]=4 323 B4R0.1 COC(=N)N O159961 [1,0,0,0,0,0|2,0,1]=4 324 B4R0.1 COC(=N)N O299457 [1,0,0,0,0,0|2,0,1]=4 325 B4R0.1 COC(=O)N M110332 [1,0,0,0,0,0|1,0,1]=3 326 B4R0.1 C[N+](=CCl)C C153896 [1,0,0,0,0,0|3,0,0]=4 327 B4R0.1 NC(=O)NO H408867 [1,0,0,0,0,0|3,0,0]=4 328 B4R0.2 B(=O)OB=O B108404 [1,0,0,0,0,0|3,0,0]=4 329 B4R0.2 B(=O)OB=O B108405 [1,0,0,0,0,0|3,0,0]=4 330 B4R0.2 B(=O)OB=O B108406 [1,0,0,0,0,0|3,0,0]=4 331 B4R0.2 B(=O)OB=O B118450 [1,0,0,0,0,0|3,0,0]=4 332 B4R0.2 B(=O)OB=O B278635 [1,0,0,0,0,0|3,0,0]=4 333 B4R0.2 C(=O)[N-]C=O S160985 [1,0,0,0,0,0|2,0,0]=3 334 B4R0.2 C(CO)C=O H588118 [1,0,0,0,0,0|2,0,1]=4 335 B4R0.2 C=CCC#N A124212 [1,0,0,0,0,0|2,0,1]=4 336 B4R0.2 C=CCCBr B106906 [1,0,0,0,0,0|2,0,1]=4 337 B4R0.2 C=CCCCl C405543 [1,0,0,0,0,0|2,0,1]=4 338 B4R0.2 C=CCCN B167997 [1,0,0,0,0,0|2,0,1]=4 339 B4R0.2 C=CCCO B120318 [1,0,0,0,0,0|1,0,2]=4 340 B4R0.2 C=CCON O159949 [1,0,0,0,0,0|3,0,0]=4 341 B4R0.2 C=CNC=O N159503 [1,0,0,0,0,0|1,0,0]=2 342 B4R0.2 CC=CC#N B111228 [1,0,0,0,0,0|2,0,1]=4 343 B4R0.2 CC=CCCl C153477 [1,0,0,0,0,0|2,0,1]=4 344 B4R0.2 CC=CCCl C153917 [1,0,0,0,0,0|2,0,1]=4 345 B4R0.2 CC=CCO C106252 [1,0,0,0,0,0|2,0,1]=4 346 B4R0.2 CCC=C=C P160269 [1,0,0,0,0,0|1,0,2]=4 347 B4R0.2 CCCC=O B100299 [1,0,0,0,0,0|1,0,2]=4 348 B4R0.2 CCCC=O B100302 [1,0,0,0,0,0|1,0,2]=4 349 B4R0.2 CCCC=O B305593 [1,0,0,0,0,0|1,0,2]=4 350 B4R0.2 CCNC=O N159329 [1,0,0,0,0,0|1,0,2]=4 351 B4R0.2 CCOC#C E113364 [1,0,0,0,0,0|0,0,3]=4 352 B4R0.2 CCOC#C E579852 [1,0,0,0,0,0|0,0,3]=4 353 B4R0.2 CCOC=C P475896 [1,0,0,0,0,0|0,0,1]=2 354 B4R0.2 CCOC=O E110412 [1,0,0,0,0,0|0,0,2]=3 355 B4R0.2 CCOC=O E110414 [1,0,0,0,0,0|0,0,2]=3 356 B4R0.2 CCOC=O E110415 [1,0,0,0,0,0|0,0,2]=3 357 B4R0.2 CCOC=O E110417 [1,0,0,0,0,0|0,0,2]=3 358 B4R0.2 CCOC=O E139940 [1,0,0,0,0,0|0,0,2]=3 359 B4R0.2 CCOCC B104430 [1,0,0,0,0,0|0,0,3]=4 360 B4R0.2 CCOCC B104431 [1,0,0,0,0,0|0,0,3]=4 361 B4R0.2 CCOCC B299094 [1,0,0,0,0,0|0,0,3]=4 362 B4R0.2 CCOCC B431395 [1,0,0,0,0,0|0,0,3]=4 363 B4R0.2 CCOCC M345280 [1,0,0,0,0,0|0,0,3]=4 364 B4R0.2 CCOCC T189182 [1,0,0,0,0,0|0,0,3]=4 365 B4R0.2 CCOCC T498340 [1,0,0,0,0,0|0,0,3]=4 366 B4R0.2 CCOCCl C137178 [1,0,0,0,0,0|1,0,2]=4 367 B4R0.2 CCSC=C E156347 [1,0,0,0,0,0|0,1,1]=3 368 B4R0.2 CNCC=C I136680 [1,0,0,0,0,0|2,0,0]=3 369 B4R0.2 COCC=C A135232 [1,0,0,0,0,0|2,0,0]=3 370 B4R0.2 CSCC=C A101060 [1,0,0,0,0,0|2,0,0]=3 371 B4R0.2 O=[Al]O[Al]=O A102878 [1,0,0,0,0,0|3,0,0]=4 372 B4R0.2 O=[Al]O[Al]=O A102879 [1,0,0,0,0,0|3,0,0]=4 373 B4R0.2 O=[Al]O[Al]=O A102880 [1,0,0,0,0,0|3,0,0]=4 374 B4R0.2 O=[Al]O[Al]=O A131580 [1,0,0,0,0,0|3,0,0]=4 375 B4R0.2 O=[Al]O[Al]=O A140032 [1,0,0,0,0,0|3,0,0]=4 376 B4R0.2 O=[Al]O[Al]=O A399398 [1,0,0,0,0,0|3,0,0]=4 377 B4R0.2 O=[Al]O[Al]=O D302549 [1,0,0,0,0,0|3,0,0]=4 378 B4R0.2 O=[Al]O[Al]=O D590951 [1,0,0,0,0,0|3,0,0]=4 379 B4R0.2 O=[Al]O[Al]=O P103646 [1,0,0,0,0,0|3,0,0]=4 380 B4R0.2 O=[Al]O[Al]=O P580753 [1,0,0,0,0,0|3,0,0]=4 381 B4R0.2 O=[Al]O[Al]=O W302559 [1,0,0,0,0,0|3,0,0]=4 382 B4R0.2 O=[Bi]O[Bi]=O B105153 [1,0,0,0,0,0|3,0,0]=4 383 B4R0.2 O=[Bi]O[Bi]=O B105159 [1,0,0,0,0,0|3,0,0]=4 384 B4R0.2 O=[Bi]O[Bi]=O B105160 [1,0,0,0,0,0|3,0,0]=4 385 B4R0.2 O=[Bi]O[Bi]=O B105161 [1,0,0,0,0,0|3,0,0]=4 386 B4R0.2 O=[Co]O[Co]=O C111613 [1,0,0,0,0,0|3,0,0]=4 387 B4R0.2 O=[Co]O[Co]=O C111614 [1,0,0,0,0,0|3,0,0]=4 388 B4R0.2 O=[Co]O[Co]=O C111615 [1,0,0,0,0,0|3,0,0]=4 389 B4R0.2 O=[Co]O[Co]=O C111616 [1,0,0,0,0,0|3,0,0]=4 390 B4R0.2 O=[Co]O[Co]=O C111617 [1,0,0,0,0,0|3,0,0]=4 391 B4R0.2 O=[Co]O[Co]=O C131625 [1,0,0,0,0,0|3,0,0]=4 392 B4R0.2 O=[Co]O[Co]=O C141406 [1,0,0,0,0,0|3,0,0]=4 393 B4R0.2 O=[Co]O[Co]=O C299388 [1,0,0,0,0,0|3,0,0]=4 394 B4R0.2 O=[Co]O[Co]=O C299509 [1,0,0,0,0,0|3,0,0]=4 395 B4R0.2 O=[Cr]O[Cr]=O C105405 [1,0,0,0,0,0|3,0,0]=4 396 B4R0.2 O=[Cr]O[Cr]=O C118496 [1,0,0,0,0,0|3,0,0]=4 397 B4R0.2 O=[Cr]O[Cr]=O C141359 [1,0,0,0,0,0|3,0,0]=4 398 B4R0.2 O=[Cr]O[Cr]=O C294484 [1,0,0,0,0,0|3,0,0]=4 399 B4R0.2 O=[Cr]O[Cr]=O C344566 [1,0,0,0,0,0|3,0,0]=4 400 B4R0.2 O=[Dy]O[Dy]=O D351606 [1,0,0,0,0,0|3,0,0]=4 401 B4R0.2 O=[Mn]O[Mn]=O M190551 [1,0,0,0,0,0|3,0,0]=4 402 B4R0.2 O=[Mn]O[Mn]=O M431858 [1,0,0,0,0,0|3,0,0]=4 403 B4R0.2 O=[Tb]O[Tb]=O T475154 [1,0,0,0,0,0|3,0,0]=4 404 B4R0.2 O=[Ti]O[Ti]=O T119199 [1,0,0,0,0,0|3,0,0]=4 405 B4R0.2 O=[Ti]O[Ti]=O T477660 [1,0,0,0,0,0|3,0,0]=4 406 B4R0.2 O=[V]O[V]=O V302366 [1,0,0,0,0,0|3,0,0]=4 407 B4R0.2 O=[Y]O[Y]=O Z119242 [1,0,0,0,0,0|3,0,0]=4 408 B6R0.1 C(C(=O)NCO)Cl C169257 [0,1,0,0,0,0|2,0,1]=4 409 B6R0.1 C=COC(=O)CCl V162952 [0,1,0,0,0,0|0,0,0]=1 410 B6R0.1 CC#CC(=O)OC M158860 [0,1,0,0,0,0|1,0,2]=4 411 B6R0.1 CC=CC(=O)OC M109486 [0,1,0,0,0,0|1,0,1]=3 412 B6R0.1 CCC(=O)C=CC E404567 [0,1,0,0,0,0|1,0,1]=3 413 B6R0.1 CCC(=O)C=CC H111425 [0,1,0,0,0,0|1,0,1]=3 414 B6R0.1 CCC(=O)OC=C V162937 [0,1,0,0,0,0|0,0,0]=1 415 B6R0.1 CCC(=O)OCC E103457 [0,1,0,0,0,0|0,0,2]=3 416 B6R0.1 CCC(=O)OCC E103458 [0,1,0,0,0,0|0,0,2]=3 417 B6R0.1 CCC(=O)OCC E103459 [0,1,0,0,0,0|0,0,2]=3 418 B6R0.1 CCC(=O)OCC E103460 [0,1,0,0,0,0|0,0,2]=3 419 B6R0.1 CCC(=O)OCC E278958 [0,1,0,0,0,0|0,0,2]=3 420 B6R0.1 CCC(=O)SCC S133123 [0,1,0,0,0,0|0,1,2]=4 421 B6R0.1 CCC=C(C)C=O M102187 [0,1,0,0,0,0|1,0,2]=4 422 B6R0.1 CCCC(=O)CC H106710 [0,1,0,0,0,0|1,0,2]=4 423 B6R0.1 CCCC(=O)OC M100038 [0,1,0,0,0,0|1,0,2]=4 424 B6R0.1 CCCC(=O)OC M100039 [0,1,0,0,0,0|1,0,2]=4 425 B6R0.1 CCCC(=O)OC M100040 [0,1,0,0,0,0|1,0,2]=4 426 B6R0.1 CCCC(=O)SC M102997 [0,1,0,0,0,0|1,0,2]=4 427 B6R0.1 CCOC(=NO)C E124202 [0,1,0,0,0,0|0,0,3]=4 428 B6R0.1 CCOC(=O)C#C E107738 [0,1,0,0,0,0|0,0,3]=4 429 B6R0.1 CCOC(=O)C#C E357742 [0,1,0,0,0,0|0,0,3]=4 430 B6R0.1 CCOC(=O)C#N E106582 [0,1,0,0,0,0|0,0,3]=4 431 B6R0.1 CCOC(=O)C#N E298724 [0,1,0,0,0,0|0,0,3]=4 432 B6R0.1 CCOC(=O)C=C E112943 [0,1,0,0,0,0|0,0,3]=4 433 B6R0.1 CCOC(=O)C=C E112944 [0,1,0,0,0,0|0,0,3]=4 434 B6R0.1 CCOC(=O)C=C E112945 [0,1,0,0,0,0|0,0,3]=4 435 B6R0.1 CCOC(=O)C=C E465763 [0,1,0,0,0,0|0,0,3]=4 436 B6R0.1 CCOC(=O)C=O E106246 [0,1,0,0,0,0|0,0,3]=4 437 B6R0.1 CCOC(=O)CBr E106090 [0,1,0,0,0,0|0,0,2]=3 438 B6R0.1 CCOC(=O)CCl E105166 [0,1,0,0,0,0|0,0,2]=3 439 B6R0.1 CCOC(=O)CCl E105167 [0,1,0,0,0,0|0,0,2]=3 440 B6R0.1 CCOC(=O)CF E107563 [0,1,0,0,0,0|0,0,2]=3 441 B6R0.1 CCOC(=O)CN G105477 [0,1,0,0,0,0|0,0,2]=3 442 B6R0.1 CCOC(=O)CO E101730 [0,1,0,0,0,0|0,0,2]=3 443 B6R0.1 CCOC(=O)CS E109439 [0,1,0,0,0,0|0,0,2]=3 444 B6R0.1 CCOC(=O)NN E133700 [0,1,0,0,0,0|1,0,2]=4 445 B6R0.1 CCOC(=O)OC E110111 [0,1,0,0,0,0|0,0,2]=3 446 B6R0.1 CCOC(=O)OC E433135 [0,1,0,0,0,0|0,0,2]=3 447 B6R0.1 CNC(=O)CC#N C185694 [0,1,0,0,0,0|2,0,1]=4 448 B6R0.1 COC(=O)C=CI E589680 [0,1,0,0,0,0|2,0,0]=3 449 B6R0.1 COC(=O)CC#N M110112 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.1 COC(=O)CC=C M341924 [0,1,0,0,0,0|1,0,0]=2 451 B6R0.1 COC(=O)CCBr M158830 [0,1,0,0,0,0|2,0,1]=4 452 B6R0.1 COC(=O)CCN A104532 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.1 COC(=O)CCO D304149 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.1 COC(=O)CCS M107600 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.1 COC(=O)CSC M120419 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.1 COC(=O)C[N+]#[C-] M157837 [0,1,0,0,0,0|2,0,1]=4 457 B6R0.1 COC(=O)OCCl C347908 [0,1,0,0,0,0|1,0,1]=3 458 B6R0.1 COCC(=O)OC M106398 [0,1,0,0,0,0|2,0,1]=4 459 B6R0.2 C(=NC(=O)N)(N)N C358805 [0,1,0,0,0,0|3,0,0]=4 460 B6R0.2 C(=NC(=O)N)(N)N G156819 [0,1,0,0,0,0|3,0,0]=4 461 B6R0.2 C(=O)(N)NC(=O)N B111665 [0,1,0,0,0,0|3,0,0]=4 462 B6R0.2 C(=O)(N)NC(=O)N B111666 [0,1,0,0,0,0|3,0,0]=4 463 B6R0.2 C(=O)(N)NC(=O)N B196397 [0,1,0,0,0,0|3,0,0]=4 464 B6R0.2 C(C(=N)N)C(=O)N A136566 [0,1,0,0,0,0|3,0,0]=4 465 B6R0.2 C(C(=O)Cl)C(=O)Cl M104009 [0,1,0,0,0,0|3,0,0]=4 466 B6R0.2 C(C(=O)N)C(=O)N M104019 [0,1,0,0,0,0|3,0,0]=4 467 B6R0.2 C(C(=O)N)C(=O)O M168857 [0,1,0,0,0,0|3,0,0]=4 468 B6R0.2 C(C(=O)O)C(=O)O M103513 [0,1,0,0,0,0|3,0,0]=4 469 B6R0.2 C(C(=O)O)C(=O)O M103514 [0,1,0,0,0,0|3,0,0]=4 470 B6R0.2 C(C(=O)O)C(=O)O M305754 [0,1,0,0,0,0|3,0,0]=4 471 B6R0.2 C(C(=O)O)C(=O)O M421547 [0,1,0,0,0,0|3,0,0]=4 472 B6R0.2 C(C(=O)[O-])C(=O)[O-] S104172 [0,1,0,0,0,0|3,0,0]=4 473 B6R0.2 C(C(=O)[O-])C(=O)[O-] S140213 [0,1,0,0,0,0|3,0,0]=4 474 B6R0.2 CC(=C)OC(=O)C I108612 [0,1,0,0,0,0|0,0,0]=1 475 B6R0.2 CC(=CC(=O)C)C M105926 [0,1,0,0,0,0|1,0,1]=3 476 B6R0.2 CC(=CC(=O)C)C M105927 [0,1,0,0,0,0|1,0,1]=3 477 B6R0.2 CC(=CC(=O)C)C M105928 [0,1,0,0,0,0|1,0,1]=3 478 B6R0.2 CC(=CC(=O)C)N F156686 [0,1,0,0,0,0|1,0,1]=3 479 B6R0.2 CC(=CC(=O)C)O A118525 [0,1,0,0,0,0|1,0,1]=3 480 B6R0.2 CC(=CC(=O)C)O A118538 [0,1,0,0,0,0|1,0,1]=3 481 B6R0.2 CC(=CC(=O)C)O A579873 [0,1,0,0,0,0|1,0,1]=3 482 B6R0.2 CC(=CC(=O)C)O B152272 [0,1,0,0,0,0|1,0,1]=3 483 B6R0.2 CC(=CC(=O)C)O C109323 [0,1,0,0,0,0|1,0,1]=3 484 B6R0.2 CC(=CC(=O)C)O C140817 [0,1,0,0,0,0|1,0,1]=3 485 B6R0.2 CC(=CC(=O)C)O C283471 [0,1,0,0,0,0|1,0,1]=3 486 B6R0.2 CC(=CC(=O)C)O C486854 [0,1,0,0,0,0|1,0,1]=3 487 B6R0.2 CC(=CC(=O)C)O D302912 [0,1,0,0,0,0|1,0,1]=3 488 B6R0.2 CC(=CC(=O)C)O E302901 [0,1,0,0,0,0|1,0,1]=3 489 B6R0.2 CC(=CC(=O)C)O E347622 [0,1,0,0,0,0|1,0,1]=3 490 B6R0.2 CC(=CC(=O)C)O G304265 [0,1,0,0,0,0|1,0,1]=3 491 B6R0.2 CC(=CC(=O)C)O H107857 [0,1,0,0,0,0|1,0,1]=3 492 B6R0.2 CC(=CC(=O)C)O I138305 [0,1,0,0,0,0|1,0,1]=3 493 B6R0.2 CC(=CC(=O)C)O I294571 [0,1,0,0,0,0|1,0,1]=3 494 B6R0.2 CC(=CC(=O)C)O M106182 [0,1,0,0,0,0|1,0,1]=3 495 B6R0.2 CC(=CC(=O)C)O P101065 [0,1,0,0,0,0|1,0,1]=3 496 B6R0.2 CC(=CC(=O)C)O P119025 [0,1,0,0,0,0|1,0,1]=3 497 B6R0.2 CC(=CC(=O)C)O P119026 [0,1,0,0,0,0|1,0,1]=3 498 B6R0.2 CC(=CC(=O)C)O P293928 [0,1,0,0,0,0|1,0,1]=3 499 B6R0.2 CC(=CC(=O)C)O R118502 [0,1,0,0,0,0|1,0,1]=3 500 B6R0.2 CC(=CC(=O)C)O R118539 [0,1,0,0,0,0|1,0,1]=3 501 B6R0.2 CC(=CC(=O)C)O R118540 [0,1,0,0,0,0|1,0,1]=3 502 B6R0.2 CC(=CC(=O)C)O R294372 [0,1,0,0,0,0|1,0,1]=3 503 B6R0.2 CC(=CC(=O)C)O R639975 [0,1,0,0,0,0|1,0,1]=3 504 B6R0.2 CC(=CC(=O)C)O S298504 [0,1,0,0,0,0|1,0,1]=3 505 B6R0.2 CC(=CC(=O)C)O T283063 [0,1,0,0,0,0|1,0,1]=3 506 B6R0.2 CC(=CC(=O)C)O T302818 [0,1,0,0,0,0|1,0,1]=3 507 B6R0.2 CC(=CC(=O)C)O T302908 [0,1,0,0,0,0|1,0,1]=3 508 B6R0.2 CC(=CC(=O)C)O V109324 [0,1,0,0,0,0|1,0,1]=3 509 B6R0.2 CC(=CC(=O)C)O V109325 [0,1,0,0,0,0|1,0,1]=3 510 B6R0.2 CC(=CC(=O)C)O Y191992 [0,1,0,0,0,0|1,0,1]=3 511 B6R0.2 CC(=CC(=O)C)O Y283039 [0,1,0,0,0,0|1,0,1]=3 512 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,1,0,0,0,0|1,0,1]=3 513 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,1,0,0,0,0|1,0,1]=3 514 