0 B6R0.3 C=C(F)C(=O)OC AM20120633 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 C=CC(=O)N(C)C AM84856 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 CC(=O)C(=O)CBr AMY23002 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 CC(=O)C(=O)CCl AMY42031 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CC(C)C(=O)NN AMY3958 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 CCC(=O)C(=O)O AM90224 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CCC(=O)N(C)C AMY38676 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 CCN(O)C(C)=O AMY33549 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CN(C)C(=O)CCl AM84854 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.3 CN(C)C(=O)CI AM805909 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.3 CN(C)C(=O)CN AM20100689 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CN(C)C(=O)CN AMY4281 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 COC(=O)C(=N)N AM804117 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 COC(=O)C(C)=O AMY40825 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.3 COC(=O)C(F)F AMY3631 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 COC(=O)[C@H](C)Br AMY21873 [0,0,0,0,0,0|1,0,1]=2 19 B6R0.3 COC(=O)[C@H](C)Cl AM81434 [0,0,0,0,0,0|1,0,1]=2 20 B6R0.3 COC(=O)[C@H](C)Cl AM81435 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.3 COC(=O)[C@H](C)Cl AMY3875 [0,0,0,0,0,0|1,0,1]=2 22 B6R0.3 COC(=O)[C@H](C)N AM20080254 [0,0,0,0,0,0|1,0,1]=2 23 B6R0.3 COC(=O)[C@H](C)N AM20090283 [0,0,0,0,0,0|1,0,1]=2 24 B6R0.3 COC(=O)[C@H](C)N AM81485 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.3 CON(C)C(C)=O AM1188 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [0,0,0,0,0,0|4,0,0]=4 29 B6R0.3 O=C(O)C(=O)CBr AM84337 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.1 C=C(C)CCBr AMY7022 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(=O)\C=N\O AM806560 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CC(C)=CC=O AMY42093 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CC(C)=CCBr AMY21882 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CCCC(C)=O AMY25524 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CCOC(C)=N AM90190 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 CCSC(C)=S AM90236 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 CNCC(C)=O AM806508 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 COCC(=N)N AM20120573 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 COCC(=O)Cl AMY40728 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 COCC(=O)O AMY4059 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 COC[C@@H](C)N AMY19545 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.1 COC[C@H](C)O AM20100219 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.1 C\C(Br)=C/CO AMY11209 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 C\C=C\C(=O)O AMY11255 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.3 C#CC(=O)OC AMY7053 [1,0,0,0,0,0|0,0,2]=3 47 B5R0.3 C=CC(=O)CBr AMY31126 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.3 C=C[C@@H](O)CC AMY851 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.3 CCC(=O)CC AMY11060 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.3 CCC(=O)OC AMY21940 [1,0,0,0,0,0|0,0,1]=2 51 B5R0.3 CNC(=O)NN AMY42564 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.3 