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,1,0,0,0,0|1,0,1]=3 515 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,1,0,0,0,0|1,0,1]=3 516 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,1,0,0,0,0|1,0,1]=3 517 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,1,0,0,0,0|1,0,1]=3 518 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,1,0,0,0,0|1,0,1]=3 519 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,1,0,0,0,0|1,0,1]=3 520 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,1,0,0,0,0|1,0,1]=3 521 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,1,0,0,0,0|1,0,1]=3 522 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,1,0,0,0,0|1,0,1]=3 523 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,1,0,0,0,0|1,0,1]=3 524 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,1,0,0,0,0|1,0,1]=3 525 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,1,0,0,0,0|1,0,1]=3 526 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,1,0,0,0,0|1,0,1]=3 527 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,1,0,0,0,0|1,0,1]=3 528 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,1,0,0,0,0|1,0,1]=3 529 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,1,0,0,0,0|1,0,1]=3 530 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,1,0,0,0,0|1,0,1]=3 531 B6R0.2 CC(=CC(=O)Cl)C D135082 [0,1,0,0,0,0|2,0,1]=4 532 B6R0.2 CC(=CC(=O)O)C D102028 [0,1,0,0,0,0|2,0,1]=4 533 B6R0.2 CC(=O)CC(=O)C A110366 [0,1,0,0,0,0|1,0,1]=3 534 B6R0.2 CC(=O)CC(=O)C A110367 [0,1,0,0,0,0|1,0,1]=3 535 B6R0.2 CC(=O)CC(=O)C A110370 [0,1,0,0,0,0|1,0,1]=3 536 B6R0.2 CC(=O)CC(=O)N A194123 [0,1,0,0,0,0|2,0,0]=3 537 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,1,0,0,0,0|2,0,0]=3 538 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,1,0,0,0,0|2,0,0]=3 539 B6R0.2 CC(=O)CN(C)C D167514 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.2 CC(=O)N=C(N)N A134062 [0,1,0,0,0,0|2,0,0]=3 541 B6R0.2 CC(=O)NC(=O)N A114125 [0,1,0,0,0,0|2,0,0]=3 542 B6R0.2 CC(=O)NC(=S)N A151428 [0,1,0,0,0,0|2,0,0]=3 543 B6R0.2 CC(=O)OC(=O)C A302240 [0,1,0,0,0,0|0,0,1]=2 544 B6R0.2 CC(=O)OC(=O)C A474130 [0,1,0,0,0,0|0,0,1]=2 545 B6R0.2 CC(=O)SC(=O)C A151355 [0,1,0,0,0,0|0,1,1]=3 546 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,1,0,0,0,0|1,0,1]=3 547 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,1,0,0,0,0|1,0,1]=3 548 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [0,1,0,0,0,0|1,0,2]=4 549 B6R0.2 CC(C)CC(=O)C M108736 [0,1,0,0,0,0|1,0,2]=4 550 B6R0.2 CC(C)CC(=O)C M108737 [0,1,0,0,0,0|1,0,2]=4 551 B6R0.2 CC(C)CC(=O)C M108738 [0,1,0,0,0,0|1,0,2]=4 552 B6R0.2 CC(C)CC(=O)C M108740 [0,1,0,0,0,0|1,0,2]=4 553 B6R0.2 CC(C)CC(=O)C M108741 [0,1,0,0,0,0|1,0,2]=4 554 B6R0.2 CC(C)CC(=O)C M492092 [0,1,0,0,0,0|1,0,2]=4 555 B6R0.2 CC(C)NC(=O)C N586389 [0,1,0,0,0,0|1,0,2]=4 556 B6R0.2 CC(C)OC(=O)C I103453 [0,1,0,0,0,0|0,0,2]=3 557 B6R0.2 CC(C)OC(=O)C I103454 [0,1,0,0,0,0|0,0,2]=3 558 B6R0.2 CC(C)OC(=O)C I103455 [0,1,0,0,0,0|0,0,2]=3 559 B6R0.2 CC(C)OC(=O)N I157610 [0,1,0,0,0,0|1,0,2]=4 560 B6R0.2 CC(C)OC(=S)[S-] P160342 [0,1,0,0,0,0|2,0,1]=4 561 B6R0.2 CC(OC(=O)C)Br B303662 [0,1,0,0,0,0|0,0,2]=3 562 B6R0.2 CC(OC(=O)Cl)Cl C100655 [0,1,0,0,0,0|1,0,2]=4 563 B6R0.3 CC(=NO)C(=O)C D111028 [0,1,0,0,0,0|3,0,0]=4 564 B6R0.3 CC(=NO)C(=O)C D111029 [0,1,0,0,0,0|3,0,0]=4 565 B6R0.3 CC(=O)C(=O)CBr B185016 [0,1,0,0,0,0|2,0,1]=4 566 B6R0.3 CC(=O)C(=O)OC M136953 [0,1,0,0,0,0|2,0,1]=4 567 B6R0.3 CC(=O)N(C)C=C N124471 [0,1,0,0,0,0|1,0,0]=2 568 B6R0.3 CC(=O)N(C)OC N159405 [0,1,0,0,0,0|2,0,1]=4 569 B6R0.3 CC(C=C)C(=O)O M404731 [0,1,0,0,0,0|2,0,0]=3 570 B6R0.3 CC=C(C)C(=O)C M158812 [0,1,0,0,0,0|1,0,1]=3 571 B6R0.3 CC=C(C)C(=O)C M401547 [0,1,0,0,0,0|1,0,1]=3 572 B6R0.3 CC=C(C)C(=O)Cl T161611 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.3 CC=C(C)C(=O)O B137277 [0,1,0,0,0,0|2,0,1]=4 574 B6R0.3 CC=C(C)C(=O)O T107164 [0,1,0,0,0,0|2,0,1]=4 575 B6R0.3 CCC(=O)C(=O)C P106293 [0,1,0,0,0,0|1,0,2]=4 576 B6R0.3 CCC(C(=O)C)S M102973 [0,1,0,0,0,0|1,0,2]=4 577 B6R0.3 CCC(C)C(=O)C M158800 [0,1,0,0,0,0|1,0,2]=4 578 B6R0.3 CCN(C)C(=O)C N193140 [0,1,0,0,0,0|1,0,2]=4 579 B6R0.3 CN(C)C(=O)C=C N159036 [0,1,0,0,0,0|3,0,0]=4 580 B6R0.4 C#CCOC(=O)Cl P468141 [0,1,0,0,0,0|1,0,2]=4 581 B6R0.4 C(C(=O)O)NC=O N159822 [0,1,0,0,0,0|3,0,0]=4 582 B6R0.4 C(C=CC(=O)O)Br B152770 [0,1,0,0,0,0|2,0,1]=4 583 B6R0.4 C(C=CC(=O)O)O T341890 [0,1,0,0,0,0|2,0,1]=4 584 B6R0.4 C(CCl)OC(=O)Cl C136442 [0,1,0,0,0,0|1,0,2]=4 585 B6R0.4 C=CCCC(=O)Cl P278805 [0,1,0,0,0,0|2,0,0]=3 586 B6R0.4 C=CCCC(=O)O P160582 [0,1,0,0,0,0|2,0,0]=3 587 B6R0.4 C=CCNC(=O)N A151231 [0,1,0,0,0,0|2,0,0]=3 588 B6R0.4 C=CCNC(=S)N A105959 [0,1,0,0,0,0|2,1,0]=4 589 B6R0.4 C=CCOC(=O)N A467193 [0,1,0,0,0,0|1,0,0]=2 590 B6R0.4 CC(=O)C=COC M113467 [0,1,0,0,0,0|1,0,1]=3 591 B6R0.4 CC(=O)C=COC M434875 [0,1,0,0,0,0|1,0,1]=3 592 B6R0.4 CC(=O)CCC=C H113634 [0,1,0,0,0,0|1,0,0]=2 593 B6R0.4 CC(=O)CCCBr B345087 [0,1,0,0,0,0|1,0,2]=4 594 B6R0.4 CC(=O)CCCCl C108070 [0,1,0,0,0,0|1,0,2]=4 595 B6R0.4 CC(=O)CCSC M135087 [0,1,0,0,0,0|1,0,2]=4 596 B6R0.4 CC(=O)NCC#N I170553 [0,1,0,0,0,0|1,0,2]=4 597 B6R0.4 CC(=O)NCCN A117219 [0,1,0,0,0,0|1,0,2]=4 598 B6R0.4 CC(=O)NCCO A112970 [0,1,0,0,0,0|1,0,2]=4 599 B6R0.4 CC(=O)NCCO A112971 [0,1,0,0,0,0|1,0,2]=4 600 B6R0.4 CC(=O)NCCS N347842 [0,1,0,0,0,0|1,0,2]=4 601 B6R0.4 CC(=O)OCC#C P304196 [0,1,0,0,0,0|0,0,2]=3 602 B6R0.4 CC(=O)OCC=C A107305 [0,1,0,0,0,0|0,0,0]=1 603 B6R0.4 CC(=O)OCCBr B102635 [0,1,0,0,0,0|0,0,2]=3 604 B6R0.4 CC(=O)OCCCl A140396 [0,1,0,0,0,0|0,0,2]=3 605 B6R0.4 CC(=O)OCCN A588049 [0,1,0,0,0,0|0,0,2]=3 606 B6R0.4 CC(=O)OCCO H156959 [0,1,0,0,0,0|0,0,2]=3 607 B6R0.4 CC(=O)SCCN T340735 [0,1,0,0,0,0|0,1,2]=4 608 B6R0.4 CC(C)COC=C I109049 [0,1,0,0,0,0|1,0,1]=3 609 B6R0.4 CC(C)COC=C I109050 [0,1,0,0,0,0|1,0,1]=3 610 B6R0.4 CC(C)COC=O I141415 [0,1,0,0,0,0|2,0,1]=4 611 B6R0.4 CC(C)COC=O I432878 [0,1,0,0,0,0|2,0,1]=4 612 B6R0.4 CC(C)NCC=C N339371 [0,1,0,0,0,0|2,0,1]=4 613 B6R0.4 CC=CCC(=O)O P165142 [0,1,0,0,0,0|2,0,0]=3 614 B6R0.4 CC=NNC(=O)N A151236 [0,1,0,0,0,0|2,0,1]=4 615 B6R0.4 CCC=CC(=O)O T162309 [0,1,0,0,0,0|2,0,1]=4 616 B6R0.4 CCCCC(=O)C H105743 [0,1,0,0,0,0|1,0,2]=4 617 B6R0.4 CCCCC(=O)C H105744 [0,1,0,0,0,0|1,0,2]=4 618 B6R0.4 CCCCC(=O)C H111491 [0,1,0,0,0,0|1,0,2]=4 619 B6R0.4 CCCCC(=O)C H141140 [0,1,0,0,0,0|1,0,2]=4 620 B6R0.4 CCCOC(=O)C P103882 [0,1,0,0,0,0|0,0,2]=3 621 B6R0.4 CCCOC(=O)C P103883 [0,1,0,0,0,0|0,0,2]=3 622 B6R0.4 CCCOC(=O)N P194271 [0,1,0,0,0,0|1,0,2]=4 623 B6R0.4 CCCSC(=O)C S161333 [0,1,0,0,0,0|0,1,2]=4 624 B6R0.4 CCOCC(=O)Cl E293992 [0,1,0,0,0,0|1,0,2]=4 625 B6R0.4 CCOCC(=O)O E156174 [0,1,0,0,0,0|1,0,2]=4 626 B6R0.4 CN(C)C=CC=O D139445 [0,1,0,0,0,0|3,0,0]=4 627 B6R0.5 C=CCS(=O)(=O)N P587536 [0,1,0,0,0,0|3,0,0]=4 628 B6R0.5 C=CCS(=O)(=O)[O-] S121961 [0,1,0,0,0,0|3,0,0]=4 629 B6R0.5 C=COS(=O)(=O)[O-] P111209 [0,1,0,0,0,0|2,0,0]=3 630 B6R0.5 C=COS(=O)(=O)[O-] P406559 [0,1,0,0,0,0|2,0,0]=3 631 B6R0.5 CC(C)(C)OC=C T139444 [0,1,0,0,0,0|1,0,1]=3 632 B6R0.5 CC(C)(C)OC=O T341498 [0,1,0,0,0,0|2,0,1]=4 633 B6R0.5 CCOS(=O)(=O)C E103933 [0,1,0,0,0,0|1,0,2]=4 634 B6R0.5 CS(=O)(=O)CC=C A468089 [0,1,0,0,0,0|2,0,0]=3 635 B6R0.5 C[N+](C)(C)CC=C A191081 [0,1,0,0,0,0|3,0,0]=4 636 B6R0.5 C[Si](C)(C)CC=C A107288 [0,1,0,0,0,0|2,1,0]=4 637 B6R0.5 C[Si](C)(C)OC=C T161744 [0,1,0,0,0,0|1,1,0]=3 638 B6R0.5 C[Si](C)(CC=C)Cl A151246 [0,1,0,0,0,0|2,1,0]=4 639 B6R0.5 C[Si](CC=C)(Cl)Cl A332846 [0,1,0,0,0,0|2,1,0]=4 640 B6R1.2 C1=C(ON=C1)N I587306 [0,0,0,1,0,0|2,0,1]=4 641 B6R1.2 C1=CN=C(N1)Br B123024 [0,0,0,1,0,0|3,0,0]=4 642 B6R1.2 C1=CN=C(N1)Cl C153688 [0,0,0,1,0,0|3,0,0]=4 643 B6R1.2 C1=CN=C(N1)I I169417 [0,0,0,1,0,0|3,0,0]=4 644 B6R1.2 C1=CN=C(N1)N A129107 [0,0,0,1,0,0|3,0,0]=4 645 B6R1.2 C1=CN=C(N1)N H186542 [0,0,0,1,0,0|3,0,0]=4 646 B6R1.2 C1=CNC(=S)N1 M134875 [0,0,0,1,0,0|2,1,0]=4 647 B6R1.2 C1=CNNC1=O H173741 [0,0,0,1,0,0|2,0,1]=4 648 B6R1.2 C1=COC(=C1)Br B152379 [0,0,0,1,0,0|1,0,1]=3 649 B6R1.2 C1=COC(=N1)Br B586790 [0,0,0,1,0,0|2,0,0]=3 650 B6R1.2 C1=COC(=N1)N A122648 [0,0,0,1,0,0|2,0,0]=3 651 B6R1.2 C1=COC(=O)O1 V107163 [0,0,0,1,0,0|1,0,0]=2 652 B6R1.2 C1=COC(=O)O1 V359322 [0,0,0,1,0,0|1,0,0]=2 653 B6R1.2 C1=COC(=O)O1 V399512 [0,0,0,1,0,0|1,0,0]=2 654 B6R1.2 C1=CSC(=C1)Br B107006 [0,0,0,1,0,0|1,1,1]=4 655 B6R1.2 C1=CSC(=C1)Cl C106575 [0,0,0,1,0,0|1,1,1]=4 656 B6R1.2 C1=CSC(=C1)I I107041 [0,0,0,1,0,0|1,1,1]=4 657 B6R1.2 C1=CSC(=C1)S T100899 [0,0,0,1,0,0|0,2,1]=4 658 B6R1.2 C1=CSC(=N1)Br B123649 [0,0,0,1,0,0|2,1,0]=4 659 B6R1.2 C1=CSC(=N1)Cl C121869 [0,0,0,1,0,0|2,1,0]=4 660 B6R1.2 C1=CSC(=N1)N A104872 [0,0,0,1,0,0|2,1,0]=4 661 B6R1.2 C1=CSC(=N1)N A418731 [0,0,0,1,0,0|2,1,0]=4 662 B6R1.2 C1=CSC(=N1)N A418786 [0,0,0,1,0,0|2,1,0]=4 663 B6R1.2 C1=CSC(=S)N1 M136894 [0,0,0,1,0,0|1,2,0]=4 664 B6R1.2 C1=NNC(=O)N1 T188359 [0,0,0,1,0,0|3,0,0]=4 665 B6R1.2 C1C=CC(=O)N1 D344952 [0,0,0,1,0,0|1,0,2]=4 666 B6R1.2 C1C=CC(=O)O1 F107943 [0,0,0,1,0,0|0,0,2]=3 667 B6R1.2 C1C=CC(=O)S1 H472400 [0,0,0,1,0,0|0,1,2]=4 668 B6R1.2 C1C=CCC1O C141167 [0,0,0,1,0,0|1,0,2]=4 669 B6R1.2 C1C=NNC1=O H190747 [0,0,0,1,0,0|2,0,0]=3 670 B6R1.2 C1CC(=O)C=C1 C139450 [0,0,0,1,0,0|1,0,1]=3 671 B6R1.2 C1CC(=O)NC1 P112692 [0,0,0,1,0,0|1,0,2]=4 672 B6R1.2 C1CC(=O)NC1 P468968 [0,0,0,1,0,0|1,0,2]=4 673 B6R1.2 C1CC(=O)SC1 T472178 [0,0,0,1,0,0|0,1,2]=4 674 B6R1.2 C1CCC(=O)C1 C108566 [0,0,0,1,0,0|1,0,2]=4 675 B6R1.2 C1CCC(=O)C1 C108567 [0,0,0,1,0,0|1,0,2]=4 676 B6R1.2 C1CCC(=O)C1 C108568 [0,0,0,1,0,0|1,0,2]=4 677 B6R1.2 C1CCC(=O)C1 C108569 [0,0,0,1,0,0|1,0,2]=4 678 B6R1.2 C1CNCC1=O P176320 [0,0,0,1,0,0|2,0,1]=4 679 B6R1.2 C1COC(=O)N1 O133460 [0,0,0,1,0,0|1,0,2]=4 680 B6R1.2 C1COC(=O)O1 E105727 [0,0,0,1,0,0|1,0,2]=4 681 B6R1.2 C1COC(=O)O1 E105728 [0,0,0,1,0,0|1,0,2]=4 682 B6R1.2 C1COCC1=O T161567 [0,0,0,1,0,0|2,0,1]=4 683 B6R1.2 C1CSCC1=O D106839 [0,0,0,1,0,0|2,0,1]=4 684 B6R1.2 CC1=CC=CN1 M185725 [0,0,0,1,0,0|2,0,0]=3 685 B6R1.2 CC1=CC=CO1 M110932 [0,0,0,1,0,0|1,0,0]=2 686 B6R1.2 CC1=CC=CS1 M109554 [0,0,0,1,0,0|1,1,0]=3 687 B6R1.2 CC1=CC=NN1 M108005 [0,0,0,1,0,0|3,0,0]=4 688 B6R1.2 CC1=CC=NO1 M158646 [0,0,0,1,0,0|2,0,0]=3 689 B6R1.2 CC1=CN=CN1 M112296 [0,0,0,1,0,0|3,0,0]=4 690 B6R1.2 CC1=CN=CS1 M124661 [0,0,0,1,0,0|2,1,0]=4 691 B6R1.2 CC1=CNC=C1 M139090 [0,0,0,1,0,0|3,0,0]=4 692 B6R1.2 CC1=COC=C1 M158541 [0,0,0,1,0,0|3,0,0]=4 693 B6R1.2 CC1=CSC=C1 M113676 [0,0,0,1,0,0|3,0,0]=4 694 B6R1.2 CC1=CSC=N1 M103108 [0,0,0,1,0,0|3,0,0]=4 695 B6R1.2 CC1=NC=CN1 M104839 [0,0,0,1,0,0|2,0,0]=3 696 B6R1.2 CC1=NC=CS1 M299351 [0,0,0,1,0,0|1,1,0]=3 697 B6R1.2 CC1=NC=C[N-]1 Z282555 [0,0,0,1,0,0|2,0,0]=3 698 B6R1.2 CC1=NC=NN1 M177267 [0,0,0,1,0,0|3,0,0]=4 699 B6R1.2 CC1=NCCO1 M158497 [0,0,0,1,0,0|1,0,2]=4 700 B6R1.2 CN1C=CC=C1 M100701 [0,0,0,1,0,0|3,0,0]=4 701 B6R1.2 CN1C=CC=N1 M107967 [0,0,0,1,0,0|3,0,0]=4 702 B6R1.5 CC1CC(=O)O1 B152852 [0,0,0,1,0,0|0,0,2]=3 703 B6R1.11 CC(=O)C1CC1 C108050 [0,0,0,1,0,0|1,0,2]=4 704 B3R0.1 C(=C/Cl)/Cl C470392 [2,0,0,0,0,0|2,0,0]=4 705 B3R0.1 C(=C/Cl)/Cl D119830 [2,0,0,0,0,0|2,0,0]=4 706 B3R0.1 C(=CBr)Br D154476 [2,0,0,0,0,0|2,0,0]=4 707 B3R0.1 C(=CCl)Cl D106417 [2,0,0,0,0,0|2,0,0]=4 708 B3R0.1 C(=CCl)Cl D106418 [2,0,0,0,0,0|2,0,0]=4 709 B3R0.1 C(=CCl)Cl D106419 [2,0,0,0,0,0|2,0,0]=4 710 B3R0.1 C(=CCl)Cl D119827 [2,0,0,0,0,0|2,0,0]=4 711 B3R0.1 C(=CCl)Cl D128118 [2,0,0,0,0,0|2,0,0]=4 712 B3R0.1 C(=CCl)Cl D294828 [2,0,0,0,0,0|2,0,0]=4 713 B3R0.1 C(=CCl)Cl D303936 [2,0,0,0,0,0|2,0,0]=4 714 B3R0.1 C(=CCl)Cl T278880 [2,0,0,0,0,0|2,0,0]=4 715 B3R0.1 C(=O)C=O G103129 [2,0,0,0,0,0|1,0,0]=3 716 B3R0.1 C(=O)C=O G103130 [2,0,0,0,0,0|1,0,0]=3 717 B3R0.1 C(=O)C=O G299082 [2,0,0,0,0,0|1,0,0]=3 718 B3R0.1 C(=O)NN F109757 [2,0,0,0,0,0|2,0,0]=4 719 B3R0.1 C=CC#N A299303 [2,0,0,0,0,0|1,0,1]=4 720 B3R0.1 C=CC#N A431344 [2,0,0,0,0,0|1,0,1]=4 721 B3R0.1 C=CC#N P303197 [2,0,0,0,0,0|1,0,1]=4 722 B3R0.1 C=CC#N P303199 [2,0,0,0,0,0|1,0,1]=4 723 B3R0.1 C=CC#N P303200 [2,0,0,0,0,0|1,0,1]=4 724 B3R0.1 C=CC=C P476125 [2,0,0,0,0,0|0,0,1]=3 725 B3R0.1 C=CC=C P478063 [2,0,0,0,0,0|0,0,1]=3 726 B3R0.1 C=CC=C P478297 [2,0,0,0,0,0|0,0,1]=3 727 B3R0.1 C=CC=O A112346 [2,0,0,0,0,0|0,0,0]=2 728 B3R0.1 C=CCBr A108658 [2,0,0,0,0,0|1,0,1]=4 729 B3R0.1 C=CCCl A103820 [2,0,0,0,0,0|1,0,1]=4 730 B3R0.1 C=CCCl A103821 [2,0,0,0,0,0|1,0,1]=4 731 B3R0.1 C=CCCl A103822 [2,0,0,0,0,0|1,0,1]=4 732 B3R0.1 C=CCCl A141152 [2,0,0,0,0,0|1,0,1]=4 733 B3R0.1 C=CCI A109401 [2,0,0,0,0,0|1,0,1]=4 734 B3R0.1 C=CCN A123283 [2,0,0,0,0,0|1,0,1]=4 735 B3R0.1 C=CCN P194734 [2,0,0,0,0,0|1,0,1]=4 736 B3R0.1 C=CCN P432587 [2,0,0,0,0,0|1,0,1]=4 737 B3R0.1 C=CCN P433384 [2,0,0,0,0,0|1,0,1]=4 738 B3R0.1 C=CCN P433385 [2,0,0,0,0,0|1,0,1]=4 739 B3R0.1 CC=CBr B120309 [2,0,0,0,0,0|1,0,0]=3 740 B3R0.1 CC=CBr B151977 [2,0,0,0,0,0|1,0,0]=3 741 B3R0.1 CC=NO A108687 [2,0,0,0,0,0|2,0,0]=4 742 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,0,2]=4 743 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,0,2]=4 744 B3R0.1 CCON E135458 [2,0,0,0,0,0|1,0,1]=4 745 B3R0.1 CNC=O M107591 [2,0,0,0,0,0|1,0,1]=4 746 B3R0.1 CNOC D123576 [2,0,0,0,0,0|1,0,1]=4 747 B3R0.1 COC=C P304875 [2,0,0,0,0,0|0,0,0]=2 748 B3R0.1 COCBr B138143 [2,0,0,0,0,0|1,0,1]=4 749 B3R0.2 B(C)(O)O M120271 [2,0,0,0,0,0|1,0,1]=4 750 B3R0.2 C(=O)(N)N H106855 [2,0,0,0,0,0|2,0,0]=4 751 B3R0.2 C(=O)(N)N U101479 [2,0,0,0,0,0|2,0,0]=4 752 B3R0.2 C(=O)(N)N U101481 [2,0,0,0,0,0|2,0,0]=4 753 B3R0.2 C(=O)(N)N U111897 [2,0,0,0,0,0|2,0,0]=4 754 B3R0.2 C(=O)(N)N U111898 [2,0,0,0,0,0|2,0,0]=4 755 B3R0.2 C(=O)(N)N U111899 [2,0,0,0,0,0|2,0,0]=4 756 B3R0.2 C(=O)(N)N U111901 [2,0,0,0,0,0|2,0,0]=4 757 B3R0.2 C(=O)(N)N U111902 [2,0,0,0,0,0|2,0,0]=4 758 B3R0.2 C(=O)(N)N U111903 [2,0,0,0,0,0|2,0,0]=4 759 B3R0.2 C(=O)(N)N U111904 [2,0,0,0,0,0|2,0,0]=4 760 B3R0.2 C(=O)(N)N U119692 [2,0,0,0,0,0|2,0,0]=4 761 B3R0.2 C(=O)(N)N U141075 [2,0,0,0,0,0|2,0,0]=4 762 B3R0.2 C(=O)(N)N U304906 [2,0,0,0,0,0|2,0,0]=4 763 B3R0.2 C(=O)(N)N U424822 [2,0,0,0,0,0|2,0,0]=4 764 B3R0.2 C(=O)(N)N U471932 [2,0,0,0,0,0|2,0,0]=4 765 B3R0.2 C(=O)(N)N U491109 [2,0,0,0,0,0|2,0,0]=4 766 B3R0.2 C(=O)(N)[O-] A113918 [2,0,0,0,0,0|1,0,1]=4 767 B3R0.2 C(=O)(O)[O-] A110536 [2,0,0,0,0,0|1,0,0]=3 768 B3R0.2 C(=O)(O)[O-] A110537 [2,0,0,0,0,0|1,0,0]=3 769 B3R0.2 C(=O)(O)[O-] A431332 [2,0,0,0,0,0|1,0,0]=3 770 B3R0.2 C(=O)(O)[O-] A431333 [2,0,0,0,0,0|1,0,0]=3 771 B3R0.2 C(=O)(O)[O-] C303357 [2,0,0,0,0,0|1,0,0]=3 772 B3R0.2 C(=O)(O)[O-] P110485 [2,0,0,0,0,0|1,0,0]=3 773 B3R0.2 C(=O)(O)[O-] P110487 [2,0,0,0,0,0|1,0,0]=3 774 B3R0.2 C(=O)(O)[O-] P118601 [2,0,0,0,0,0|1,0,0]=3 775 B3R0.2 C(=O)(O)[O-] P639954 [2,0,0,0,0,0|1,0,0]=3 776 B3R0.2 C(=O)(O)[O-] S112331 [2,0,0,0,0,0|1,0,0]=3 777 B3R0.2 C(=O)(O)[O-] S112334 [2,0,0,0,0,0|1,0,0]=3 778 B3R0.2 C(=O)(O)[O-] S112335 [2,0,0,0,0,0|1,0,0]=3 779 B3R0.2 C(=O)(O)[O-] S112337 [2,0,0,0,0,0|1,0,0]=3 780 B3R0.2 C(=O)(O)[O-] S112338 [2,0,0,0,0,0|1,0,0]=3 781 B3R0.2 C(=O)(O)[O-] S112339 [2,0,0,0,0,0|1,0,0]=3 782 B3R0.2 C(=O)(O)[O-] S118660 [2,0,0,0,0,0|1,0,0]=3 783 B3R0.2 C(=O)(O)[O-] S331496 [2,0,0,0,0,0|1,0,0]=3 784 B3R0.2 C(=O)(O)[O-] S401669 [2,0,0,0,0,0|1,0,0]=3 785 B3R0.2 C(=O)(O)[O-] S432108 [2,0,0,0,0,0|1,0,0]=3 786 B3R0.2 C(=O)(O)[O-] S432109 [2,0,0,0,0,0|1,0,0]=3 787 B3R0.2 C(=O)(O)[O-] S432111 [2,0,0,0,0,0|1,0,0]=3 788 B3R0.2 C(=O)(O)[O-] S604571 [2,0,0,0,0,0|1,0,0]=3 789 B3R0.2 C(=O)(O)[O-] S639888 [2,0,0,0,0,0|1,0,0]=3 790 B3R0.2 C(=O)(O)[O-] T290608 [2,0,0,0,0,0|1,0,0]=3 791 B3R0.2 C(=O)(O)[O-] Z113329 [2,0,0,0,0,0|1,0,0]=3 792 B3R0.2 C(=O)([O-])[O-] A110371 [2,0,0,0,0,0|1,0,1]=4 793 B3R0.2 C(=O)([O-])[O-] A110373 [2,0,0,0,0,0|1,0,1]=4 794 B3R0.2 C(=O)([O-])[O-] A118825 [2,0,0,0,0,0|1,0,1]=4 795 B3R0.2 C(=O)([O-])[O-] A291926 [2,0,0,0,0,0|1,0,1]=4 796 B3R0.2 C(=O)([O-])[O-] A432782 [2,0,0,0,0,0|1,0,1]=4 797 B3R0.2 C(=O)([O-])[O-] A485838 [2,0,0,0,0,0|1,0,1]=4 798 B3R0.2 C(=O)([O-])[O-] B112362 [2,0,0,0,0,0|1,0,1]=4 799 B3R0.2 C(=O)([O-])[O-] B112363 [2,0,0,0,0,0|1,0,1]=4 800 B3R0.2 C(=O)([O-])[O-] B112364 [2,0,0,0,0,0|1,0,1]=4 801 B3R0.2 C(=O)([O-])[O-] B112365 [2,0,0,0,0,0|1,0,1]=4 802 B3R0.2 C(=O)([O-])[O-] B112366 [2,0,0,0,0,0|1,0,1]=4 803 B3R0.2 C(=O)([O-])[O-] B112367 [2,0,0,0,0,0|1,0,1]=4 804 B3R0.2 C(=O)([O-])[O-] B117838 [2,0,0,0,0,0|1,0,1]=4 805 B3R0.2 C(=O)([O-])[O-] B139811 [2,0,0,0,0,0|1,0,1]=4 806 B3R0.2 C(=O)([O-])[O-] C100153 [2,0,0,0,0,0|1,0,1]=4 807 B3R0.2 C(=O)([O-])[O-] C100155 [2,0,0,0,0,0|1,0,1]=4 808 B3R0.2 C(=O)([O-])[O-] C102101 [2,0,0,0,0,0|1,0,1]=4 809 B3R0.2 C(=O)([O-])[O-] C102102 [2,0,0,0,0,0|1,0,1]=4 810 B3R0.2 C(=O)([O-])[O-] C105060 [2,0,0,0,0,0|1,0,1]=4 811 B3R0.2 C(=O)([O-])[O-] C105061 [2,0,0,0,0,0|1,0,1]=4 812 B3R0.2 C(=O)([O-])[O-] C105063 [2,0,0,0,0,0|1,0,1]=4 813 B3R0.2 C(=O)([O-])[O-] C105380 [2,0,0,0,0,0|1,0,1]=4 814 B3R0.2 C(=O)([O-])[O-] C111980 [2,0,0,0,0,0|1,0,1]=4 815 B3R0.2 C(=O)([O-])[O-] C111984 [2,0,0,0,0,0|1,0,1]=4 816 B3R0.2 C(=O)([O-])[O-] C111985 [2,0,0,0,0,0|1,0,1]=4 817 B3R0.2 C(=O)([O-])[O-] C111986 [2,0,0,0,0,0|1,0,1]=4 818 B3R0.2 C(=O)([O-])[O-] C111987 [2,0,0,0,0,0|1,0,1]=4 819 B3R0.2 C(=O)([O-])[O-] C111988 [2,0,0,0,0,0|1,0,1]=4 820 B3R0.2 C(=O)([O-])[O-] C118654 [2,0,0,0,0,0|1,0,1]=4 821 B3R0.2 C(=O)([O-])[O-] C118705 [2,0,0,0,0,0|1,0,1]=4 822 B3R0.2 C(=O)([O-])[O-] C141292 [2,0,0,0,0,0|1,0,1]=4 823 B3R0.2 C(=O)([O-])[O-] C193679 [2,0,0,0,0,0|1,0,1]=4 824 B3R0.2 C(=O)([O-])[O-] C301706 [2,0,0,0,0,0|1,0,1]=4 825 B3R0.2 C(=O)([O-])[O-] C301707 [2,0,0,0,0,0|1,0,1]=4 826 B3R0.2 C(=O)([O-])[O-] C301708 [2,0,0,0,0,0|1,0,1]=4 827 B3R0.2 C(=O)([O-])[O-] C301709 [2,0,0,0,0,0|1,0,1]=4 828 B3R0.2 C(=O)([O-])[O-] C341739 [2,0,0,0,0,0|1,0,1]=4 829 B3R0.2 C(=O)([O-])[O-] C432741 [2,0,0,0,0,0|1,0,1]=4 830 B3R0.2 C(=O)([O-])[O-] C432743 [2,0,0,0,0,0|1,0,1]=4 831 B3R0.2 C(=O)([O-])[O-] C432744 [2,0,0,0,0,0|1,0,1]=4 832 B3R0.2 C(=O)([O-])[O-] D303484 [2,0,0,0,0,0|1,0,1]=4 833 B3R0.2 C(=O)([O-])[O-] D340770 [2,0,0,0,0,0|1,0,1]=4 834 B3R0.2 C(=O)([O-])[O-] E112966 [2,0,0,0,0,0|1,0,1]=4 835 B3R0.2 C(=O)([O-])[O-] E304793 [2,0,0,0,0,0|1,0,1]=4 836 B3R0.2 C(=O)([O-])[O-] F302419 [2,0,0,0,0,0|1,0,1]=4 837 B3R0.2 C(=O)([O-])[O-] G349487 [2,0,0,0,0,0|1,0,1]=4 838 B3R0.2 C(=O)([O-])[O-] H302201 [2,0,0,0,0,0|1,0,1]=4 839 B3R0.2 C(=O)([O-])[O-] L101679 [2,0,0,0,0,0|1,0,1]=4 840 B3R0.2 C(=O)([O-])[O-] L101681 [2,0,0,0,0,0|1,0,1]=4 841 B3R0.2 C(=O)([O-])[O-] L101684 [2,0,0,0,0,0|1,0,1]=4 842 B3R0.2 C(=O)([O-])[O-] L101685 [2,0,0,0,0,0|1,0,1]=4 843 B3R0.2 C(=O)([O-])[O-] L105143 [2,0,0,0,0,0|1,0,1]=4 844 B3R0.2 C(=O)([O-])[O-] L105146 [2,0,0,0,0,0|1,0,1]=4 845 B3R0.2 C(=O)([O-])[O-] L118639 [2,0,0,0,0,0|1,0,1]=4 846 B3R0.2 C(=O)([O-])[O-] L196236 [2,0,0,0,0,0|1,0,1]=4 847 B3R0.2 C(=O)([O-])[O-] L424716 [2,0,0,0,0,0|1,0,1]=4 848 B3R0.2 C(=O)([O-])[O-] L616481 [2,0,0,0,0,0|1,0,1]=4 849 B3R0.2 C(=O)([O-])[O-] L616497 [2,0,0,0,0,0|1,0,1]=4 850 B3R0.2 C(=O)([O-])[O-] M111694 [2,0,0,0,0,0|1,0,1]=4 851 B3R0.2 C(=O)([O-])[O-] M111695 [2,0,0,0,0,0|1,0,1]=4 852 B3R0.2 C(=O)([O-])[O-] M141071 [2,0,0,0,0,0|1,0,1]=4 853 B3R0.2 C(=O)([O-])[O-] M303145 [2,0,0,0,0,0|1,0,1]=4 854 B3R0.2 C(=O)([O-])[O-] M466608 [2,0,0,0,0,0|1,0,1]=4 855 B3R0.2 C(=O)([O-])[O-] P111556 [2,0,0,0,0,0|1,0,1]=4 856 B3R0.2 C(=O)([O-])[O-] P111558 [2,0,0,0,0,0|1,0,1]=4 857 B3R0.2 C(=O)([O-])[O-] P111561 [2,0,0,0,0,0|1,0,1]=4 858 B3R0.2 C(=O)([O-])[O-] P111562 [2,0,0,0,0,0|1,0,1]=4 859 B3R0.2 C(=O)([O-])[O-] P111563 [2,0,0,0,0,0|1,0,1]=4 860 B3R0.2 C(=O)([O-])[O-] P294003 [2,0,0,0,0,0|1,0,1]=4 861 B3R0.2 C(=O)([O-])[O-] P299567 [2,0,0,0,0,0|1,0,1]=4 862 B3R0.2 C(=O)([O-])[O-] P345539 [2,0,0,0,0,0|1,0,1]=4 863 B3R0.2 C(=O)([O-])[O-] P399177 [2,0,0,0,0,0|1,0,1]=4 864 B3R0.2 C(=O)([O-])[O-] P432993 [2,0,0,0,0,0|1,0,1]=4 865 B3R0.2 C(=O)([O-])[O-] P475259 [2,0,0,0,0,0|1,0,1]=4 866 B3R0.2 C(=O)([O-])[O-] P485460 [2,0,0,0,0,0|1,0,1]=4 867 B3R0.2 C(=O)([O-])[O-] R105381 [2,0,0,0,0,0|1,0,1]=4 868 B3R0.2 C(=O)([O-])[O-] R121990 [2,0,0,0,0,0|1,0,1]=4 869 B3R0.2 C(=O)([O-])[O-] S102039 [2,0,0,0,0,0|1,0,1]=4 870 B3R0.2 C(=O)([O-])[O-] S102041 [2,0,0,0,0,0|1,0,1]=4 871 B3R0.2 C(=O)([O-])[O-] S102043 [2,0,0,0,0,0|1,0,1]=4 872 B3R0.2 C(=O)([O-])[O-] S102045 [2,0,0,0,0,0|1,0,1]=4 873 B3R0.2 C(=O)([O-])[O-] S102046 [2,0,0,0,0,0|1,0,1]=4 874 B3R0.2 C(=O)([O-])[O-] S104735 [2,0,0,0,0,0|1,0,1]=4 875 B3R0.2 C(=O)([O-])[O-] S104737 [2,0,0,0,0,0|1,0,1]=4 876 B3R0.2 C(=O)([O-])[O-] S111733 [2,0,0,0,0,0|1,0,1]=4 877 B3R0.2 C(=O)([O-])[O-] S111735 [2,0,0,0,0,0|1,0,1]=4 878 B3R0.2 C(=O)([O-])[O-] S111736 [2,0,0,0,0,0|1,0,1]=4 879 B3R0.2 C(=O)([O-])[O-] S111737 [2,0,0,0,0,0|1,0,1]=4 880 B3R0.2 C(=O)([O-])[O-] S111738 [2,0,0,0,0,0|1,0,1]=4 881 B3R0.2 C(=O)([O-])[O-] S111739 [2,0,0,0,0,0|1,0,1]=4 882 B3R0.2 C(=O)([O-])[O-] S112589 [2,0,0,0,0,0|1,0,1]=4 883 B3R0.2 C(=O)([O-])[O-] S112591 [2,0,0,0,0,0|1,0,1]=4 884 B3R0.2 C(=O)([O-])[O-] S112592 [2,0,0,0,0,0|1,0,1]=4 885 B3R0.2 C(=O)([O-])[O-] S113834 [2,0,0,0,0,0|1,0,1]=4 886 B3R0.2 C(=O)([O-])[O-] S117544 [2,0,0,0,0,0|1,0,1]=4 887 B3R0.2 C(=O)([O-])[O-] S119016 [2,0,0,0,0,0|1,0,1]=4 888 B3R0.2 C(=O)([O-])[O-] S119487 [2,0,0,0,0,0|1,0,1]=4 889 B3R0.2 C(=O)([O-])[O-] S141342 [2,0,0,0,0,0|1,0,1]=4 890 B3R0.2 C(=O)([O-])[O-] S189038 [2,0,0,0,0,0|1,0,1]=4 891 B3R0.2 C(=O)([O-])[O-] S283014 [2,0,0,0,0,0|1,0,1]=4 892 B3R0.2 C(=O)([O-])[O-] S291927 [2,0,0,0,0,0|1,0,1]=4 893 B3R0.2 C(=O)([O-])[O-] S291928 [2,0,0,0,0,0|1,0,1]=4 894 B3R0.2 C(=O)([O-])[O-] S291929 [2,0,0,0,0,0|1,0,1]=4 895 B3R0.2 C(=O)([O-])[O-] S291930 [2,0,0,0,0,0|1,0,1]=4 896 B3R0.2 C(=O)([O-])[O-] S291931 [2,0,0,0,0,0|1,0,1]=4 897 B3R0.2 C(=O)([O-])[O-] S291932 [2,0,0,0,0,0|1,0,1]=4 898 B3R0.2 C(=O)([O-])[O-] S291933 [2,0,0,0,0,0|1,0,1]=4 899 B3R0.2 C(=O)([O-])[O-] S291935 [2,0,0,0,0,0|1,0,1]=4 900 B3R0.2 C(=O)([O-])[O-] S291943 [2,0,0,0,0,0|1,0,1]=4 901 B3R0.2 C(=O)([O-])[O-] S399117 [2,0,0,0,0,0|1,0,1]=4 902 B3R0.2 C(=O)([O-])[O-] S432174 [2,0,0,0,0,0|1,0,1]=4 903 B3R0.2 C(=O)([O-])[O-] S432759 [2,0,0,0,0,0|1,0,1]=4 904 B3R0.2 C(=O)([O-])[O-] S432760 [2,0,0,0,0,0|1,0,1]=4 905 B3R0.2 C(=O)([O-])[O-] S432761 [2,0,0,0,0,0|1,0,1]=4 906 B3R0.2 C(=O)([O-])[O-] S591270 [2,0,0,0,0,0|1,0,1]=4 907 B3R0.2 C(=O)([O-])[O-] T302043 [2,0,0,0,0,0|1,0,1]=4 908 B3R0.2 C(=O)([O-])[O-] T302044 [2,0,0,0,0,0|1,0,1]=4 909 B3R0.2 C=C(Cl)Cl D111347 [2,0,0,0,0,0|2,0,0]=4 910 B3R0.2 C=C(Cl)Cl D433595 [2,0,0,0,0,0|2,0,0]=4 911 B3R0.2 C=C(F)F P169015 [2,0,0,0,0,0|2,0,0]=4 912 B3R0.2 C=C(F)F P302009 [2,0,0,0,0,0|2,0,0]=4 913 B3R0.2 C=C(F)F P302010 [2,0,0,0,0,0|2,0,0]=4 914 B3R0.2 C=C(F)F P302012 [2,0,0,0,0,0|2,0,0]=4 915 B3R0.2 C=C(F)F P302014 [2,0,0,0,0,0|2,0,0]=4 916 B3R0.2 C=C(F)F P432377 [2,0,0,0,0,0|2,0,0]=4 917 B3R0.2 C=C(F)F P432378 [2,0,0,0,0,0|2,0,0]=4 918 B3R0.2 C=C(F)F P432379 [2,0,0,0,0,0|2,0,0]=4 919 B3R0.2 CC(=C)Br B124196 [2,0,0,0,0,0|1,0,0]=3 920 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|1,0,0]=3 921 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|1,0,0]=3 922 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|1,0,0]=3 923 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|1,0,0]=3 924 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|1,0,0]=3 925 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|1,0,0]=3 926 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|1,0,0]=3 927 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|1,0,0]=3 928 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|1,0,0]=3 929 B3R0.2 CC(=N)N A107218 [2,0,0,0,0,0|2,0,0]=4 930 B3R0.2 CC(=N)N A151335 [2,0,0,0,0,0|2,0,0]=4 931 B3R0.2 CC(=N)N A405649 [2,0,0,0,0,0|2,0,0]=4 932 B3R0.2 CC(=O)Br A109619 [2,0,0,0,0,0|1,0,0]=3 933 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|0,0,1]=3 934 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|0,0,1]=3 935 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|0,0,1]=3 936 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|0,0,1]=3 937 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|0,0,1]=3 938 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|0,0,1]=3 939 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|0,0,1]=3 940 B3R0.2 CC(=O)Cl A108662 [2,0,0,0,0,0|1,0,0]=3 941 B3R0.2 CC(=O)Cl A108664 [2,0,0,0,0,0|1,0,0]=3 942 B3R0.2 CC(=O)Cl A121289 [2,0,0,0,0,0|1,0,0]=3 943 B3R0.2 CC(=O)Cl A140638 [2,0,0,0,0,0|1,0,0]=3 944 B3R0.2 CC(=O)I A151620 [2,0,0,0,0,0|1,0,0]=3 945 B3R0.2 CC(=O)N A108460 [2,0,0,0,0,0|1,0,0]=3 946 B3R0.2 CC(=O)N A108461 [2,0,0,0,0,0|1,0,0]=3 947 B3R0.2 CC(=O)N A108462 [2,0,0,0,0,0|1,0,0]=3 948 B3R0.2 CC(=O)O A111246 [2,0,0,0,0,0|0,0,0]=2 949 B3R0.2 CC(=O)O A111247 [2,0,0,0,0,0|0,0,0]=2 950 B3R0.2 CC(=O)O A112880 [2,0,0,0,0,0|0,0,0]=2 951 B3R0.2 CC(=O)O A116165 [2,0,0,0,0,0|0,0,0]=2 952 B3R0.2 CC(=O)O A116166 [2,0,0,0,0,0|0,0,0]=2 953 B3R0.2 CC(=O)O A116167 [2,0,0,0,0,0|0,0,0]=2 954 B3R0.2 CC(=O)O A116168 [2,0,0,0,0,0|0,0,0]=2 955 B3R0.2 CC(=O)O A116170 [2,0,0,0,0,0|0,0,0]=2 956 B3R0.2 CC(=O)O A116172 [2,0,0,0,0,0|0,0,0]=2 957 B3R0.2 CC(=O)O A116173 [2,0,0,0,0,0|0,0,0]=2 958 B3R0.2 CC(=O)O A116174 [2,0,0,0,0,0|0,0,0]=2 959 B3R0.2 CC(=O)O A121278 [2,0,0,0,0,0|0,0,0]=2 960 B3R0.2 CC(=O)O A140018 [2,0,0,0,0,0|0,0,0]=2 961 B3R0.2 CC(=O)O A140666 [2,0,0,0,0,0|0,0,0]=2 962 B3R0.2 CC(=O)O A197260 [2,0,0,0,0,0|0,0,0]=2 963 B3R0.2 CC(=O)O A291630 [2,0,0,0,0,0|0,0,0]=2 964 B3R0.2 CC(=O)O A298827 [2,0,0,0,0,0|0,0,0]=2 965 B3R0.2 CC(=O)O A433217 [2,0,0,0,0,0|0,0,0]=2 966 B3R0.2 CC(=O)O A433219 [2,0,0,0,0,0|0,0,0]=2 967 B3R0.2 CC(=O)O A433222 [2,0,0,0,0,0|0,0,0]=2 968 B3R0.2 CC(=O)O A433223 [2,0,0,0,0,0|0,0,0]=2 969 B3R0.2 CC(=O)O A471867 [2,0,0,0,0,0|0,0,0]=2 970 B3R0.2 CC(=O)O A579677 [2,0,0,0,0,0|0,0,0]=2 971 B3R0.2 CC(=O)O D347619 [2,0,0,0,0,0|0,0,0]=2 972 B3R0.2 CC(=O)O E196209 [2,0,0,0,0,0|0,0,0]=2 973 B3R0.2 CC(=O)O E300209 [2,0,0,0,0,0|0,0,0]=2 974 B3R0.2 CC(=O)O E433149 [2,0,0,0,0,0|0,0,0]=2 975 B3R0.2 CC(=O)O F100557 [2,0,0,0,0,0|0,0,0]=2 976 B3R0.2 CC(=O)O G347679 [2,0,0,0,0,0|0,0,0]=2 977 B3R0.2 CC(=O)O G475063 [2,0,0,0,0,0|0,0,0]=2 978 B3R0.2 CC(=O)O H119952 [2,0,0,0,0,0|0,0,0]=2 979 B3R0.2 CC(=O)O N106127 [2,0,0,0,0,0|0,0,0]=2 980 B3R0.2 CC(=O)O P196208 [2,0,0,0,0,0|0,0,0]=2 981 B3R0.2 CC(=O)O S100373 [2,0,0,0,0,0|0,0,0]=2 982 B3R0.2 CC(=O)O S378199 [2,0,0,0,0,0|0,0,0]=2 983 B3R0.2 CC(=O)O S431670 [2,0,0,0,0,0|0,0,0]=2 984 B3R0.2 CC(=O)O S431671 [2,0,0,0,0,0|0,0,0]=2 985 B3R0.2 CC(=O)O T192674 [2,0,0,0,0,0|0,0,0]=2 986 B3R0.2 CC(=O)S T112604 [2,0,0,0,0,0|0,1,0]=3 987 B3R0.2 CC(=O)[O-] A111331 [2,0,0,0,0,0|0,0,1]=3 988 B3R0.2 CC(=O)[O-] A112048 [2,0,0,0,0,0|0,0,1]=3 989 B3R0.2 CC(=O)[O-] A112055 [2,0,0,0,0,0|0,0,1]=3 990 B3R0.2 CC(=O)[O-] A112056 [2,0,0,0,0,0|0,0,1]=3 991 B3R0.2 CC(=O)[O-] A112057 [2,0,0,0,0,0|0,0,1]=3 992 B3R0.2 CC(=O)[O-] A112058 [2,0,0,0,0,0|0,0,1]=3 993 B3R0.2 CC(=O)[O-] A112059 [2,0,0,0,0,0|0,0,1]=3 994 B3R0.2 CC(=O)[O-] A112060 [2,0,0,0,0,0|0,0,1]=3 995 B3R0.2 CC(=O)[O-] A112061 [2,0,0,0,0,0|0,0,1]=3 996 B3R0.2 CC(=O)[O-] A121772 [2,0,0,0,0,0|0,0,1]=3 997 B3R0.2 CC(=O)[O-] A294961 [2,0,0,0,0,0|0,0,1]=3 998 B3R0.2 CC(=O)[O-] A294964 [2,0,0,0,0,0|0,0,1]=3 999 B3R0.2 CC(=O)[O-] A433166 [2,0,0,0,0,0|0,0,1]=3 1000 B3R0.2 CC(=O)[O-] B102945 [2,0,0,0,0,0|0,0,1]=3 1001 B3R0.2 CC(=O)[O-] B102947 [2,0,0,0,0,0|0,0,1]=3 1002 B3R0.2 CC(=O)[O-] B102949 [2,0,0,0,0,0|0,0,1]=3 1003 B3R0.2 CC(=O)[O-] B303104 [2,0,0,0,0,0|0,0,1]=3 1004 B3R0.2 CC(=O)[O-] B303105 [2,0,0,0,0,0|0,0,1]=3 1005 B3R0.2 CC(=O)[O-] C100139 [2,0,0,0,0,0|0,0,1]=3 1006 B3R0.2 CC(=O)[O-] C100141 [2,0,0,0,0,0|0,0,1]=3 1007 B3R0.2 CC(=O)[O-] C105400 [2,0,0,0,0,0|0,0,1]=3 1008 B3R0.2 CC(=O)[O-] C106020 [2,0,0,0,0,0|0,0,1]=3 1009 B3R0.2 CC(=O)[O-] C106650 [2,0,0,0,0,0|0,0,1]=3 1010 B3R0.2 CC(=O)[O-] C106651 [2,0,0,0,0,0|0,0,1]=3 1011 B3R0.2 CC(=O)[O-] C108085 [2,0,0,0,0,0|0,0,1]=3 1012 B3R0.2 CC(=O)[O-] C108885 [2,0,0,0,0,0|0,0,1]=3 1013 B3R0.2 CC(=O)[O-] C108886 [2,0,0,0,0,0|0,0,1]=3 1014 B3R0.2 CC(=O)[O-] C110803 [2,0,0,0,0,0|0,0,1]=3 1015 B3R0.2 CC(=O)[O-] C110804 [2,0,0,0,0,0|0,0,1]=3 1016 B3R0.2 CC(=O)[O-] C110805 [2,0,0,0,0,0|0,0,1]=3 1017 B3R0.2 CC(=O)[O-] C110807 [2,0,0,0,0,0|0,0,1]=3 1018 B3R0.2 CC(=O)[O-] C118497 [2,0,0,0,0,0|0,0,1]=3 1019 B3R0.2 CC(=O)[O-] C118636 [2,0,0,0,0,0|0,0,1]=3 1020 B3R0.2 CC(=O)[O-] C118637 [2,0,0,0,0,0|0,0,1]=3 1021 B3R0.2 CC(=O)[O-] C131576 [2,0,0,0,0,0|0,0,1]=3 1022 B3R0.2 CC(=O)[O-] C153760 [2,0,0,0,0,0|0,0,1]=3 1023 B3R0.2 CC(=O)[O-] C197275 [2,0,0,0,0,0|0,0,1]=3 1024 B3R0.2 CC(=O)[O-] C305845 [2,0,0,0,0,0|0,0,1]=3 1025 B3R0.2 CC(=O)[O-] C433063 [2,0,0,0,0,0|0,0,1]=3 1026 B3R0.2 CC(=O)[O-] C433113 [2,0,0,0,0,0|0,0,1]=3 1027 B3R0.2 CC(=O)[O-] C472574 [2,0,0,0,0,0|0,0,1]=3 1028 B3R0.2 CC(=O)[O-] C485449 [2,0,0,0,0,0|0,0,1]=3 1029 B3R0.2 CC(=O)[O-] C616592 [2,0,0,0,0,0|0,0,1]=3 1030 B3R0.2 CC(=O)[O-] E347618 [2,0,0,0,0,0|0,0,1]=3 1031 B3R0.2 CC(=O)[O-] G302975 [2,0,0,0,0,0|0,0,1]=3 1032 B3R0.2 CC(=O)[O-] H283501 [2,0,0,0,0,0|0,0,1]=3 1033 B3R0.2 CC(=O)[O-] I157596 [2,0,0,0,0,0|0,0,1]=3 1034 B3R0.2 CC(=O)[O-] I192310 [2,0,0,0,0,0|0,0,1]=3 1035 B3R0.2 CC(=O)[O-] I432598 [2,0,0,0,0,0|0,0,1]=3 1036 B3R0.2 CC(=O)[O-] I432599 [2,0,0,0,0,0|0,0,1]=3 1037 B3R0.2 CC(=O)[O-] L102778 [2,0,0,0,0,0|0,0,1]=3 1038 B3R0.2 CC(=O)[O-] L102779 [2,0,0,0,0,0|0,0,1]=3 1039 B3R0.2 CC(=O)[O-] L105189 [2,0,0,0,0,0|0,0,1]=3 1040 B3R0.2 CC(=O)[O-] L105191 [2,0,0,0,0,0|0,0,1]=3 1041 B3R0.2 CC(=O)[O-] L105192 [2,0,0,0,0,0|0,0,1]=3 1042 B3R0.2 CC(=O)[O-] L106809 [2,0,0,0,0,0|0,0,1]=3 1043 B3R0.2 CC(=O)[O-] L106810 [2,0,0,0,0,0|0,0,1]=3 1044 B3R0.2 CC(=O)[O-] L118609 [2,0,0,0,0,0|0,0,1]=3 1045 B3R0.2 CC(=O)[O-] L118858 [2,0,0,0,0,0|0,0,1]=3 1046 B3R0.2 CC(=O)[O-] L168480 [2,0,0,0,0,0|0,0,1]=3 1047 B3R0.2 CC(=O)[O-] L189058 [2,0,0,0,0,0|0,0,1]=3 1048 B3R0.2 CC(=O)[O-] L196609 [2,0,0,0,0,0|0,0,1]=3 1049 B3R0.2 CC(=O)[O-] L331817 [2,0,0,0,0,0|0,0,1]=3 1050 B3R0.2 CC(=O)[O-] M108880 [2,0,0,0,0,0|0,0,1]=3 1051 B3R0.2 CC(=O)[O-] M108882 [2,0,0,0,0,0|0,0,1]=3 1052 B3R0.2 CC(=O)[O-] M108883 [2,0,0,0,0,0|0,0,1]=3 1053 B3R0.2 CC(=O)[O-] M108884 [2,0,0,0,0,0|0,0,1]=3 1054 B3R0.2 CC(=O)[O-] M131577 [2,0,0,0,0,0|0,0,1]=3 1055 B3R0.2 CC(=O)[O-] M168281 [2,0,0,0,0,0|0,0,1]=3 1056 B3R0.2 CC(=O)[O-] M302852 [2,0,0,0,0,0|0,0,1]=3 1057 B3R0.2 CC(=O)[O-] M433192 [2,0,0,0,0,0|0,0,1]=3 1058 B3R0.2 CC(=O)[O-] M587217 [2,0,0,0,0,0|0,0,1]=3 1059 B3R0.2 CC(=O)[O-] M615748 [2,0,0,0,0,0|0,0,1]=3 1060 B3R0.2 CC(=O)[O-] P100486 [2,0,0,0,0,0|0,0,1]=3 1061 B3R0.2 CC(=O)[O-] P108325 [2,0,0,0,0,0|0,0,1]=3 1062 B3R0.2 CC(=O)[O-] P108329 [2,0,0,0,0,0|0,0,1]=3 1063 B3R0.2 CC(=O)[O-] P108330 [2,0,0,0,0,0|0,0,1]=3 1064 B3R0.2 CC(=O)[O-] P111485 [2,0,0,0,0,0|0,0,1]=3 1065 B3R0.2 CC(=O)[O-] P111486 [2,0,0,0,0,0|0,0,1]=3 1066 B3R0.2 CC(=O)[O-] P160183 [2,0,0,0,0,0|0,0,1]=3 1067 B3R0.2 CC(=O)[O-] P283478 [2,0,0,0,0,0|0,0,1]=3 1068 B3R0.2 CC(=O)[O-] P283931 [2,0,0,0,0,0|0,0,1]=3 1069 B3R0.2 CC(=O)[O-] P299555 [2,0,0,0,0,0|0,0,1]=3 1070 B3R0.2 CC(=O)[O-] P299556 [2,0,0,0,0,0|0,0,1]=3 1071 B3R0.2 CC(=O)[O-] P639156 [2,0,0,0,0,0|0,0,1]=3 1072 B3R0.2 CC(=O)[O-] R102671 [2,0,0,0,0,0|0,0,1]=3 1073 B3R0.2 CC(=O)[O-] R283395 [2,0,0,0,0,0|0,0,1]=3 1074 B3R0.2 CC(=O)[O-] R304476 [2,0,0,0,0,0|0,0,1]=3 1075 B3R0.2 CC(=O)[O-] S104731 [2,0,0,0,0,0|0,0,1]=3 1076 B3R0.2 CC(=O)[O-] S104733 [2,0,0,0,0,0|0,0,1]=3 1077 B3R0.2 CC(=O)[O-] S111519 [2,0,0,0,0,0|0,0,1]=3 1078 B3R0.2 CC(=O)[O-] S111520 [2,0,0,0,0,0|0,0,1]=3 