COC(=O)C=O AMY1633 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.3 COC(=O)CF AM20100155 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.3 COC(=O)CN AM81785 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.3 COC(=O)OC AMY37165 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.3 COS(=O)OC AMY18046 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.5 C=C(C)C(=O)Cl AMY25816 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.5 C=C(C)C(N)=O AMY13351 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.5 C=C(F)C(=O)O AM84938 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.5 CC(=O)C(=O)O AMY6082 [1,0,0,0,0,0|1,0,0]=2 61 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.5 CC(=O)C(C)C AMY11021 [1,0,0,0,0,0|0,0,2]=3 65 B5R0.5 CC(=O)C(F)F AMY6800 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.5 CC(=O)C(O)O AMY25827 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.5 CC(=O)[C@H](C)F AMY5968 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.5 CC(F)=C(F)F AMY37198 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.5 CC(O)C(=O)[O-] AMY37027 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.5 C[C@H](Br)C(=O)O AM81431 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.5 C[C@H](Br)C(=O)O AM81432 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.5 C[C@H](F)C(=O)O AMY5967 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.5 C[C@H](N)C(=O)O AM20090411 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.5 C[C@H](N)C(=O)O AM20090517 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.5 C[C@H](N)C(=O)O AM20100374 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.5 C[C@H](N)C(N)=O AM20090503 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.5 C[C@H](N)C(N)=O AM81484 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.5 C[C@H](O)C(=O)O AM87208 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [1,0,0,0,0,0|1,0,2]=4 86 B5R0.5 NC(=O)C(N)=O AMY23583 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.5 O=C(O)C(=O)O AMY514 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.5 O=C(O)C(=O)O AMY6125 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.5 O=C(O)C(F)F AM20100014 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.5 C=C(Br)C(=O)OCC AM85811 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.5 CC(C)C(=O)OCCl AMY4056 [0,1,0,0,0,0|0,0,2]=3 92 B7R0.5 CCCC(=O)C(=O)O AMY6081 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.5 CCOC(=O)C(C)=O AMY40824 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.5 CCOC(=O)C(F)F AM20100159 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.5 CCOC(=O)C(N)=O AM20100509 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.5 CCOC(=O)N(C)C AMY39284 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.5 CCOC(=O)[C@@H](F)Br AM61520 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.5 CCOC(=O)[C@@H](F)Cl AMY3056 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [0,1,0,0,0,0|1,0,1]=3 101 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,1,0,0,0,0|1,0,1]=3 102 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.10 C=C(CBr)C(=O)OC AM20120603 [0,1,0,0,0,0|0,0,0]=1 105 B7R0.10 C=C(CCl)C(=O)OC AM20120602 [0,1,0,0,0,0|0,0,0]=1 106 B7R0.10 C=C(CO)C(=O)OC AM20120617 [0,1,0,0,0,0|0,0,0]=1 107 B7R0.10 CCC(=O)N(C)OC AM90011 