1079 B3R0.2 CC(=O)[O-] S111521 [2,0,0,0,0,0|0,0,1]=3 1080 B3R0.2 CC(=O)[O-] S111522 [2,0,0,0,0,0|0,0,1]=3 1081 B3R0.2 CC(=O)[O-] S112480 [2,0,0,0,0,0|0,0,1]=3 1082 B3R0.2 CC(=O)[O-] S116316 [2,0,0,0,0,0|0,0,1]=3 1083 B3R0.2 CC(=O)[O-] S116317 [2,0,0,0,0,0|0,0,1]=3 1084 B3R0.2 CC(=O)[O-] S116318 [2,0,0,0,0,0|0,0,1]=3 1085 B3R0.2 CC(=O)[O-] S116319 [2,0,0,0,0,0|0,0,1]=3 1086 B3R0.2 CC(=O)[O-] S116320 [2,0,0,0,0,0|0,0,1]=3 1087 B3R0.2 CC(=O)[O-] S118647 [2,0,0,0,0,0|0,0,1]=3 1088 B3R0.2 CC(=O)[O-] S118648 [2,0,0,0,0,0|0,0,1]=3 1089 B3R0.2 CC(=O)[O-] S118649 [2,0,0,0,0,0|0,0,1]=3 1090 B3R0.2 CC(=O)[O-] S118650 [2,0,0,0,0,0|0,0,1]=3 1091 B3R0.2 CC(=O)[O-] S118661 [2,0,0,0,0,0|0,0,1]=3 1092 B3R0.2 CC(=O)[O-] S121307 [2,0,0,0,0,0|0,0,1]=3 1093 B3R0.2 CC(=O)[O-] S299214 [2,0,0,0,0,0|0,0,1]=3 1094 B3R0.2 CC(=O)[O-] S299215 [2,0,0,0,0,0|0,0,1]=3 1095 B3R0.2 CC(=O)[O-] S301881 [2,0,0,0,0,0|0,0,1]=3 1096 B3R0.2 CC(=O)[O-] S301882 [2,0,0,0,0,0|0,0,1]=3 1097 B3R0.2 CC(=O)[O-] S305337 [2,0,0,0,0,0|0,0,1]=3 1098 B3R0.2 CC(=O)[O-] S306014 [2,0,0,0,0,0|0,0,1]=3 1099 B3R0.2 CC(=O)[O-] S331497 [2,0,0,0,0,0|0,0,1]=3 1100 B3R0.2 CC(=O)[O-] S335300 [2,0,0,0,0,0|0,0,1]=3 1101 B3R0.2 CC(=O)[O-] S339494 [2,0,0,0,0,0|0,0,1]=3 1102 B3R0.2 CC(=O)[O-] S421119 [2,0,0,0,0,0|0,0,1]=3 1103 B3R0.2 CC(=O)[O-] S431676 [2,0,0,0,0,0|0,0,1]=3 1104 B3R0.2 CC(=O)[O-] S431678 [2,0,0,0,0,0|0,0,1]=3 1105 B3R0.2 CC(=O)[O-] S431679 [2,0,0,0,0,0|0,0,1]=3 1106 B3R0.2 CC(=O)[O-] S431680 [2,0,0,0,0,0|0,0,1]=3 1107 B3R0.2 CC(=O)[O-] S434883 [2,0,0,0,0,0|0,0,1]=3 1108 B3R0.2 CC(=O)[O-] T303317 [2,0,0,0,0,0|0,0,1]=3 1109 B3R0.2 CC(=O)[O-] T304247 [2,0,0,0,0,0|0,0,1]=3 1110 B3R0.2 CC(=O)[O-] T331924 [2,0,0,0,0,0|0,0,1]=3 1111 B3R0.2 CC(=O)[O-] Z110777 [2,0,0,0,0,0|0,0,1]=3 1112 B3R0.2 CC(=O)[O-] Z110779 [2,0,0,0,0,0|0,0,1]=3 1113 B3R0.2 CC(=O)[O-] Z110780 [2,0,0,0,0,0|0,0,1]=3 1114 B3R0.2 CC(=O)[O-] Z110957 [2,0,0,0,0,0|0,0,1]=3 1115 B3R0.2 CC(=O)[O-] Z111245 [2,0,0,0,0,0|0,0,1]=3 1116 B3R0.2 CC(=O)[O-] Z119378 [2,0,0,0,0,0|0,0,1]=3 1117 B3R0.2 CC(=O)[O-] Z424741 [2,0,0,0,0,0|0,0,1]=3 1118 B3R0.2 CC(=O)[O-] Z424969 [2,0,0,0,0,0|0,0,1]=3 1119 B3R0.2 CC(=O)[O-] Z433041 [2,0,0,0,0,0|0,0,1]=3 1120 B3R0.2 CC(=O)[O-] Z434712 [2,0,0,0,0,0|0,0,1]=3 1121 B3R0.2 CC(=O)[O-] Z489311 [2,0,0,0,0,0|0,0,1]=3 1122 B3R0.2 CC(=S)N T104039 [2,0,0,0,0,0|1,1,0]=4 1123 B3R0.2 CC(=S)N T118452 [2,0,0,0,0,0|1,1,0]=4 1124 B3R0.2 CC(=S)N T425171 [2,0,0,0,0,0|1,1,0]=4 1125 B3R0.2 CC(=S)[O-] P106179 [2,0,0,0,0,0|0,1,1]=4 1126 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|1,0,1]=4 1127 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|1,0,1]=4 1128 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|1,0,1]=4 1129 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|1,0,1]=4 1130 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|1,0,1]=4 1131 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|1,0,1]=4 1132 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|1,0,1]=4 1133 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|1,0,1]=4 1134 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|1,0,1]=4 1135 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|1,0,1]=4 1136 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|1,0,1]=4 1137 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|1,0,1]=4 1138 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|1,0,1]=4 1139 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|1,0,1]=4 1140 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|1,0,1]=4 1141 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|1,0,1]=4 1142 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|1,0,1]=4 1143 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|2,0,0]=4 1144 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|1,0,1]=4 1145 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|1,0,1]=4 1146 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|1,0,1]=4 1147 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|1,0,1]=4 1148 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|1,0,1]=4 1149 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|1,0,1]=4 1150 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|1,0,1]=4 1151 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|1,0,1]=4 1152 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|1,0,1]=4 1153 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|1,0,1]=4 1154 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|1,0,1]=4 1155 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|1,0,1]=4 1156 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|1,0,1]=4 1157 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|1,0,1]=4 1158 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|1,0,1]=4 1159 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|1,0,1]=4 1160 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|1,0,1]=4 1161 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|1,0,1]=4 1162 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|1,0,1]=4 1163 B3R0.2 CS(=O)Cl M589856 [2,0,0,0,0,0|2,0,0]=4 1164 B3R0.2 CS(=O)[O-] S161089 [2,0,0,0,0,0|1,0,1]=4 1165 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|2,0,0]=4 1166 B3R0.2 C[N+](=O)[O-] N102268 [2,0,0,0,0,0|1,0,1]=4 1167 B3R0.2 C[N+](=O)[O-] N109661 [2,0,0,0,0,0|1,0,1]=4 1168 B3R0.2 C[N+](=O)[O-] N109662 [2,0,0,0,0,0|1,0,1]=4 1169 B3R0.2 C[N+](=O)[O-] N109664 [2,0,0,0,0,0|1,0,1]=4 1170 B3R0.2 C[N+](=O)[O-] N109665 [2,0,0,0,0,0|1,0,1]=4 1171 B3R0.2 C[N+](=O)[O-] N109666 [2,0,0,0,0,0|1,0,1]=4 1172 B3R0.2 C[N+](=O)[O-] N119666 [2,0,0,0,0,0|1,0,1]=4 1173 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|1,0,1]=4 1174 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|0,1,1]=4 1175 B3R0.2 OI(=O)=O I104593 [2,0,0,0,0,0|2,0,0]=4 1176 B3R0.2 OI(=O)=O I104594 [2,0,0,0,0,0|2,0,0]=4 1177 B3R0.2 OI(=O)=O I104595 [2,0,0,0,0,0|2,0,0]=4 1178 B3R0.2 OI(=O)=O P101302 [2,0,0,0,0,0|2,0,0]=4 1179 B3R0.2 OI(=O)=O P101306 [2,0,0,0,0,0|2,0,0]=4 1180 B3R0.2 OP(=O)=O P100468 [2,0,0,0,0,0|2,0,0]=4 1181 B3R0.2 OS(=O)O S112653 [2,0,0,0,0,0|2,0,0]=4 1182 B3R0.2 OS(=O)O S112654 [2,0,0,0,0,0|2,0,0]=4 1183 B3R0.2 OS(=O)O S615687 [2,0,0,0,0,0|2,0,0]=4 1184 B3R0.2 OS(=O)[O-] A302082 [2,0,0,0,0,0|2,0,0]=4 1185 B3R0.2 OS(=O)[O-] S111720 [2,0,0,0,0,0|2,0,0]=4 1186 B3R0.2 OS(=O)[O-] S111722 [2,0,0,0,0,0|2,0,0]=4 1187 B3R0.2 OS(=O)[O-] S111723 [2,0,0,0,0,0|2,0,0]=4 1188 B3R0.2 OS(=O)[O-] S598869 [2,0,0,0,0,0|2,0,0]=4 1189 B3R0.2 O[Ti](=O)[O-] L404110 [2,0,0,0,0,0|2,0,0]=4 1190 B3R0.2 [N+](=O)(O)[O-] A117713 [2,0,0,0,0,0|2,0,0]=4 1191 B3R0.2 [N+](=O)(O)[O-] A117714 [2,0,0,0,0,0|2,0,0]=4 1192 B3R0.2 [N+](=O)(O)[O-] A117715 [2,0,0,0,0,0|2,0,0]=4 1193 B3R0.2 [N+](=O)(O)[O-] A117716 [2,0,0,0,0,0|2,0,0]=4 1194 B3R0.2 [N+](=O)(O)[O-] A117717 [2,0,0,0,0,0|2,0,0]=4 1195 B3R0.2 [N+](=O)(O)[O-] A117719 [2,0,0,0,0,0|2,0,0]=4 1196 B3R0.2 [N+](=O)(O)[O-] N116240 [2,0,0,0,0,0|2,0,0]=4 1197 B3R0.2 [N+](=O)(O)[O-] N116241 [2,0,0,0,0,0|2,0,0]=4 1198 B3R0.2 [N+](=O)(O)[O-] N116242 [2,0,0,0,0,0|2,0,0]=4 1199 B3R0.2 [N+](=O)(O)[O-] N116243 [2,0,0,0,0,0|2,0,0]=4 1200 B3R0.2 [N+](=O)(O)[O-] N116244 [2,0,0,0,0,0|2,0,0]=4 1201 B3R0.2 [N+](=O)(O)[O-] N116245 [2,0,0,0,0,0|2,0,0]=4 1202 B3R0.2 [N+](=O)(O)[O-] N121305 [2,0,0,0,0,0|2,0,0]=4 1203 B3R0.2 [N+](=O)(O)[O-] N197229 [2,0,0,0,0,0|2,0,0]=4 1204 B3R0.2 [N+](=O)(O)[O-] N291980 [2,0,0,0,0,0|2,0,0]=4 1205 B3R0.2 [N+](=O)(O)[O-] N401565 [2,0,0,0,0,0|2,0,0]=4 1206 B3R0.2 [N+](=O)(O)[O-] N433819 [2,0,0,0,0,0|2,0,0]=4 1207 B3R0.2 [N+](=O)(O)[O-] N639640 [2,0,0,0,0,0|2,0,0]=4 1208 B5R0.3 C(C(=CCl)Cl)Cl T161631 [1,1,0,0,0,0|2,0,0]=4 1209 B5R0.3 C(C(=O)CBr)Br D139292 [1,1,0,0,0,0|1,0,1]=4 1210 B5R0.3 C(C(=O)NN)O H192943 [1,1,0,0,0,0|2,0,0]=4 1211 B5R0.3 C=CC(CCl)Cl D155424 [1,1,0,0,0,0|1,0,1]=4 1212 B5R0.3 C=CC(CO)O B589259 [1,1,0,0,0,0|0,0,2]=4 1213 B5R0.3 CC(C=C)C#N M158306 [1,1,0,0,0,0|1,0,1]=4 1214 B5R0.3 CC=C(C)C#N M158305 [1,1,0,0,0,0|1,0,1]=4 1215 B5R0.3 CC=C(C)C=O T161495 [1,1,0,0,0,0|0,0,1]=3 1216 B5R0.3 CCC(=C)C=O E189230 [1,1,0,0,0,0|2,0,0]=4 1217 B5R0.3 CCC(=CC)C T162381 [1,1,0,0,0,0|1,0,1]=4 1218 B5R0.3 CCC(=O)CC P103791 [1,1,0,0,0,0|0,0,2]=4 1219 B5R0.3 CCC(=O)CC P103792 [1,1,0,0,0,0|0,0,2]=4 1220 B5R0.3 CCC(=O)CC P103794 [1,1,0,0,0,0|0,0,2]=4 1221 B5R0.3 CCC(=O)CO H193640 [1,1,0,0,0,0|0,0,2]=4 1222 B5R0.3 CCC(=O)NC N159394 [1,1,0,0,0,0|0,0,2]=4 1223 B5R0.3 CCC(=O)NN P342062 [1,1,0,0,0,0|2,0,0]=4 1224 B5R0.3 CCC(=O)OC M110420 [1,1,0,0,0,0|0,0,1]=3 1225 B5R0.3 CCC(=O)OC M110421 [1,1,0,0,0,0|0,0,1]=3 1226 B5R0.3 CCC(=O)OC M110422 [1,1,0,0,0,0|0,0,1]=3 1227 B5R0.3 CCC(=O)OC M491732 [1,1,0,0,0,0|0,0,1]=3 1228 B5R0.3 CCC(=O)SC S404755 [1,1,0,0,0,0|0,0,2]=4 1229 B5R0.3 CCC(C)C=C M158226 [1,1,0,0,0,0|1,0,1]=4 1230 B5R0.3 CCC(C=C)O P160532 [1,1,0,0,0,0|0,0,2]=4 1231 B5R0.3 CN(C=O)OC N588715 [1,1,0,0,0,0|1,0,1]=4 1232 B5R0.3 CNC(=O)C=C N189941 [1,1,0,0,0,0|0,0,0]=2 1233 B5R0.3 CNC(=O)CBr B588815 [1,1,0,0,0,0|1,0,1]=4 1234 B5R0.3 CNC(=O)CCl C124467 [1,1,0,0,0,0|1,0,1]=4 1235 B5R0.3 CNC(=O)CN A182951 [1,1,0,0,0,0|1,0,1]=4 1236 B5R0.3 CNC(=O)CS M124593 [1,1,0,0,0,0|1,0,1]=4 1237 B5R0.3 CNC(=O)NC D104702 [1,1,0,0,0,0|1,0,1]=4 1238 B5R0.3 COC(=O)C#C M106792 [1,1,0,0,0,0|0,0,2]=4 1239 B5R0.3 COC(=O)C=C M100029 [1,1,0,0,0,0|0,0,0]=2 1240 B5R0.3 COC(=O)C=C M100030 [1,1,0,0,0,0|0,0,0]=2 1241 B5R0.3 COC(=O)C=C M100032 [1,1,0,0,0,0|0,0,0]=2 1242 B5R0.3 COC(=O)C=C M100033 [1,1,0,0,0,0|0,0,0]=2 1243 B5R0.3 COC(=O)CBr M106900 [1,1,0,0,0,0|0,0,1]=3 1244 B5R0.3 COC(=O)CCl M104120 [1,1,0,0,0,0|0,0,1]=3 1245 B5R0.3 COC(=O)CCl M104121 [1,1,0,0,0,0|0,0,1]=3 1246 B5R0.3 COC(=O)CCl M305846 [1,1,0,0,0,0|0,0,1]=3 1247 B5R0.3 COC(=O)CN G105475 [1,1,0,0,0,0|0,0,1]=3 1248 B5R0.3 COC(=O)CO M101718 [1,1,0,0,0,0|0,0,1]=3 1249 B5R0.3 COC(=O)CS M103140 [1,1,0,0,0,0|0,0,1]=3 1250 B5R0.3 COC(=O)NN M106002 [1,1,0,0,0,0|1,0,1]=4 1251 B5R0.3 COC(=O)OC D110623 [1,1,0,0,0,0|0,0,1]=3 1252 B5R0.3 COC(=O)OC D110625 [1,1,0,0,0,0|0,0,1]=3 1253 B5R0.3 COC(=O)OC D119695 [1,1,0,0,0,0|0,0,1]=3 1254 B5R0.3 COC(=O)OC D294884 [1,1,0,0,0,0|0,0,1]=3 1255 B5R0.3 COC(=O)OC D433121 [1,1,0,0,0,0|0,0,1]=3 1256 B5R0.3 COC(=O)OC D433122 [1,1,0,0,0,0|0,0,1]=3 1257 B5R0.3 COC(=O)OC D433123 [1,1,0,0,0,0|0,0,1]=3 1258 B5R0.3 COS(=O)OC D106795 [1,1,0,0,0,0|1,0,1]=4 1259 B5R0.3 CO[P+](=O)OC D304802 [1,1,0,0,0,0|1,0,1]=4 1260 B5R0.4 C=CP(=O)(O)O V162980 [1,1,0,0,0,0|2,0,0]=4 1261 B5R0.4 C=CP(=O)(O)O V298756 [1,1,0,0,0,0|2,0,0]=4 1262 B5R0.4 C=CP(=O)(O)O V432226 [1,1,0,0,0,0|2,0,0]=4 1263 B5R0.4 C=CS(=O)(=O)N E588339 [1,1,0,0,0,0|2,0,0]=4 1264 B5R0.4 C=CS(=O)(=O)[O-] S130044 [1,1,0,0,0,0|2,0,0]=4 1265 B5R0.4 CC(C)(C)C=C D111800 [1,1,0,0,0,0|1,0,1]=4 1266 B5R0.4 CC(C)(C=C)O M106453 [1,1,0,0,0,0|0,0,2]=4 1267 B5R0.4 COS(=O)(=O)C M301750 [1,1,0,0,0,0|1,0,1]=4 1268 B5R0.4 CS(=O)(=O)C=C M169945 [1,1,0,0,0,0|1,0,0]=3 1269 B5R0.4 C[N+](C)(C)C=C T161689 [1,1,0,0,0,0|2,0,0]=4 1270 B5R0.4 C[Si](C)(C)C=C N124096 [1,1,0,0,0,0|1,1,0]=4 1271 B5R0.4 C[Si](C)(C)C=C V111798 [1,1,0,0,0,0|1,1,0]=4 1272 B5R0.4 C[Si](C)(C=C)Cl C153511 [1,1,0,0,0,0|1,1,0]=4 1273 B5R0.4 C[Si](C=C)(Cl)Cl D154195 [1,1,0,0,0,0|1,1,0]=4 1274 B5R0.5 C(=O)(C(=O)Br)Br O167477 [1,1,0,0,0,0|2,0,0]=4 1275 B5R0.5 C(=O)(C(=O)Cl)Cl O104558 [1,1,0,0,0,0|2,0,0]=4 1276 B5R0.5 C(=O)(C(=O)Cl)Cl O434200 [1,1,0,0,0,0|2,0,0]=4 1277 B5R0.5 C(=O)(C(=O)N)N O113868 [1,1,0,0,0,0|2,0,0]=4 1278 B5R0.5 C(=O)(C(=O)O)N O138881 [1,1,0,0,0,0|2,0,0]=4 1279 B5R0.5 C(=O)(C(=O)O)O B301311 [1,1,0,0,0,0|2,0,0]=4 1280 B5R0.5 C(=O)(C(=O)O)O C111747 [1,1,0,0,0,0|2,0,0]=4 1281 B5R0.5 C(=O)(C(=O)O)O C111748 [1,1,0,0,0,0|2,0,0]=4 1282 B5R0.5 C(=O)(C(=O)O)O C118872 [1,1,0,0,0,0|2,0,0]=4 1283 B5R0.5 C(=O)(C(=O)O)O E194461 [1,1,0,0,0,0|2,0,0]=4 1284 B5R0.5 C(=O)(C(=O)O)O E332175 [1,1,0,0,0,0|2,0,0]=4 1285 B5R0.5 C(=O)(C(=O)O)O M304253 [1,1,0,0,0,0|2,0,0]=4 1286 B5R0.5 C(=O)(C(=O)O)O O107179 [1,1,0,0,0,0|2,0,0]=4 1287 B5R0.5 C(=O)(C(=O)O)O O107180 [1,1,0,0,0,0|2,0,0]=4 1288 B5R0.5 C(=O)(C(=O)O)O O107181 [1,1,0,0,0,0|2,0,0]=4 1289 B5R0.5 C(=O)(C(=O)O)O O107182 [1,1,0,0,0,0|2,0,0]=4 1290 B5R0.5 C(=O)(C(=O)O)O O111910 [1,1,0,0,0,0|2,0,0]=4 1291 B5R0.5 C(=O)(C(=O)O)O O111912 [1,1,0,0,0,0|2,0,0]=4 1292 B5R0.5 C(=O)(C(=O)O)O O111916 [1,1,0,0,0,0|2,0,0]=4 1293 B5R0.5 C(=O)(C(=O)O)O O111917 [1,1,0,0,0,0|2,0,0]=4 1294 B5R0.5 C(=O)(C(=O)O)O O111918 [1,1,0,0,0,0|2,0,0]=4 1295 B5R0.5 C(=O)(C(=O)O)O O291733 [1,1,0,0,0,0|2,0,0]=4 1296 B5R0.5 C(=O)(C(=O)O)O O291734 [1,1,0,0,0,0|2,0,0]=4 1297 B5R0.5 C(=O)(C(=O)O)O O291735 [1,1,0,0,0,0|2,0,0]=4 1298 B5R0.5 C(=O)(C(=O)O)O O291762 [1,1,0,0,0,0|2,0,0]=4 1299 B5R0.5 C(=O)(C(=O)O)O O301562 [1,1,0,0,0,0|2,0,0]=4 1300 B5R0.5 C(=O)(C(=O)O)O O421641 [1,1,0,0,0,0|2,0,0]=4 1301 B5R0.5 C(=O)(C(=O)O)O O432116 [1,1,0,0,0,0|2,0,0]=4 1302 B5R0.5 C(=O)(C(=O)O)O O433119 [1,1,0,0,0,0|2,0,0]=4 1303 B5R0.5 C(=O)(C(=O)O)O O433120 [1,1,0,0,0,0|2,0,0]=4 1304 B5R0.5 C(=O)(C(=O)O)O O639870 [1,1,0,0,0,0|2,0,0]=4 1305 B5R0.5 C(=O)(C(=O)O)O P639574 [1,1,0,0,0,0|2,0,0]=4 1306 B5R0.5 C(=O)(C(=O)O)O V302994 [1,1,0,0,0,0|2,0,0]=4 1307 B5R0.5 C(=O)(C(=O)[O-])N O159953 [1,1,0,0,0,0|2,0,0]=4 1308 B5R0.5 C(=O)(C(=O)[O-])N S123221 [1,1,0,0,0,0|2,0,0]=4 1309 B5R0.5 C(=O)(C(=O)[O-])O P112431 [1,1,0,0,0,0|2,0,0]=4 1310 B5R0.5 C(=O)(C(=O)[O-])O P112432 [1,1,0,0,0,0|2,0,0]=4 1311 B5R0.5 C(=O)(C(=O)[O-])[O-] A107177 [1,1,0,0,0,0|2,0,0]=4 1312 B5R0.5 C(=O)(C(=O)[O-])[O-] A111621 [1,1,0,0,0,0|2,0,0]=4 1313 B5R0.5 C(=O)(C(=O)[O-])[O-] A111623 [1,1,0,0,0,0|2,0,0]=4 1314 B5R0.5 C(=O)(C(=O)[O-])[O-] A111624 [1,1,0,0,0,0|2,0,0]=4 1315 B5R0.5 C(=O)(C(=O)[O-])[O-] A111625 [1,1,0,0,0,0|2,0,0]=4 1316 B5R0.5 C(=O)(C(=O)[O-])[O-] A111626 [1,1,0,0,0,0|2,0,0]=4 1317 B5R0.5 C(=O)(C(=O)[O-])[O-] A189700 [1,1,0,0,0,0|2,0,0]=4 1318 B5R0.5 C(=O)(C(=O)[O-])[O-] C104249 [1,1,0,0,0,0|2,0,0]=4 1319 B5R0.5 C(=O)(C(=O)[O-])[O-] C104338 [1,1,0,0,0,0|2,0,0]=4 1320 B5R0.5 C(=O)(C(=O)[O-])[O-] C304075 [1,1,0,0,0,0|2,0,0]=4 1321 B5R0.5 C(=O)(C(=O)[O-])[O-] D332176 [1,1,0,0,0,0|2,0,0]=4 1322 B5R0.5 C(=O)(C(=O)[O-])[O-] E283493 [1,1,0,0,0,0|2,0,0]=4 1323 B5R0.5 C(=O)(C(=O)[O-])[O-] G335314 [1,1,0,0,0,0|2,0,0]=4 1324 B5R0.5 C(=O)(C(=O)[O-])[O-] I104328 [1,1,0,0,0,0|2,0,0]=4 1325 B5R0.5 C(=O)(C(=O)[O-])[O-] I104329 [1,1,0,0,0,0|2,0,0]=4 1326 B5R0.5 C(=O)(C(=O)[O-])[O-] I196235 [1,1,0,0,0,0|2,0,0]=4 1327 B5R0.5 C(=O)(C(=O)[O-])[O-] I283342 [1,1,0,0,0,0|2,0,0]=4 1328 B5R0.5 C(=O)(C(=O)[O-])[O-] L193903 [1,1,0,0,0,0|2,0,0]=4 1329 B5R0.5 C(=O)(C(=O)[O-])[O-] L345282 [1,1,0,0,0,0|2,0,0]=4 1330 B5R0.5 C(=O)(C(=O)[O-])[O-] L401056 [1,1,0,0,0,0|2,0,0]=4 1331 B5R0.5 C(=O)(C(=O)[O-])[O-] M304150 [1,1,0,0,0,0|2,0,0]=4 1332 B5R0.5 C(=O)(C(=O)[O-])[O-] N189075 [1,1,0,0,0,0|2,0,0]=4 1333 B5R0.5 C(=O)(C(=O)[O-])[O-] N190420 [1,1,0,0,0,0|2,0,0]=4 1334 B5R0.5 C(=O)(C(=O)[O-])[O-] N418669 [1,1,0,0,0,0|2,0,0]=4 1335 B5R0.5 C(=O)(C(=O)[O-])[O-] P100094 [1,1,0,0,0,0|2,0,0]=4 1336 B5R0.5 C(=O)(C(=O)[O-])[O-] P100095 [1,1,0,0,0,0|2,0,0]=4 1337 B5R0.5 C(=O)(C(=O)[O-])[O-] P111570 [1,1,0,0,0,0|2,0,0]=4 1338 B5R0.5 C(=O)(C(=O)[O-])[O-] P111574 [1,1,0,0,0,0|2,0,0]=4 1339 B5R0.5 C(=O)(C(=O)[O-])[O-] P111576 [1,1,0,0,0,0|2,0,0]=4 1340 B5R0.5 C(=O)(C(=O)[O-])[O-] P299230 [1,1,0,0,0,0|2,0,0]=4 1341 B5R0.5 C(=O)(C(=O)[O-])[O-] S112348 [1,1,0,0,0,0|2,0,0]=4 1342 B5R0.5 C(=O)(C(=O)[O-])[O-] S112353 [1,1,0,0,0,0|2,0,0]=4 1343 B5R0.5 C(=O)(C(=O)[O-])[O-] S112355 [1,1,0,0,0,0|2,0,0]=4 1344 B5R0.5 C(=O)(C(=O)[O-])[O-] S112356 [1,1,0,0,0,0|2,0,0]=4 1345 B5R0.5 C(=O)(C(=O)[O-])[O-] S112992 [1,1,0,0,0,0|2,0,0]=4 1346 B5R0.5 C(=O)(C(=O)[O-])[O-] S117539 [1,1,0,0,0,0|2,0,0]=4 1347 B5R0.5 C(=O)(C(=O)[O-])[O-] S299314 [1,1,0,0,0,0|2,0,0]=4 1348 B5R0.5 C(=O)(C(=O)[O-])[O-] S304156 [1,1,0,0,0,0|2,0,0]=4 1349 B5R0.5 C(=O)(C(=O)[O-])[O-] T100112 [1,1,0,0,0,0|2,0,0]=4 1350 B5R0.5 C(=O)(C(=O)[O-])[O-] Y283407 [1,1,0,0,0,0|2,0,0]=4 1351 B5R0.5 C(=O)(C(=O)[O-])[O-] Z303988 [1,1,0,0,0,0|2,0,0]=4 1352 B5R0.5 C=C(C(=O)O)F F193388 [1,1,0,0,0,0|1,0,0]=3 1353 B5R0.5 CC(=C(C)C)C D107648 [1,1,0,0,0,0|1,0,1]=4 1354 B5R0.5 CC(=C)C(=C)C D155426 [1,1,0,0,0,0|1,0,0]=3 1355 B5R0.5 CC(=C)C(=O)C I107938 [1,1,0,0,0,0|0,0,0]=2 1356 B5R0.5 CC(=C)C(=O)Cl M109517 [1,1,0,0,0,0|1,0,0]=3 1357 B5R0.5 CC(=C)C(=O)Cl M299463 [1,1,0,0,0,0|1,0,0]=3 1358 B5R0.5 CC(=C)C(=O)N M104042 [1,1,0,0,0,0|1,0,0]=3 1359 B5R0.5 CC(=C)C(=O)O M102640 [1,1,0,0,0,0|1,0,0]=3 1360 B5R0.5 CC(=C)C(=O)O M102641 [1,1,0,0,0,0|1,0,0]=3 1361 B5R0.5 CC(=C)C(=O)O M102642 [1,1,0,0,0,0|1,0,0]=3 1362 B5R0.5 CC(=C)C(=O)O M434201 [1,1,0,0,0,0|1,0,0]=3 1363 B5R0.5 CC(=C)C(=O)[O-] C347801 [1,1,0,0,0,0|1,0,0]=3 1364 B5R0.5 CC(=C)C(=O)[O-] P304402 [1,1,0,0,0,0|1,0,0]=3 1365 B5R0.5 CC(=C)C(=O)[O-] P580750 [1,1,0,0,0,0|1,0,0]=3 1366 B5R0.5 CC(=C)C(=O)[O-] S103167 [1,1,0,0,0,0|1,0,0]=3 1367 B5R0.5 CC(=C)C(=O)[O-] Z102681 [1,1,0,0,0,0|1,0,0]=3 1368 B5R0.5 CC(=C)C(O)=O P477951 [1,1,0,0,0,0|1,0,0]=3 1369 B5R0.5 CC(=O)C(=O)C B104601 [1,1,0,0,0,0|0,0,1]=3 1370 B5R0.5 CC(=O)C(=O)C B104602 [1,1,0,0,0,0|0,0,1]=3 1371 B5R0.5 CC(=O)C(=O)C B104603 [1,1,0,0,0,0|0,0,1]=3 1372 B5R0.5 CC(=O)C(=O)C B432715 [1,1,0,0,0,0|0,0,1]=3 1373 B5R0.5 CC(=O)C(=O)O P104136 [1,1,0,0,0,0|1,0,0]=3 1374 B5R0.5 CC(=O)C(=O)O P104138 [1,1,0,0,0,0|1,0,0]=3 1375 B5R0.5 CC(=O)C(=O)O P421121 [1,1,0,0,0,0|1,0,0]=3 1376 B5R0.5 CC(=O)C(=O)[O-] C135949 [1,1,0,0,0,0|1,0,0]=3 1377 B5R0.5 CC(=O)C(=O)[O-] L157766 [1,1,0,0,0,0|1,0,0]=3 1378 B5R0.5 CC(=O)C(=O)[O-] P332759 [1,1,0,0,0,0|1,0,0]=3 1379 B5R0.5 CC(=O)C(=O)[O-] S104174 [1,1,0,0,0,0|1,0,0]=3 1380 B5R0.5 CC(=O)C(=O)[O-] S345696 [1,1,0,0,0,0|1,0,0]=3 1381 B5R0.5 CC(=O)N(C)C D108094 [1,1,0,0,0,0|1,0,1]=4 1382 B5R0.5 CC(=O)N(C)C D108095 [1,1,0,0,0,0|1,0,1]=4 1383 B5R0.5 CC(=O)N(C)C D108096 [1,1,0,0,0,0|1,0,1]=4 1384 B5R0.5 CC(=O)N(C)C D108098 [1,1,0,0,0,0|1,0,1]=4 1385 B5R0.5 CC(=O)N(C)C D108099 [1,1,0,0,0,0|1,0,1]=4 1386 B5R0.5 CC(=O)N(C)C D108100 [1,1,0,0,0,0|1,0,1]=4 1387 B5R0.5 CC(=O)N(C)C D119664 [1,1,0,0,0,0|1,0,1]=4 1388 B5R0.5 CC(=O)N(C)C D121274 [1,1,0,0,0,0|1,0,1]=4 1389 B5R0.5 CC(C(=O)C)Br B195163 [1,1,0,0,0,0|0,0,2]=4 1390 B5R0.5 CC(C(=O)C)Cl C136316 [1,1,0,0,0,0|0,0,2]=4 1391 B5R0.5 CC(C(=O)C)N A168580 [1,1,0,0,0,0|0,0,2]=4 1392 B5R0.5 CC(C(=O)C)O A109410 [1,1,0,0,0,0|0,0,2]=4 1393 B5R0.5 CC(C(=O)C)O A109411 [1,1,0,0,0,0|0,0,2]=4 1394 B5R0.5 CC(C(=O)C)S M102955 [1,1,0,0,0,0|0,0,2]=4 1395 B5R0.5 CC(C)C(=C)C D101515 [1,1,0,0,0,0|1,0,1]=4 1396 B5R0.5 CC(C)C(=O)C M103677 [1,1,0,0,0,0|0,0,2]=4 1397 B5R0.5 CC(C)C(=O)C M103678 [1,1,0,0,0,0|0,0,2]=4 1398 B5R0.2 C(=O)NNC=O W135234 [1,1,0,0,0,0|2,0,0]=4 1399 B5R0.2 C(C#N)OC=O C153899 [1,1,0,0,0,0|0,0,2]=4 1400 B5R0.2 C=CCCC=C C118545 [1,1,0,0,0,0|1,0,1]=4 1401 B5R0.2 C=CCCC=C H106694 [1,1,0,0,0,0|1,0,1]=4 1402 B5R0.2 C=CCCCBr B107734 [1,1,0,0,0,0|1,0,1]=4 1403 B5R0.2 C=CCCCO P103073 [1,1,0,0,0,0|1,0,1]=4 1404 B5R0.2 C=CCN=C=O A167384 [1,1,0,0,0,0|1,0,1]=4 1405 B5R0.2 C=CCOC=C A354946 [1,1,0,0,0,0|0,0,1]=3 1406 B5R0.2 C=COCCO E135293 [1,1,0,0,0,0|0,0,1]=3 1407 B5R0.2 CC=CC=CC H113628 [1,1,0,0,0,0|1,0,0]=3 1408 B5R0.2 CC=CCC=C H157263 [1,1,0,0,0,0|1,0,0]=3 1409 B5R0.2 CC=CCC=C T162375 [1,1,0,0,0,0|1,0,0]=3 1410 B5R0.2 CCC=CC=O T161487 [1,1,0,0,0,0|1,0,1]=4 1411 B5R0.2 CCCC=CC C153486 [1,1,0,0,0,0|1,0,1]=4 1412 B5R0.2 CCCC=CC H157262 [1,1,0,0,0,0|1,0,1]=4 1413 B5R0.2 CCCC=CC T162371 [1,1,0,0,0,0|1,0,1]=4 1414 B5R0.2 CCCCC=C H109530 [1,1,0,0,0,0|1,0,1]=4 1415 B5R0.2 CCCCC=C H109531 [1,1,0,0,0,0|1,0,1]=4 1416 B5R0.2 CCCCC=C H109532 [1,1,0,0,0,0|1,0,1]=4 1417 B5R0.2 CCCCC=C H109533 [1,1,0,0,0,0|1,0,1]=4 1418 B5R0.2 CCCOC=C P137362 [1,1,0,0,0,0|0,0,1]=3 1419 B5R0.2 CCCOC=O P160055 [1,1,0,0,0,0|0,0,2]=4 1420 B5R0.2 CCOC=CC E122346 [1,1,0,0,0,0|0,0,1]=3 1421 B5R0.2 CCOCC=C A151091 [1,1,0,0,0,0|0,0,1]=3 1422 B5R0.2 CSSCC=C M103119 [1,1,0,0,0,0|1,1,0]=4 1423 B5R0.2 ClCCOC=C V141139 [1,1,0,0,0,0|0,0,1]=3 1424 B7R0.2 CC(=CC(=O)OC)C M102001 [0,2,0,0,0,0|1,0,1]=4 1425 B7R0.2 CC(=CC(=O)OC)N A102015 [0,2,0,0,0,0|1,0,1]=4 1426 B7R0.2 CC(=O)/C=C(/C)O[Rh] A118542 [0,2,0,0,0,0|1,0,1]=4 1427 B7R0.2 CC(=O)/C=C(/C)O[Rh] A293954 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.2 CC(=O)CC(=O)OC M108598 [0,2,0,0,0,0|1,0,1]=4 1429 B7R0.2 CC(=O)CC(=O)OC M108599 [0,2,0,0,0,0|1,0,1]=4 1430 B7R0.2 CC(=O)CC(=O)OC M108601 [0,2,0,0,0,0|1,0,1]=4 1431 B7R0.2 CC(=O)NC(=O)NC A151230 [0,2,0,0,0,0|1,0,1]=4 1432 B7R0.2 CC(=O)OC(=C)C#N C153479 [0,2,0,0,0,0|0,0,0]=2 1433 B7R0.2 CC(C)OC(=O)C=C I589892 [0,2,0,0,0,0|1,0,1]=4 1434 B7R0.2 CC(C)OC(=O)CCl I157694 [0,2,0,0,0,0|0,0,2]=4 1435 B7R0.2 CCC(=O)CC(=O)C H192611 [0,2,0,0,0,0|1,0,1]=4 1436 B7R0.2 CCC(=O)OC(C)C I157496 [0,2,0,0,0,0|0,0,2]=4 1437 B7R0.2 CCC(C)OC(=O)C B108576 [0,2,0,0,0,0|0,0,2]=4 1438 B7R0.2 CCC(C)OC(=O)C B108578 [0,2,0,0,0,0|0,0,2]=4 1439 B7R0.2 COC(=O)CC(=O)Cl M106674 [0,2,0,0,0,0|2,0,0]=4 1440 B7R0.2 COC(=O)CC(=O)Cl M489935 [0,2,0,0,0,0|2,0,0]=4 1441 B7R0.2 COC(=O)CC(=O)Cl M615708 [0,2,0,0,0,0|2,0,0]=4 1442 B7R0.2 COC(=O)CC(=O)O M132669 [0,2,0,0,0,0|2,0,0]=4 1443 B7R0.2 COC(=O)CC(=O)[O-] H135114 [0,2,0,0,0,0|2,0,0]=4 1444 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [0,2,0,0,0,0|1,0,1]=4 1445 B7R0.3 C=CCOC(=O)C=C A151727 [0,2,0,0,0,0|0,0,1]=3 1446 B7R0.3 C=CCOC(=O)CCl A113257 [0,2,0,0,0,0|0,0,0]=2 1447 B7R0.3 CCCOC(=O)CC P111531 [0,2,0,0,0,0|0,0,2]=4 1448 B7R0.3 CCCOC(=O)CC P111532 [0,2,0,0,0,0|0,0,2]=4 1449 B7R0.3 COC(=O)C=CC=C M167458 [0,2,0,0,0,0|1,0,0]=3 1450 B7R0.3 COC(=O)C=CC=O M158237 [0,2,0,0,0,0|1,0,0]=3 1451 B7R0.3 COC(=O)C=CCBr M137638 [0,2,0,0,0,0|1,0,1]=4 1452 B7R0.3 COC(=O)C=CCBr M158855 [0,2,0,0,0,0|1,0,1]=4 1453 B7R0.3 COC(=O)CCC=C M338666 [0,2,0,0,0,0|1,0,0]=3 1454 B7R0.3 COC(=O)OCC=C A136273 [0,2,0,0,0,0|0,0,0]=2 1455 B7R0.3 COC=CC(=O)OC M105075 [0,2,0,0,0,0|1,0,1]=4 1456 B7R0.3 COC=CC(=O)OC M135197 [0,2,0,0,0,0|1,0,1]=4 1457 B7R0.5 C=CCC(C(=O)O)N A115225 [0,2,0,0,0,0|2,0,0]=4 1458 B7R0.5 C=CCC(C(=O)O)N D101189 [0,2,0,0,0,0|2,0,0]=4 1459 B7R0.5 C=CCC(C(=O)O)N D107871 [0,2,0,0,0,0|2,0,0]=4 1460 B7R0.5 C=CCC(C(=O)O)N S101123 [0,2,0,0,0,0|2,0,0]=4 1461 B7R0.5 C=CCC(C(=O)O)N S161223 [0,2,0,0,0,0|2,0,0]=4 1462 B7R0.5 CC(=C)C(=O)OC=C V162960 [0,2,0,0,0,0|0,0,0]=2 1463 B7R0.5 CC(CC=C)C(=O)O M111848 [0,2,0,0,0,0|1,0,1]=4 1464 B7R0.5 CCOC(=O)C(=C)C E103001 [0,2,0,0,0,0|0,0,2]=4 1465 B7R0.5 CCOC(=O)C(=C)C E103002 [0,2,0,0,0,0|0,0,2]=4 1466 B7R0.5 CCOC(=O)C(=C)C E492609 [0,2,0,0,0,0|0,0,2]=4 1467 B7R0.5 CCOC(=O)C(=O)C E113332 [0,2,0,0,0,0|0,0,2]=4 1468 B7R0.5 CCOC(=O)C(Br)Br E331036 [0,2,0,0,0,0|0,0,2]=4 1469 B7R0.5 CCOC(=O)C(C)Br E106089 [0,2,0,0,0,0|0,0,2]=4 1470 B7R0.5 CCOC(=O)C(C)Br E400066 [0,2,0,0,0,0|0,0,2]=4 1471 B7R0.5 CCOC(=O)C(C)C E156123 [0,2,0,0,0,0|0,0,2]=4 1472 B7R0.5 CCOC(=O)C(C)Cl E100647 [0,2,0,0,0,0|0,0,2]=4 1473 B7R0.5 CCOC(=O)C(C)F E135615 [0,2,0,0,0,0|0,0,2]=4 1474 B7R0.5 CCOC(=O)C(C)I E156364 [0,2,0,0,0,0|0,0,2]=4 1475 B7R0.5 CCOC(=O)C(C)N A109010 [0,2,0,0,0,0|0,0,2]=4 1476 B7R0.5 CCOC(=O)C(C)N A117183 [0,2,0,0,0,0|0,0,2]=4 1477 B7R0.5 CCOC(=O)C(C)N D304158 [0,2,0,0,0,0|0,0,2]=4 1478 B7R0.5 CCOC(=O)C(C)O E104551 [0,2,0,0,0,0|0,0,2]=4 1479 B7R0.5 CCOC(=O)C(C)O E104553 [0,2,0,0,0,0|0,0,2]=4 1480 B7R0.5 CCOC(=O)C(C)O E104554 [0,2,0,0,0,0|0,0,2]=4 1481 B7R0.5 CCOC(=O)C(C)O E108228 [0,2,0,0,0,0|0,0,2]=4 1482 B7R0.5 CCOC(=O)C(C)O E108230 [0,2,0,0,0,0|0,0,2]=4 1483 B7R0.5 CCOC(=O)C(C)O E465744 [0,2,0,0,0,0|0,0,2]=4 1484 B7R0.5 CCOC(=O)C(C)S E156189 [0,2,0,0,0,0|0,0,2]=4 1485 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [0,2,0,0,0,0|0,0,2]=4 1486 B7R0.5 CCOC(=O)C(F)Br E102105 [0,2,0,0,0,0|0,0,2]=4 1487 B7R0.5 CCOC(=O)C(F)Cl E138797 [0,2,0,0,0,0|0,0,2]=4 1488 B7R0.5 CCOC(=O)C(F)F E101733 [0,2,0,0,0,0|0,0,2]=4 1489 B7R0.5 CCOC(=O)C(F)F E616466 [0,2,0,0,0,0|0,0,2]=4 1490 B7R0.5 CCOC(=O)C(F)I E331038 [0,2,0,0,0,0|0,0,2]=4 1491 B7R0.7 CC=CC(=O)OC=C V162948 [0,2,0,0,0,0|0,0,0]=2 1492 B7R0.7 CCCC(=O)OC=C V162944 [0,2,0,0,0,0|0,0,0]=2 1493 B7R0.7 CCCC(=O)OCC E101116 [0,2,0,0,0,0|0,0,2]=4 1494 B7R0.7 CCCC(=O)OCC E101117 [0,2,0,0,0,0|0,0,2]=4 1495 B7R0.7 CCCC(=O)OCC E101119 [0,2,0,0,0,0|0,0,2]=4 1496 B7R0.7 CCCC(=O)OCCl C153957 [0,2,0,0,0,0|1,0,1]=4 1497 B7R0.7 CCOC(=O)C#CC E106247 [0,2,0,0,0,0|0,0,2]=4 1498 B7R0.7 CCOC(=O)C=CC E156252 [0,2,0,0,0,0|0,0,2]=4 1499 B7R0.7 CCOC(=O)C=C[O-] E176875 [0,2,0,0,0,0|2,0,0]=4 1500 B7R0.7 CCOC(=O)CC#N E105739 [0,2,0,0,0,0|0,0,2]=4 1501 B7R0.7 CCOC(=O)CC#N E105740 [0,2,0,0,0,0|0,0,2]=4 1502 B7R0.7 CCOC(=O)CC=C E587504 [0,2,0,0,0,0|1,0,0]=3 1503 B7R0.7 CCOC(=O)CCBr E106956 [0,2,0,0,0,0|0,0,2]=4 1504 B7R0.7 CCOC(=O)CCCl E100652 [0,2,0,0,0,0|0,0,2]=4 1505 B7R0.7 CCOC(=O)CCI E185756 [0,2,0,0,0,0|0,0,2]=4 1506 B7R0.7 CCOC(=O)CCN A100434 [0,2,0,0,0,0|0,0,2]=4 1507 B7R0.7 CCOC(=O)CCO E185621 [0,2,0,0,0,0|0,0,2]=4 1508 B7R0.7 CCOC(=O)CCS E119585 [0,2,0,0,0,0|0,0,2]=4 1509 B7R0.7 CCOC(=O)CC[CH2-] E465885 [0,2,0,0,0,0|0,0,2]=4 1510 B7R0.7 CCOC(=O)CNC E115901 [0,2,0,0,0,0|0,0,2]=4 1511 B7R0.7 CCOC(=O)CNN E134414 [0,2,0,0,0,0|0,0,2]=4 1512 B7R0.7 CCOC(=O)COC E136304 [0,2,0,0,0,0|0,0,2]=4 1513 B7R0.7 CCOC(=O)CSC E156475 [0,2,0,0,0,0|0,0,2]=4 1514 B7R0.7 CCOC(=O)C[N+]#[C-] E156037 [0,2,0,0,0,0|0,0,2]=4 1515 B7R0.7 CCOC(=O)C[N+]#[C-] E400243 [0,2,0,0,0,0|0,0,2]=4 1516 B7R0.7 CCOC(=O)OCC D103040 [0,2,0,0,0,0|0,0,2]=4 1517 B7R0.7 CCOC(=O)OCCl C192930 [0,2,0,0,0,0|0,0,2]=4 1518 B7R0.10 CC=C(C)C(=O)OC M158196 [0,2,0,0,0,0|1,0,1]=4 1519 B7R0.11 CC(C)(CC=C)C=O D299504 [0,2,0,0,0,0|1,0,1]=4 1520 B7R0.9 CC(=C)O[Si](C)(C)C I157569 [0,2,0,0,0,0|1,1,0]=4 1521 B7R0.9 CC(=O)OC(C)(C)C B110958 [0,2,0,0,0,0|0,0,2]=4 1522 B7R0.9 CC(=O)O[Si](C)(C)C T114036 [0,2,0,0,0,0|0,1,1]=4 1523 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [0,2,0,0,0,0|1,0,1]=4 1524 B7R0.4 C=CCCCC(=O)O H157078 [0,2,0,0,0,0|2,0,0]=4 1525 B7R0.4 CC(=O)OCCCCl C135233 [0,2,0,0,0,0|0,0,2]=4 1526 B7R0.4 CC(=O)OCCOC M106167 [0,2,0,0,0,0|0,0,2]=4 1527 B7R0.4 CC=CC=CC(=O)C H156931 [0,2,0,0,0,0|1,0,0]=3 1528 B7R0.4 CC=CC=CC(=O)O H431430 [0,2,0,0,0,0|2,0,0]=4 1529 B7R0.4 CC=CC=CC(=O)O S101106 [0,2,0,0,0,0|2,0,0]=4 1530 B7R0.4 CC=CC=CC(=O)O S101108 [0,2,0,0,0,0|2,0,0]=4 1531 B7R0.4 CC=CC=CC(=O)O S101109 [0,2,0,0,0,0|2,0,0]=4 1532 B7R0.4 CC=CC=CC(=O)O S101111 [0,2,0,0,0,0|2,0,0]=4 1533 B7R0.4 CC=CC=CC(=O)O S420601 [0,2,0,0,0,0|2,0,0]=4 1534 B7R0.4 CC=CC=CC(=O)[O-] P103845 [0,2,0,0,0,0|2,0,0]=4 1535 B7R0.4 CC=CC=CC(=O)[O-] P103846 [0,2,0,0,0,0|2,0,0]=4 1536 B7R0.4 CC=CC=CC(=O)[O-] P103847 [0,2,0,0,0,0|2,0,0]=4 1537 B7R0.4 CC=CC=CC(=O)[O-] P422842 [0,2,0,0,0,0|2,0,0]=4 1538 B7R0.4 CC=CC=CC(=O)[O-] S161310 [0,2,0,0,0,0|2,0,0]=4 1539 B7R0.4 CCC=CCC(=O)O H101494 [0,2,0,0,0,0|2,0,0]=4 1540 B7R0.4 CCCC=CC(=O)C H156932 [0,2,0,0,0,0|1,0,1]=4 1541 B7R0.4 CCCCOC(=O)C B116224 [0,2,0,0,0,0|0,0,2]=4 1542 B7R0.4 CCCCOC(=O)C B116225 [0,2,0,0,0,0|0,0,2]=4 1543 B7R0.4 CCCCOC(=O)C B116227 [0,2,0,0,0,0|0,0,2]=4 1544 B7R0.4 CCCCOC(=O)C B116228 [0,2,0,0,0,0|0,0,2]=4 1545 B7R0.4 CCCCOC(=O)C B119685 [0,2,0,0,0,0|0,0,2]=4 1546 B7R0.4 CCOCCC(=O)C E156453 [0,2,0,0,0,0|0,0,2]=4 1547 B7R0.6 C(=CC(=O)Cl)C(=O)Cl F136211 [0,2,0,0,0,0|2,0,0]=4 1548 B7R0.6 C(=CC(=O)N)C(=O)N F156723 [0,2,0,0,0,0|2,0,0]=4 1549 B7R0.6 C(=CC(=O)N)C(=O)N M278875 [0,2,0,0,0,0|2,0,0]=4 1550 B7R0.6 C(=CC(=O)O)C(=O)N M158400 [0,2,0,0,0,0|2,0,0]=4 1551 B7R0.6 C(=CC(=O)O)C(=O)O A100862 [0,2,0,0,0,0|2,0,0]=4 1552 B7R0.6 C(=CC(=O)O)C(=O)O F110741 [0,2,0,0,0,0|2,0,0]=4 1553 B7R0.6 C(=CC(=O)O)C(=O)O F110742 [0,2,0,0,0,0|2,0,0]=4 1554 B7R0.6 C(=CC(=O)O)C(=O)O F118459 [0,2,0,0,0,0|2,0,0]=4 1555 B7R0.6 C(=CC(=O)O)C(=O)O F336547 [0,2,0,0,0,0|2,0,0]=4 1556 B7R0.6 C(=CC(=O)O)C(=O)O F420591 [0,2,0,0,0,0|2,0,0]=4 1557 B7R0.6 C(=CC(=O)O)C(=O)O F471975 [0,2,0,0,0,0|2,0,0]=4 1558 B7R0.6 C(=CC(=O)O)C(=O)O M108864 [0,2,0,0,0,0|2,0,0]=4 1559 B7R0.6 C(=CC(=O)O)C(=O)O M108865 [0,2,0,0,0,0|2,0,0]=4 1560 B7R0.6 C(=CC(=O)O)C(=O)O M108866 [0,2,0,0,0,0|2,0,0]=4 1561 B7R0.6 C(=CC(=O)O)C(=O)O M420590 [0,2,0,0,0,0|2,0,0]=4 1562 B7R0.6 C(=CC(=O)O)C(=O)O P100894 [0,2,0,0,0,0|2,0,0]=4 1563 B7R0.6 C(=CC(=O)O)C(=O)O P192380 [0,2,0,0,0,0|2,0,0]=4 1564 B7R0.6 C(=CC(=O)[O-])C(=O)O M158061 [0,2,0,0,0,0|2,0,0]=4 1565 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] D154295 [0,2,0,0,0,0|2,0,0]=4 1566 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] I302832 [0,2,0,0,0,0|2,0,0]=4 1567 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] M134639 [0,2,0,0,0,0|2,0,0]=4 1568 B7R0.6 CC(=C)CCC(=C)C D155280 [0,2,0,0,0,0|2,0,0]=4 1569 B7R0.6 CC(=C)COC(=O)C M158238 [0,2,0,0,0,0|0,0,0]=2 1570 B7R0.6 CC(=CC=C(C)C)C D103154 [0,2,0,0,0,0|2,0,0]=4 1571 B7R0.6 CC(=O)CCC(=O)C H106697 [0,2,0,0,0,0|1,0,1]=4 1572 B7R0.6 CC(=O)CCC(=O)C H106698 [0,2,0,0,0,0|1,0,1]=4 1573 B7R0.6 CC(=O)CCC(=O)C H106699 [0,2,0,0,0,0|1,0,1]=4 1574 B7R0.6 CC(=O)CCC(=O)O L104281 [0,2,0,0,0,0|1,0,1]=4 1575 B7R0.6 CC(=O)CCC(=O)O L278641 [0,2,0,0,0,0|1,0,1]=4 1576 B7R0.6 CC(=O)CCC(=O)O L298748 [0,2,0,0,0,0|1,0,1]=4 1577 B7R0.6 CC(=O)CCC(=O)O L421026 [0,2,0,0,0,0|1,0,1]=4 1578 B7R0.6 CC(=O)COC(=O)C A151657 [0,2,0,0,0,0|0,0,1]=3 1579 B7R0.6 CC(=O)NCC(=O)O A103973 [0,2,0,0,0,0|1,0,1]=4 1580 B7R0.6 CC(=O)OCC(=O)Cl A100732 [0,2,0,0,0,0|0,0,1]=3 1581 B7R0.6 CC(=O)OCC(=O)O A167143 [0,2,0,0,0,0|0,0,1]=3 1582 B7R0.6 CC(=O)OCC(F)F D154397 [0,2,0,0,0,0|0,0,2]=4 1583 B7R0.6 CC(=O)SCC(=O)O S131714 [0,2,0,0,0,0|0,1,1]=4 1584 B7R0.6 CC(C)C=CC(=O)C M170732 [0,2,0,0,0,0|1,0,1]=4 1585 B7R0.6 CC(C)COC(=O)C I110418 [0,2,0,0,0,0|0,0,2]=4 1586 B7R0.6 CC(C)COC(=O)C I110419 [0,2,0,0,0,0|0,0,2]=4 1587 B7R0.8 C[Si](C)(C)OCC=C A151337 [0,2,0,0,0,0|1,1,0]=4 1588 B5R1.2 C1C(=O)CN1 A174998 [1,0,0,1,0,0|1,0,1]=4 1589 B5R1.2 C1C(=O)CO1 O129097 [1,0,0,1,0,0|1,0,1]=4 1590 B5R1.2 C1CC(=O)C1 C107836 [1,0,0,1,0,0|0,0,2]=4 1591 B5R1.2 C1CNC1=O A139449 [1,0,0,1,0,0|1,0,1]=4 1592 B5R1.2 C1COC1=O P109567 [1,0,0,1,0,0|0,0,1]=3 1593 B5R1.3 C=CC1CO1 V100986 [1,0,0,1,0,0|0,0,2]=4 1594 B5R1.1 C1=CN=CN1 I108704 [1,0,0,1,0,0|2,0,0]=4 1595 B5R1.1 C1=CN=CN1 I108705 [1,0,0,1,0,0|2,0,0]=4 1596 B5R1.1 C1=CN=CN1 I108706 [1,0,0,1,0,0|2,0,0]=4 1597 B5R1.1 C1=CN=CN1 I108707 [1,0,0,1,0,0|2,0,0]=4 1598 B5R1.1 C1=CN=CN1 I119539 [1,0,0,1,0,0|2,0,0]=4 1599 B5R1.1 C1=CN=CN1 I120637 [1,0,0,1,0,0|2,0,0]=4 1600 B5R1.1 C1=CN=CN1 I157487 [1,0,0,1,0,0|2,0,0]=4 1601 B5R1.1 C1=CN=CN1 I157495 [1,0,0,1,0,0|2,0,0]=4 1602 B5R1.1 C1=CN=CN1 I423011 [1,0,0,1,0,0|2,0,0]=4 1603 B5R1.1 C1=CN=CN1 I432537 [1,0,0,1,0,0|2,0,0]=4 1604 B5R1.1 C1=CN=CN1 I432539 [1,0,0,1,0,0|2,0,0]=4 1605 B5R1.1 C1=CN=CN1 I432546 [1,0,0,1,0,0|2,0,0]=4 1606 B5R1.1 C1=CN=CN1 I485681 [1,0,0,1,0,0|2,0,0]=4 1607 B5R1.1 C1=CNC=C1 P104877 [1,0,0,1,0,0|1,0,1]=4 1608 B5R1.1 C1=CNC=C1 P104878 [1,0,0,1,0,0|1,0,1]=4 1609 B5R1.1 C1=CNC=C1 P104879 [1,0,0,1,0,0|1,0,1]=4 1610 B5R1.1 C1=CNC=C1 P476183 [1,0,0,1,0,0|1,0,1]=4 1611 B5R1.1 C1=CNC=C1 P476334 [1,0,0,1,0,0|1,0,1]=4 1612 B5R1.1 C1=COC=N1 O100893 [1,0,0,1,0,0|1,0,0]=3 1613 B5R1.1 C1=CON=C1 I133354 [1,0,0,1,0,0|1,0,1]=4 1614 B5R1.1 C1=CSC=C1 T108258 [1,0,0,1,0,0|0,1,1]=4 1615 B5R1.1 C1=CSC=C1 T108259 [1,0,0,1,0,0|0,1,1]=4 1616 B5R1.1 C1=CSC=N1 T122421 [1,0,0,1,0,0|1,1,0]=4 1617 B5R1.1 C1C=CC=[C-]1 B283543 [1,0,0,1,0,0|1,0,1]=4 1618 B5R1.1 C1C=CC=[C-]1 H157415 [1,0,0,1,0,0|1,0,1]=4 1619 B5R1.1 C1C=CC=[C-]1 T106759 [1,0,0,1,0,0|1,0,1]=4 1620 B5R1.1 C1C=CCN1 D139123 [1,0,0,1,0,0|2,0,0]=4 1621 B5R1.1 C1C=CCN1 p103550 [1,0,0,1,0,0|2,0,0]=4 1622 B5R1.1 C1C=CCO1 D101471 [1,0,0,1,0,0|2,0,0]=4 1623 B5R1.1 C1CC=CC1 C104477 [1,0,0,1,0,0|1,0,1]=4 1624 B5R1.1 C1CC=CC1 C104479 [1,0,0,1,0,0|1,0,1]=4 1625 B5R1.1 C1CC=CC1 C104480 [1,0,0,1,0,0|1,0,1]=4 1626 B5R1.1 C1COC=C1 D106435 [1,0,0,1,0,0|0,0,1]=3 1627 B5R1.1 [CH-]1C=CC=C1 B115565 [1,0,0,1,0,0|1,0,1]=4 1628 B5R1.1 [CH-]1C=CC=C1 C113788 [1,0,0,1,0,0|1,0,1]=4 1629 B5R1.1 [CH-]1C=CC=C1 C299989 [1,0,0,1,0,0|1,0,1]=4 1630 B5R1.1 [CH-]1C=CC=C1 F108389 [1,0,0,1,0,0|1,0,1]=4 1631 B5R1.1 [CH-]1C=CC=C1 F108390 [1,0,0,1,0,0|1,0,1]=4 1632 B5R1.1 [CH-]1C=CC=C1 T283036 [1,0,0,1,0,0|1,0,1]=4 1633 B5R1.1 [CH-]1C=CC=C1 Z103200 [1,0,0,1,0,0|1,0,1]=4 1634 B7R1.1 C1=CN=C(N1)CN A168767 [0,1,0,1,0,0|2,0,0]=4 1635 B7R1.1 C1=CNC(=C1)C=O P123130 [0,1,0,1,0,0|1,0,1]=4 1636 B7R1.1 C1=COC(=C1)C#N F139092 [0,1,0,1,0,0|1,0,1]=4 1637 B7R1.1 C1=COC(=C1)C=O F100546 [0,1,0,1,0,0|0,0,1]=3 1638 B7R1.1 C1=COC(=C1)C=O F100547 [0,1,0,1,0,0|0,0,1]=3 1639 B7R1.1 C1=COC(=C1)C=O F100548 [0,1,0,1,0,0|0,0,1]=3 1640 B7R1.1 C1=COC(=C1)C=O F336820 [0,1,0,1,0,0|0,0,1]=3 1641 B7R1.1 C1=COC(=C1)CN F111778 [0,1,0,1,0,0|1,0,0]=3 1642 B7R1.1 C1=COC(=C1)CN F493732 [0,1,0,1,0,0|1,0,0]=3 1643 B7R1.1 C1=COC(=C1)CO F110603 [0,1,0,1,0,0|1,0,0]=3 1644 B7R1.1 C1=COC(=C1)CO F110604 [0,1,0,1,0,0|1,0,0]=3 1645 B7R1.1 C1=COC(=C1)CS F102900 [0,1,0,1,0,0|1,0,0]=3 1646 B7R1.1 C1=CSC(=C1)C=O T107122 [0,1,0,1,0,0|0,1,1]=4 1647 B7R1.1 C1=CSC(=C1)CN T107120 [0,1,0,1,0,0|1,1,0]=4 1648 B7R1.1 C1=CSC(=C1)CO T162809 [0,1,0,1,0,0|1,1,0]=4 1649 B7R1.1 C1=CSC(=C1)CS T134394 [0,1,0,1,0,0|1,1,0]=4 1650 B7R1.1 C1=CSC(=N1)C=O T107968 [0,1,0,1,0,0|1,1,0]=4 1651 B7R1.1 C1=CSC(=N1)CO H157271 [0,1,0,1,0,0|1,1,0]=4 1652 B7R1.1 CCC1=CC=CN1 E156214 [0,1,0,1,0,0|2,0,0]=4 1653 B7R1.1 CCC1=CC=CO1 E102538 [0,1,0,1,0,0|1,0,0]=3 1654 B7R1.1 CCC1=CC=CO1 E141264 [0,1,0,1,0,0|1,0,0]=3 1655 B7R1.1 CCC1=CC=CS1 E101589 [0,1,0,1,0,0|1,1,0]=4 1656 B7R1.1 CCC1=CC=C[CH-]1 D166828 [0,1,0,1,0,0|2,0,0]=4 1657 B7R1.1 CCC1=NC=CN1 E137989 [0,1,0,1,0,0|2,0,0]=4 1658 B7R1.1 COC1=CC=CO1 M158540 [0,1,0,1,0,0|1,0,0]=3 1659 B7R1.1 COC1=CC=CS1 M103170 [0,1,0,1,0,0|1,1,0]=4 1660 B7R1.1 COC1=NC=CS1 M158486 [0,1,0,1,0,0|1,1,0]=4 1661 B7R1.1 CSC1=CC=CS1 M123048 [0,1,0,1,0,0|1,1,0]=4 1662 B7R1.1 CSC1=NC=CS1 M158485 [0,1,0,1,0,0|1,1,0]=4 1663 B7R1.2 C1=C(OC(=C1)Br)Br D154954 [0,1,0,1,0,0|1,0,1]=4 1664 B7R1.2 C1=CC(=O)NC1=O M100788 [0,1,0,1,0,0|1,0,1]=4 1665 B7R1.2 C1=CC(=O)NC1=O M424627 [0,1,0,1,0,0|1,0,1]=4 1666 B7R1.2 C1=CC(=O)OC1=O M116389 [0,1,0,1,0,0|0,0,1]=3 1667 B7R1.2 C1=CC(=O)OC1=O M332470 [0,1,0,1,0,0|0,0,1]=3 1668 B7R1.2 C1=CC(=O)OC1=O P134891 [0,1,0,1,0,0|0,0,1]=3 1669 B7R1.2 C1=CC(=O)OC1=O P303284 [0,1,0,1,0,0|0,0,1]=3 1670 B7R1.2 C1=CC(=O)OC1=O P304899 [0,1,0,1,0,0|0,0,1]=3 1671 B7R1.2 C1=CC(=O)OC1=O P434514 [0,1,0,1,0,0|0,0,1]=3 1672 B7R1.2 C1=CC(=O)OC1=O P434525 [0,1,0,1,0,0|0,0,1]=3 1673 B7R1.2 C1=CC(=O)OC1=O P434526 [0,1,0,1,0,0|0,0,1]=3 1674 B7R1.2 C1=CC(=O)OC1=O P493757 [0,1,0,1,0,0|0,0,1]=3 1675 B7R1.2 C1=CC(=O)OC1O H302820 [0,1,0,1,0,0|0,0,2]=4 1676 B7R1.2 C1C(=CC(=O)O1)O T103765 [0,1,0,1,0,0|0,0,2]=4 1677 B7R1.2 C1C(=O)C=CC1=O C356087 [0,1,0,1,0,0|1,0,0]=3 1678 B7R1.2 C1C(=O)COC1=O T101326 [0,1,0,1,0,0|0,0,1]=3 1679 B7R1.2 C1C(=O)N=C(S1)N A168665 [0,1,0,1,0,0|2,0,0]=4 1680 B7R1.2 C1C(=O)N=C(S1)N A193919 [0,1,0,1,0,0|2,0,0]=4 1681 B7R1.2 C1C(=O)NC(=O)N1 H100923 [0,1,0,1,0,0|2,0,0]=4 1682 B7R1.2 C1C(=O)NC(=O)S1 T109725 [0,1,0,1,0,0|2,0,0]=4 1683 B7R1.2 C1C(=O)NC(=S)N1 T135932 [0,1,0,1,0,0|2,0,0]=4 1684 B7R1.2 C1C(=O)NC(=S)S1 R104132 [0,1,0,1,0,0|2,0,0]=4 1685 B7R1.2 C1C(=O)NC(=S)S1 R104133 [0,1,0,1,0,0|2,0,0]=4 1686 B7R1.2 C1C(=O)OC(=O)N1 O132967 [0,1,0,1,0,0|1,0,0]=3 1687 B7R1.2 C1C(C=CC1=O)O H492879 [0,1,0,1,0,0|1,0,1]=4 1688 B7R1.2 C1C(COC1=O)N R189910 [0,1,0,1,0,0|0,0,2]=4 1689 B7R1.2 C1C(COC1=O)N S189909 [0,1,0,1,0,0|0,0,2]=4 1690 B7R1.2 C1C(COC1=O)O H107941 [0,1,0,1,0,0|0,0,2]=4 1691 B7R1.2 C1C(OC(=O)O1)Cl C154009 [0,1,0,1,0,0|1,0,1]=4 1692 B7R1.2 C1C(OC(=O)O1)Cl C298772 [0,1,0,1,0,0|1,0,1]=4 1693 B7R1.2 C1C(OC(=O)O1)F F120339 [0,1,0,1,0,0|1,0,1]=4 1694 B7R1.2 C1CC(=O)CC1=O C138777 [0,1,0,1,0,0|1,0,1]=4 1695 B7R1.2 C1CC(=O)NC1=O S104077 [0,1,0,1,0,0|1,0,1]=4 1696 B7R1.2 C1CC(=O)NC1=O S104079 [0,1,0,1,0,0|1,0,1]=4 1697 B7R1.2 C1CC(=O)OC1=O S104823 [0,1,0,1,0,0|0,0,1]=3 1698 B7R1.2 C1CC(=O)OC1=O S104824 [0,1,0,1,0,0|0,0,1]=3 1699 B7R1.2 CC1=CC(=CN1)C D123132 [0,1,0,1,0,0|2,0,0]=4 1700 B7R1.2 CC1=CC(=CS1)Br B111413 [0,1,0,1,0,0|1,1,0]=4 1701 B7R1.2 CC1=CC(=CS1)C D304246 [0,1,0,1,0,0|1,1,0]=4 1702 B7R1.2 CC1=CC(=NO1)C D122898 [0,1,0,1,0,0|1,0,1]=4 1703 B7R1.2 CC1=CC(=NO1)N A151654 [0,1,0,1,0,0|2,0,0]=4 1704 B7R1.2 CC1=CC(=O)CC1 M109537 [0,1,0,1,0,0|1,0,1]=4 1705 B7R1.2 CC1=CC(=O)NO1 BWY397355 [0,1,0,1,0,0|0,0,2]=4 1706 B7R1.2 CC1=CC(=O)NO1 BWY397369 [0,1,0,1,0,0|0,0,2]=4 1707 B7R1.2 CC1=CC(=O)NO1 BWY397380 [0,1,0,1,0,0|0,0,2]=4 1708 B7R1.2 CC1=CC(=O)NO1 H109938 [0,1,0,1,0,0|0,0,2]=4 1709 B7R1.2 CC1=CC(=O)NO1 H140830 [0,1,0,1,0,0|0,0,2]=4 1710 B7R1.2 CC1=CC(=O)OC1 M158202 [0,1,0,1,0,0|0,0,2]=4 1711 B7R1.2 CC1=CC=C(N1)C D113404 [0,1,0,1,0,0|2,0,0]=4 1712 B7R1.2 CC1=CC=C(O1)C D113405 [0,1,0,1,0,0|1,0,0]=3 1713 B7R1.2 CC1=CC=C(S1)Br B101591 [0,1,0,1,0,0|1,1,0]=4 1714 B7R1.2 CC1=CC=C(S1)C D155809 [0,1,0,1,0,0|1,1,0]=4 1715 B7R1.2 CC1=CC=C(S1)Cl C153324 [0,1,0,1,0,0|1,1,0]=4 1716 B7R1.2 CC1=CC=C(S1)I I101863 [0,1,0,1,0,0|1,1,0]=4 1717 B7R1.2 CC1=CCC(=O)O1 A151155 [0,1,0,1,0,0|0,0,0]=2 1718 B7R1.2 CC1=CCC(=O)O1 A433012 [0,1,0,1,0,0|0,0,0]=2 1719 B7R1.2 CC1=CN=C(N1)C D139451 [0,1,0,1,0,0|2,0,0]=4 1720 B7R1.2 CC1=COC(=N1)C D139217 [0,1,0,1,0,0|1,0,0]=3 1721 B7R1.2 CC1=COC(=N1)N M588855 [0,1,0,1,0,0|2,0,0]=4 1722 B7R1.2 CC1=CSC(=N1)C D119299 [0,1,0,1,0,0|1,1,0]=4 1723 B7R1.2 CC1=NC(=CS1)Br B176047 [0,1,0,1,0,0|1,1,0]=4 1724 B7R1.2 CC1=NC(=NO1)N M170183 [0,1,0,1,0,0|2,0,0]=4 1725 B7R1.2 CC1=NC=C(N1)Br B181890 [0,1,0,1,0,0|2,0,0]=4 1726 B7R1.2 CC1=NC=C(S1)Br B344998 [0,1,0,1,0,0|1,1,0]=4 1727 B7R1.2 CC1=NN=C(O1)Br B590400 [0,1,0,1,0,0|2,0,0]=4 1728 B7R1.2 CC1=NN=C(O1)N M193769 [0,1,0,1,0,0|2,0,0]=4 1729 B7R1.2 CC1=NNC(=O)C1 M121614 [0,1,0,1,0,0|1,0,1]=4 1730 B7R1.2 CC1=NOC(=C1)N A151656 [0,1,0,1,0,0|2,0,0]=4 1731 B7R1.2 CC1CCC(=O)O1 V106294 [0,1,0,1,0,0|0,0,2]=4 1732 B7R1.2 CC1COC(=O)O1 P105723 [0,1,0,1,0,0|0,0,2]=4 1733 B7R1.2 CC1COC(=O)O1 P105724 [0,1,0,1,0,0|0,0,2]=4 1734 B7R1.2 CC1COC(=O)O1 P105725 [0,1,0,1,0,0|0,0,2]=4 1735 B7R1.2 CC1COC(=O)O1 P105726 [0,1,0,1,0,0|0,0,2]=4 1736 B7R1.2 CC1COC(=O)O1 P122960 [0,1,0,1,0,0|0,0,2]=4 1737 B7R1.2 CC1COC(=O)O1 S135940 [0,1,0,1,0,0|0,0,2]=4 1738 B7R1.3 C1=CC(=O)NC=C1 H108693 [0,1,0,1,0,0|1,0,1]=4 1739 B7R1.3 C1=CC(=O)NC=C1 H421556 [0,1,0,1,0,0|1,0,1]=4 1740 B7R1.3 C1=CC(=O)NN=C1 P119352 [0,1,0,1,0,0|1,0,1]=4 1741 B7R1.3 C1=CC(=O)OC=C1 A136345 [0,1,0,1,0,0|0,0,1]=3 1742 B7R1.3 C1=CN=CC(=O)N1 H134514 [0,1,0,1,0,0|1,0,1]=4 1743 B7R1.3 C1=CN=CC(=O)N1 P586771 [0,1,0,1,0,0|1,0,1]=4 1744 B7R1.3 C1=CN=CNC1=O H135948 [0,1,0,1,0,0|1,0,1]=4 1745 B7R1.3 C1=CN=CNC1=O P589344 [0,1,0,1,0,0|1,0,1]=4 1746 B7R1.3 C1=CNC(=O)N=C1 H111812 [0,1,0,1,0,0|1,0,1]=4 1747 B7R1.3 C1=CNC(=O)N=C1 P303873 [0,1,0,1,0,0|1,0,1]=4 1748 B7R1.3 C1=CNC=CC1=O H106341 [0,1,0,1,0,0|1,0,1]=4 1749 B7R1.3 C1=COC=CC1=O H157137 [0,1,0,1,0,0|1,0,1]=4 1750 B7R1.3 C1CC(=O)COC1 O175840 [0,1,0,1,0,0|0,0,2]=4 1751 B7R1.3 C1CCOC(=O)C1 V100560 [0,1,0,1,0,0|0,0,2]=4 1752 B7R1.3 C1CNC(=O)OC1 O170792 [0,1,0,1,0,0|0,0,2]=4 1753 B7R1.3 C1COC(=O)C=C1 D155403 [0,1,0,1,0,0|0,0,2]=4 1754 B7R1.3 C1COC(=O)CO1 D122246 [0,1,0,1,0,0|0,0,2]=4 1755 B7R1.3 C1COC(=O)OC1 D155394 [0,1,0,1,0,0|0,0,2]=4 1756 B7R1.3 CC1=CC=CC=C1 T102274 [0,1,0,1,0,0|2,0,0]=4 1757 B7R1.3 CC1=CC=CC=C1 T102275 [0,1,0,1,0,0|2,0,0]=4 1758 B7R1.3 CC1=CC=CC=C1 T102276 [0,1,0,1,0,0|2,0,0]=4 1759 B7R1.3 CC1=CC=CC=C1 T399619 [0,1,0,1,0,0|2,0,0]=4 1760 B7R1.3 CC1=CC=CC=C1 T399633 [0,1,0,1,0,0|2,0,0]=4 1761 B7R1.3 CC1=CC=CC=C1 T399640 [0,1,0,1,0,0|2,0,0]=4 1762 B7R1.3 CC1=CC=CC=C1 T399643 [0,1,0,1,0,0|2,0,0]=4 1763 B7R1.3 CC1=CC=CC=C1 T399652 [0,1,0,1,0,0|2,0,0]=4 1764 B7R1.3 CC1=CC=CC=C1 T399677 [0,1,0,1,0,0|2,0,0]=4 1765 B7R1.3 CC1=CC=CC=C1 T399681 [0,1,0,1,0,0|2,0,0]=4 1766 B7R1.3 CC1=CC=CC=N1 M108694 [0,1,0,1,0,0|2,0,0]=4 1767 B7R1.3 CC1=CC=CC=N1 M108695 [0,1,0,1,0,0|2,0,0]=4 1768 B7R1.3 CC1=CC=CC=N1 P122349 [0,1,0,1,0,0|2,0,0]=4 1769 B7R1.3 CC1=CC=NC=C1 P105226 [0,1,0,1,0,0|2,0,0]=4 1770 B7R1.3 CC1=CCC=CC1 M113652 [0,1,0,1,0,0|2,0,0]=4 1771 B7R1.3 CC1=CN=CC=C1 P109209 [0,1,0,1,0,0|2,0,0]=4 1772 B7R1.3 CC1=CN=CC=C1 P109210 [0,1,0,1,0,0|2,0,0]=4 1773 B7R1.3 CC1=NC=CN=C1 M158369 [0,1,0,1,0,0|2,0,0]=4 1774 B7R1.3 CC1=NC=NC=C1 M134934 [0,1,0,1,0,0|2,0,0]=4 1775 B7R1.3 CC1=NN=CC=C1 M131781 [0,1,0,1,0,0|2,0,0]=4 1776 B7R1.3 Cc1ccccn1 M141144 [0,1,0,1,0,0|2,0,0]=4 1777 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,1,0,1,0,0|1,0,1]=4 1778 B7R1.4 C1COC(=O)C1Br B107924 [0,1,0,1,0,0|0,0,2]=4 1779 B7R1.4 C1COC(=O)C1N A101211 [0,1,0,1,0,0|0,0,2]=4 1780 B7R1.4 C1COC(=O)C1N I167498 [0,1,0,1,0,0|0,0,2]=4 1781 B7R1.4 C1COC(=O)C1N R137962 [0,1,0,1,0,0|0,0,2]=4 1782 B7R1.4 C1COC(=O)C1O H113417 [0,1,0,1,0,0|0,0,2]=4 1783 B7R1.4 C1COC(=O)C1O R591020 [0,1,0,1,0,0|0,0,2]=4 1784 B7R1.4 C1COC(=O)C1O S161076 [0,1,0,1,0,0|0,0,2]=4 1785 B7R1.4 CC1=C(C=CO1)S M102912 [0,1,0,1,0,0|0,1,0]=3 1786 B7R1.4 CC1=C(C=CS1)Br B183547 [0,1,0,1,0,0|1,1,0]=4 1787 B7R1.4 CC1=C(SC=C1)Br B103181 [0,1,0,1,0,0|1,1,0]=4 1788 B7R1.4 CC1=C(SC=C1)C D135046 [0,1,0,1,0,0|1,1,0]=4 1789 B7R1.4 CC1=C(SC=C1)Cl C101382 [0,1,0,1,0,0|1,1,0]=4 1790 B7R1.4 CC1=CCCC1=O M165952 [0,1,0,1,0,0|1,0,1]=4 1791 B7R1.4 CC1=CCOC1=O M158201 [0,1,0,1,0,0|0,0,1]=3 1792 B7R1.4 CC1=NC=CN1C D106351 [0,1,0,1,0,0|2,0,0]=4 1793 B7R1.4 CC1CCOC1=O A151225 [0,1,0,1,0,0|0,0,2]=4 1794 B7R1.4 CN1C(=O)C=CN1 H133658 [0,1,0,1,0,0|2,0,0]=4 1795 B7R1.4 CN1C(=O)C=CS1 M110103 [0,1,0,1,0,0|1,1,0]=4 1796 B7R1.4 CN1C(=O)C=CS1 M132907 [0,1,0,1,0,0|1,1,0]=4 1797 B7R1.4 CN1C(=O)CC=N1 M586169 [0,1,0,1,0,0|2,0,0]=4 1798 B7R1.4 CN1C=CN=C1Br B167785 [0,1,0,1,0,0|2,0,0]=4 1799 B7R1.4 CN1C=CN=C1Cl C183175 [0,1,0,1,0,0|2,0,0]=4 1800 B7R1.4 CN1C=CN=C1I I184073 [0,1,0,1,0,0|2,0,0]=4 1801 B7R1.4 CN1C=CNC1=S M106466 [0,1,0,1,0,0|1,1,0]=4 1802 B7R1.4 CN1C=CNC1=S M407769 [0,1,0,1,0,0|1,1,0]=4 1803 B7R1.4 CN1CCOC1=O M132701 [0,1,0,1,0,0|0,0,2]=4 1804 B7R1.14 C1C=CCS1(=O)=O S161353 [0,1,0,1,0,0|2,0,0]=4 1805 B7R1.14 C1C=CS(=O)(=O)O1 P192073 [0,1,0,1,0,0|2,0,0]=4