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [0,1,0,0,0,0|1,0,1]=3 110 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [0,1,0,0,0,0|1,0,1]=3 111 B7R0.10 CNC(=O)[C@@H](N)CO AM86003 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.10 CN[C@@H](C)C(=O)OC AM9231 [0,1,0,0,0,0|0,0,2]=3 113 B7R0.10 CN[C@@H](C)C(=O)OC AM9301 [0,1,0,0,0,0|0,0,2]=3 114 B7R0.10 COC(=O)C(=O)CBr AMY30900 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.10 COC(=O)C(=O)OC AMY37133 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [0,1,0,0,0,0|0,0,2]=3 117 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [0,1,0,0,0,0|0,0,2]=3 118 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [0,1,0,0,0,0|1,0,1]=3 119 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [0,1,0,0,0,0|1,0,1]=3 120 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.10 COC(=O)[C@@H](N)CS AM20090085 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.10 COC(=O)[C@@H](N)CS AM20100664 [0,1,0,0,0,0|1,0,1]=3 124 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [0,1,0,0,0,0|1,0,1]=3 125 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [0,1,0,0,0,0|1,0,1]=3 126 B7R0.10 COC(=O)[C@H](C)C#N AMY3838 [0,1,0,0,0,0|0,0,2]=3 127 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [0,1,0,0,0,0|0,0,2]=3 128 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [0,1,0,0,0,0|0,0,2]=3 129 B7R0.10 COC(=O)[C@H](C)OC AMY37763 [0,1,0,0,0,0|0,0,2]=3 130 B7R0.10 CON(C)C(=O)CCl AM20100624 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.14 COC(=O)C(C)(Br)Br AMY36996 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.14 COC(=O)C(C)(C)N AM20080383 [0,1,0,0,0,0|0,0,2]=3 133 B7R0.14 COC(=O)C(F)(F)Cl AM84474 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.14 COC(=O)C(F)(F)F AMY3607 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.14 COC(=S)C(C)(F)F AMY28734 [0,1,0,0,0,0|1,1,1]=4 136 B7R0.16 C=C(C)C(=O)N(C)C AM85878 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.16 CC(C)=C(Br)N(C)C AMY39897 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.16 CN(C)C(=O)C(=O)O AM20090487 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.4 C=C1CCOC1=O AMY7315 [0,0,0,1,0,0|0,0,0]=1 141 B7R1.4 CC1=C(Br)SC=C1 AM20080325 [0,0,0,1,0,0|1,1,1]=4 142 B7R1.4 CC1=C(Cl)SC=C1 AMY23212 [0,0,0,1,0,0|1,1,1]=4 143 B7R1.4 CC1=C(I)C=NO1 AMY24812 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.4 CC1=C(N)OC=N1 AM101230 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.4 CC1=CNC=C1C AMY33665 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.4 CC1=CNN=C1I AM805968 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.4 CC1=CNN=C1N AM804195 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.4 CC1=CON=C1Br AM806314 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.4 CC1=CON=C1N AM806553 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.4 CC1=CSC=C1Br AMY10901 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.4 CC1=CSC=C1C AMY10944 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.4 CC1=CSC=C1N AMY34988 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.4 CN1CCCC1=O AM20110252 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,0,0,1,0,0|1,0,2]=4 156 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,0,0,1,0,0|0,0,2]=3 157 B7R1.4 NN1CCCC1=O AM84704 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,0,0,1,0,0|1,0,1]=3 159 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,0,0,1,0,0|1,0,1]=3 162 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,0,0,1,0,0|1,0,1]=3 163 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,0,0,1,0,0|1,1,1]=4 164 B7R1.4 O=C1CCCC1=O AMY23435 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,0,0,1,0,0|1,0,1]=3 170 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.22 COC(=O)C1CC1 AM20090368 [0,0,0,1,0,0|0,0,2]=3 172 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [0,0,0,1,0,0|1,0,1]=3 173 B7R1.22 COC(=O)[C@@H]1CO1 AMY42223 [0,0,0,1,0,0|1,0,1]=3 174 B7R1.22 COC(=O)[C@H]1CO1 AMY31968 [0,0,0,1,0,0|1,0,1]=3 175 B7R0.2 C=CC(=O)C=C(C)C AM806643 [0,0,0,0,0,1|1,0,2]=4 176 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,0,0,0,0,1|3,0,0]=4 177 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,0,0,0,0,1|3,0,0]=4 178 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,0,0,0,0,1|2,0,0]=3 179 B7R0.2 COC(=O)CC(=O)Cl AM90205 [0,0,0,0,0,1|2,0,0]=3 180 B7R0.2 COC(=O)CC(=O)[O-] AMY3708 [0,0,0,0,0,1|2,0,0]=3 181 B7R0.2 COC(=O)CC(=O)[O-] AMY3965 [0,0,0,0,0,1|2,0,0]=3 182 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,0,0,0,0,1|1,0,1]=3 183 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,0,0,0,0,1|1,0,1]=3 184 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,0,0,0,0,1|1,0,1]=3 185 B7R0.2 COC(=O)C[N+](=O)[O-] AM86803 [0,0,0,0,0,1|3,0,0]=4 186 B7R0.2 COC(=O)\C=C(\C)F AMY36917 [0,0,0,0,0,1|1,0,0]=2 187 B7R0.2 COC(=O)\C=C(\C)N AM20080319 [0,0,0,0,0,1|1,0,0]=2 188 B4R0.1 C#CC(=O)O AMY7000 [2,0,0,0,0,0|0,0,2]=4 189 B4R0.1 C=C(Br)C=O AMY19362 [2,0,0,0,0,0|1,0,0]=3 190 B4R0.1 C=C(C)C=O AMY28760 [2,0,0,0,0,0|0,0,0]=2 191 B4R0.1 C=C(C)CBr AM85592 [2,0,0,0,0,0|1,0,1]=4 192 B4R0.1 C=C(C)CN AMY13356 [2,0,0,0,0,0|1,0,1]=4 193 B4R0.1 C=C=C(C)C AMY42296 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.1 C=CC(=C)C AMY37001 [2,0,0,0,0,0|0,0,1]=3 195 B4R0.1 C=CC(=O)Cl AMY18873 [2,0,0,0,0,0|1,0,0]=3 196 B4R0.1 C=CC(=O)[O-] AMY3817 [2,0,0,0,0,0|0,0,1]=3 197 B4R0.1 C=C[C@H](C)Cl AMY617 [2,0,0,0,0,0|1,0,1]=4 198 B4R0.1 C=C[C@H](C)O AMY1257 [2,0,0,0,0,0|0,0,2]=4 199 B4R0.1 C=C[N+](=O)[O-] AMY36706 [2,0,0,0,0,0|1,0,1]=4 200 B4R0.1 CC(=N)NO AMY18111 [2,0,0,0,0,0|2,0,0]=4 201 B4R0.1 CC(=O)C#N AMY39183 [2,0,0,0,0,0|1,0,1]=4 202 B4R0.1 CC(=O)CBr AM85840 [2,0,0,0,0,0|1,0,1]=4 203 B4R0.1 CC(=O)CN AMY15017 [2,0,0,0,0,0|1,0,1]=4 204 B4R0.1 CC(=O)CN AMY25062 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.1 CC(=O)NN AM20080014 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.1 CC(=O)NO AM20100343 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 CC(C)=CBr AM85707 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.1 CC(C)=NO AM90369 [2,0,0,0,0,0|1,0,1]=4 209 B4R0.1 CCC(=O)Cl AMY4112 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.1 CCC(=O)O AMY4114 [2,0,0,0,0,0|0,0,1]=3 211 B4R0.1 CCC(=O)[O-] AMY22300 [2,0,0,0,0,0|0,0,2]=4 212 B4R0.1 CCC(=O)[O-] AMY37013 [2,0,0,0,0,0|0,0,2]=4 213 B4R0.1 CNC(C)=O AMY4115 [2,0,0,0,0,0|1,0,0]=3 214 B4R0.1 CNC(N)=O AMY40217 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 COC(=N)N AM85805 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 COC(=N)N AMY8981 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.1 COC(N)=O AMY4044 [2,0,0,0,0,0|1,0,0]=3 218 B4R0.1 NCC(=O)O AM81781 [2,0,0,0,0,0|1,0,1]=4 219 B4R0.1 O=CC(=O)O AMY40947 [2,0,0,0,0,0|1,0,0]=3 220 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,1]=4 221 B4R0.2 C=CCOC AM20100534 [2,0,0,0,0,0|0,0,1]=3 222 B4R0.2 C=CCON AM90375 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.2 CC\C=C\Br AMY796 [2,0,0,0,0,0|2,0,0]=4 224 B4R0.2 C\C=C\CCl AMY618 [2,0,0,0,0,0|2,0,0]=4 225 B4R0.2 C\C=C\CO AMY21936 [2,0,0,0,0,0|2,0,0]=4 226 B6R0.1 CC\C=C(/C)C=O AMY2564 [1,1,0,0,0,0|1,0,0]=3 227 B6R0.1 COCC(=O)OC AMY4063 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.1 C\C=C\C(=O)OC AMY15442 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.2 CC(=O)C=C(C)C AMY23356 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.8 C=CS(=O)(=O)CC AMY31560 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.8 COP(=O)(S)OC AM84934 [1,1,0,0,0,0|2,0,0]=4 236 B6R0.8 COS(=O)(=O)OC AMY40210 [1,1,0,0,0,0|2,0,0]=4 237 B6R0.7 CC(=O)C(C)(C)N AM806454 [1,1,0,0,0,0|0,0,2]=4 238 B6R0.7 CC(=O)C(C)(C)O AM84347 [1,1,0,0,0,0|0,0,2]=4 239 B6R0.7 CC(C)(Br)C(=O)O AM20090161 [1,1,0,0,0,0|0,0,2]=4 240 B6R0.7 CC(C)(N)C(=O)O AM20100517 [1,1,0,0,0,0|0,0,2]=4 241 B6R0.7 CC(F)(F)C(=O)O AMY1273 [1,1,0,0,0,0|1,0,1]=4 242 B8R0.2 COC(=O)[C@@H](Br)C(C)=O AM85319 [0,1,0,0,0,1|1,0,0]=3 243 B8R0.2 COC(=O)[C@@H](Br)C(C)C AM20090325 [0,1,0,0,0,1|0,0,2]=4 244 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100385 [0,1,0,0,0,1|0,0,2]=4 245 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100557 [0,1,0,0,0,1|0,0,2]=4 246 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100674 [0,1,0,0,0,1|0,0,2]=4 247 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O AM82244 [0,1,0,0,0,1|1,0,1]=4 248 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY16025 [0,1,0,0,0,1|0,0,2]=4 249 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY31877 [0,1,0,0,0,1|0,0,2]=4 250 B8R0.2 COC(=O)[C@H](O)C(C)C AMY16017 [0,1,0,0,0,1|0,0,2]=4 251 B8R0.5 CC(C)OC(=O)OCCl AM20090681 [0,1,0,0,0,1|0,0,2]=4 252 B8R0.5 CCOC(=O)C=C(F)F AMY14713 [0,1,0,0,0,1|2,0,0]=4 253 B8R0.5 CCOC(=O)CC(=N)N AM803971 [0,1,0,0,0,1|2,0,0]=4 254 B8R0.5 CCOC(=O)CC(=N)N AMY16018 [0,1,0,0,0,1|2,0,0]=4 255 B8R0.5 CCOC(=O)CC(=O)Cl AM90203 [0,1,0,0,0,1|2,0,0]=4 256 B8R0.5 CCOC(=O)CC(=O)O AMY3657 [0,1,0,0,0,1|2,0,0]=4 257 B8R0.5 CCOC(=O)CC(=O)[O-] AMY4053 [0,1,0,0,0,1|2,0,0]=4 258 B8R0.5 CCOC(=O)CC(N)=O AMY2619 [0,1,0,0,0,1|2,0,0]=4 259 B8R0.5 CCOC(=O)CN(C)C AMY3944 [0,1,0,0,0,1|1,0,1]=4 260 B8R0.5 CCOC(=O)C[C@H](C)Br AM9919 [0,1,0,0,0,1|1,0,1]=4 261 B8R0.5 CCOC(=O)C[C@H](C)N AMY314 [0,1,0,0,0,1|1,0,1]=4 262 B8R0.5 COCC(=O)OC(C)C AMY3876 [0,1,0,0,0,1|0,0,2]=4 263 B8R0.16 CO\C(C=O)=C/N(C)C AM20080541 [0,1,0,0,0,1|1,0,1]=4 264 B8R0.19 CCC(=O)CC(=O)CC AMY8840 [0,1,0,0,0,1|2,0,0]=4 265 B8R0.19 CCC(=O)CC(=O)OC AMY21932 [0,1,0,0,0,1|1,0,0]=3 266 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [0,1,0,0,0,1|1,0,1]=4 267 B8R0.19 COC(=N)CC(=O)OC AMY31003 [0,1,0,0,0,1|1,0,0]=3 268 B8R0.19 COC(=O)CC(=O)OC AMY10014 [0,1,0,0,0,1|1,0,0]=3 269 B8R0.19 COC(=O)\C=C(/C)C=O AMY39195 [0,1,0,0,0,1|0,0,0]=2 270 B8R0.23 CC(C)=CC(=O)N(C)C AMY18860 [0,1,0,0,0,1|1,0,1]=4 271 B8R0.24 COC(=O)CS(C)(=O)=O AM1105 [0,1,0,0,0,1|2,0,0]=4 272 B8R0.3 C=C(CBr)C(=O)OCC AMY39543 [0,2,0,0,0,0|0,0,0]=2 273 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [0,2,0,0,0,0|1,0,1]=4 274 B8R0.3 CCN[C@@H](C)C(=O)OC AM20120635 [0,2,0,0,0,0|0,0,2]=4 275 B8R0.3 CCOC(=O)C(=O)CBr AMY866 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [0,2,0,0,0,0|1,0,0]=3 277 B8R0.3 CCOC(=O)N(C)N=O AMY41354 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.3 CCOC(=O)[C@@H](Br)CBr AMY25656 [0,2,0,0,0,0|1,0,1]=4 279 B8R0.3 CCOC(=O)[C@@H](C)CN AMY13618 [0,2,0,0,0,0|0,0,2]=4 280 B8R0.3 CCOC(=O)[C@@H](Cl)C=O AMY10622 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.3 CCOC(=O)[C@@H](N)CO AM82214 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.3 CCOC(=O)[C@@H](N)CO AM82215 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.3 CCOC(=O)[C@@H](N)CS AM20110240 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.3 CCOC(=O)[C@H](C)NC AM8903 [0,2,0,0,0,0|0,0,2]=4 285 B8R0.3 CCOC(=O)\C(Cl)=N\O AM20080328 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.3 CCOC(=O)\C(N)=N\O AMY42392 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.3 COC(=O)[C@@H](Br)CCBr AMY30914 [0,2,0,0,0,0|1,0,1]=4 288 B8R0.8 C=C(C)C(=O)NCCO AMY25704 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.8 C=C(C)C(=O)NCOC AMY11203 [0,2,0,0,0,0|0,0,0]=2 290 B8R0.8 C=C(C)C(=O)OCCCl AMY18680 [0,2,0,0,0,0|0,0,0]=2 291 B8R0.8 C=C(C)C(=O)OCCN AM10040 [0,2,0,0,0,0|0,0,0]=2 292 B8R0.8 C=C(C)C(=O)OCCN AM90246 [0,2,0,0,0,0|0,0,0]=2 293 B8R0.8 C=CCOC(=O)C(=C)C AMY4149 [0,2,0,0,0,0|0,0,0]=2 294 B8R0.8 C=CCOC(=O)C(=O)Cl AMY22116 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.14 CC(C)(C)C(=O)OCI AMY13386 [0,2,0,0,0,0|0,0,2]=4 296 B8R0.14 CCOC(=O)C(C)(C)Br AM20100465 [0,2,0,0,0,0|0,0,2]=4 297 B8R0.14 CCOC(=O)C(C)(F)F AMY1269 [0,2,0,0,0,0|1,0,1]=4 298 B8R0.13 CCC(=O)C(C)(C)C=O AM20120716 [0,2,0,0,0,0|1,0,1]=4 299 B8R0.13 COC(=O)C(C)(C)CN AMY19450 [0,2,0,0,0,0|0,0,2]=4 300 B8R0.13 COC(=O)C(C)(C)CN AMY19451 [0,2,0,0,0,0|0,0,2]=4 301 B8R0.13 COC(=O)C(F)(F)CBr AMY18660 [0,2,0,0,0,0|1,0,1]=4 302 B8R0.20 CC[C@H](NC)C(=O)OC AM9125 [0,2,0,0,0,0|0,0,2]=4 303 B8R0.20 CN[C@@H](CO)C(=O)OC AM8885 [0,2,0,0,0,0|0,0,2]=4 304 B8R0.20 COC(=O)C(OC)OC AM20120283 [0,2,0,0,0,0|0,0,2]=4 305 B6R1.2 BrC1=CCCC1 AMY38286 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.2 BrC1=COC=C1 AM81635 [1,0,0,1,0,0|1,0,1]=4 307 B6R1.2 BrC1=CON=C1 AM90167 [1,0,0,1,0,0|2,0,0]=4 308 B6R1.2 C=C1CCOC1 AMY6014 [1,0,0,1,0,0|0,0,1]=3 309 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,1,0,0|1,0,1]=4 310 B6R1.2 CC1=CNC=C1 AMY14173 [1,0,0,1,0,0|1,0,1]=4 311 B6R1.2 CC1=CNN=C1 AM20100737 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.2 CC1=COC=N1 AMY32123 [1,0,0,1,0,0|1,0,1]=4 313 B6R1.2 CC1=CSC=C1 AMY40151 [1,0,0,1,0,0|0,1,1]=4 314 B6R1.2 NC1=CON=C1 AMY15221 [1,0,0,1,0,0|2,0,0]=4 315 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,1,0,0|2,0,0]=4 316 B6R1.2 O=C1CCOC1 AM20090235 [1,0,0,1,0,0|1,0,1]=4 317 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,0,0,1,0,1|1,0,1]=4 318 B8R1.4 CC1=CC(=O)NN=C1 AM20100351 [0,0,0,1,0,1|2,0,0]=4 319 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,0,0,1,0,1|2,0,0]=4 320 B8R1.4 O=C1CCCC(=O)N1 AMY400 [0,0,0,1,0,1|2,0,0]=4 321 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [0,0,0,1,0,1|2,0,0]=4 322 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,0,0,1,0,1|2,0,0]=4 323 B8R1.18 CC1=CN(C)C(Br)=N1 AM803566 [0,0,0,1,0,1|2,0,0]=4 324 B8R1.40 COC(=O)CC1CC1 AMY34208 [0,0,0,1,0,1|0,0,2]=4 325 B8R1.51 CC1(C)COC(=O)N1 AMY3917 [0,0,0,1,0,1|0,0,2]=4 326 B8R1.5 CC1=CC=NNC1=O AMY17836 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.5 O=C1CCCCC1=O AM20070526 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.7 C=C(C)C1=NCCO1 AMY10787 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.37 CCOC(=O)C1CC1 AMY3988 [0,1,0,1,0,0|0,0,2]=4 330 B8R1.37 CCOC(=O)[C@@H]1CO1 AMY5207 [0,1,0,1,0,0|1,0,1]=4 331 B8R1.37 CCOC(=O)[C@H]1CO1 AMY31967 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.11 CC1=C(C=O)NC=C1 AMY14159 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.11 CC1=C(C=O)OC=N1 AM100307 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.11 CC1=C(C=O)SC=C1 AM20100422 [0,1,0,1,0,0|0,1,1]=4 335 B8R1.11 CC1=C(CN)C=NO1 AM806537 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.11 CC1=C(CO)C=CO1 AMY41934 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.11 CC1=C(CO)C=NO1 AM806531 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.11 CC1=CON=C1C=O AM806541 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.11 CCC1=C(C)N=CS1 AMY18970 [0,1,0,1,0,0|1,1,0]=4 340 B8R1.11 COC1=CSC=C1C AMY10989 [0,1,0,1,0,0|0,1,0]=3 341 B8R1.11 COC1=NNC=C1Br AMY5057 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.11 COC1=NNC=C1I AMY5068 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.11 O=C1CCC=C1CO AMY2077 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.11 O=CC1=C(Br)C=CO1 AMY20256 [0,1,0,1,0,0|1,0,1]=4 345 B8R1.38 COC(=O)C1CCC1 AM20070621 [0,1,0,1,0,0|0,0,2]=4 346 B8R1.38 COC(=O)C1CNC1 AM20070638 [0,1,0,1,0,0|0,0,2]=4 347 B8R1.38 COC(=O)C1CNC1 AMY4957 [0,1,0,1,0,0|0,0,2]=4 348 B8R1.38 COC(=O)[C@@H]1CCN1 AMY38525 [0,1,0,1,0,0|0,0,2]=4 349 B8R1.38 COC(=O)[C@@H]1CCN1 AMY6585 [0,1,0,1,0,0|0,0,2]=4 350 B8R1.38 COC(=O)[C@H]1CCN1 AMY38522 [0,1,0,1,0,0|0,0,2]=4 351 B8R1.39 COC(=O)C1(Br)CC1 AMY18857 [0,1,0,1,0,0|0,0,2]=4 352 B8R1.39 COC(=O)C1(N)CC1 AM804291 [0,1,0,1,0,0|0,0,2]=4 353 B8R1.39 COC(=O)C1(N)CC1 AMY40707 [0,1,0,1,0,0|0,0,2]=4 354 B8R1.39 COC(=O)C1(O)CC1 AM85732 [0,1,0,1,0,0|0,0,2]=4 355 B8R1.50 CC1=C(Br)N(C)C=N1 AM806220 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,1,0,1,0,0|0,0,0]=2 357 B8R1.50 CC1=C(C)C(Br)=NO1 AM85960 [0,1,0,1,0,0|2,0,0]=4 358 B8R1.50 CC1=C(C)C(N)=NO1 AM20080299 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.50 CC1=C(C)C(N)=NO1 AMY38138 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.50 CC1=C(I)N(C)N=C1 AM98530 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.50 CC1=C(N)N(C)C=N1 AMY20370 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.50 CC1=C(N)N(C)N=C1 AM100706 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.50 CC1=CSC(C)=C1Br AMY28879 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.50 CC1=NOC(N)=C1C AMY37010 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.50 CC1C(=O)CCC1=O AM20100124 [0,1,0,1,0,0|1,0,1]=4 366 B8R1.50 CN1C(=O)CCC1=O AMY228 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O AMY41888 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.50 O=C1COC(=O)[C@H]1Br AM807274 [0,1,0,1,0,0|1,0,1]=4 369 B8R0.9 CCC(=O)COC(C)=O AM20080565 [0,0,0,0,0,2|2,0,0]=4 370 B8R0.9 COC(=O)CCC(=O)O AM20100028 [0,0,0,0,0,2|2,0,0]=4 371 B8R0.9 COC(=O)CCC(=O)[O-] AMY4106 [0,0,0,0,0,2|2,0,0]=4 372 B8R0.9 COC(=O)CCN(C)C AM807052 [0,0,0,0,0,2|1,0,1]=4