0 B7R0.5 C=C(Br)C(=O)OCC AM85811 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 CC(C)C(=O)CC#N AM20090390 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 CC(C)C(=O)OCCl AMY4056 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.5 CC(C)N(C)CCO AMY9192 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.5 CC(C)[C@@H](N)CCO AMY20244 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 CCCC(=O)C(=O)O AMY6081 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 CCOC(=O)C(C)=O AMY40824 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.5 CCOC(=O)C(F)F AM20100159 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.5 CCOC(=O)C(N)=O AM20100509 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.5 CCOC(=O)N(C)C AMY39284 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.5 CCOC(=O)[C@@H](F)Br AM61520 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.5 CCOC(=O)[C@@H](F)Cl AMY3056 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.5 CCO[C@H](O)C(F)F AM803241 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.5 CN(C)C(=O)CC#N AMY38498 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.5 COC[C@H](N)C(C)C AM806372 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 C#CC(=O)OCC AM20100525 [1,0,0,0,0,0|0,0,2]=3 21 B6R0.1 C=CC(=O)NCC AMY36703 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.1 C=CC(=O)OCC AMY40211 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.1 CC#CC(=O)OC AMY1234 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 CCC(=O)CC#N AMY10591 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 CCNC(=O)CCl AM802871 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 CCNC(=O)NC AM85700 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.1 CCOC(=N)CCl AMY15738 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.1 CCOC(=O)CBr AM20070701 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.1 CCOC(=O)CC AMY21941 [1,0,0,0,0,0|0,0,0]=1 30 B6R0.1 CCOC(=O)CN AM81786 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.1 CCOC(=O)NC AMY3767 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.1 CCOC(=O)NN AMY23328 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 CNCC(=O)OC AM82645 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.1 COC(=O)CCBr AMY21872 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.1 COC(=O)CCN AM20090461 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.1 COC(=O)CCO AM85845 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.1 COC(=O)CSC AMY10908 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.1 COC(=O)OCCl AMY37648 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.1 COCC(=O)OC AMY4063 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.1 C\C=C\C(=O)OC AMY15442 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.1 O=C(CCl)CCCl AM9592 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.3 C=C(F)C(=O)OC AM20120633 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.3 C=CC(=O)N(C)C AM84856 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.3 CC(=O)C(=O)CBr AMY23002 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.3 CC(=O)C(=O)CCl AMY42031 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 CC(C)C(=N)NO AM803769 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.3 CC(C)C(=O)NN AMY3958 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.3 CC(C)\C(Cl)=N\O AMY37414 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.3 CCC(=O)C(=O)O AM90224 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.3 CCC(=O)C(C)=O AMY4046 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.3 CCC(=O)N(C)C AMY38676 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.3 CN(C)C(=O)CCl AM84854 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.3 CN(C)C(=O)CI AM805909 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.3 CN(C)C(=O)CN AM20100689 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.3 CN(C)C(=O)CN AMY4281 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.3 COC(=O)C(=N)N AM804117 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.3 COC(=O)C(C)=O AMY40825 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.3 COC(=O)C(F)F AMY3631 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.3 COC(=O)[C@H](C)Br AMY21873 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.3 COC(=O)[C@H](C)Cl AM81434 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.3 COC(=O)[C@H](C)Cl AM81435 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.3 COC(=O)[C@H](C)Cl AMY3875 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.3 COC(=O)[C@H](C)N AM20080254 [1,0,0,0,0,0|1,0,0]=2 71 B6R0.3 COC(=O)[C@H](C)N AM20090283 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.3 COC(=O)[C@H](C)N AM81485 [1,0,0,0,0,0|1,0,0]=2 73 B6R0.4 CC(C)CCCO AMY39142 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.4 CC(C)CON=O AMY4012 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.4 CC(C)NCCCl AMY31121 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.4 CC(C)OCCBr AM80879 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.4 CCCCN(C)C AMY25818 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.4 CCOCC(Br)Br AMY830 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.4 CNCCC(C)C AMY37348 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.4 CNCCC(C)C AMY37370 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.2 CON(C)C(=O)C(C)C AM90020 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.3 C=C(CBr)C(=O)OCC AMY39543 [0,1,0,0,0,0|0,0,2]=3 83 B8R0.3 CCCC(=O)N(C)OC AM90018 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.3 CCOC(=O)C(=O)CBr AMY866 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.3 CCOC(=O)C(N)C#N AM807974 [0,1,0,0,0,0|1,0,1]=3 87 B8R0.3 CCOC(=O)N(C)N=O AMY41354 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.3 CCOC(=O)[C@@H](Br)CBr AMY25656 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.3 CCOC(=O)[C@@H](C)CN AMY13618 [0,1,0,0,0,0|0,0,0]=1 90 B8R0.3 CCOC(=O)[C@@H](Cl)C=O AMY10622 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.3 CCOC(=O)[C@@H](N)CO AM82214 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.3 CCOC(=O)[C@@H](N)CO AM82215 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.3 CCOC(=O)[C@@H](N)CS AM20110240 [0,1,0,0,0,0|1,0,0]=2 94 B8R0.3 CCOC(=O)[C@H](C)NC AM8903 [0,1,0,0,0,0|0,0,0]=1 95 B8R0.3 CCOC(=O)\C(Cl)=N\O AM20080328 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.3 CCOC(=O)\C(N)=N\O AMY42392 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.8 C=C(C)C(=O)NCCO AMY25704 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.8 C=C(C)C(=O)NCOC AMY11203 [0,1,0,0,0,0|1,0,2]=4 99 B8R0.8 C=C(C)C(=O)OCCCl AMY18680 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.8 C=C(C)C(=O)OCCN AM10040 [0,1,0,0,0,0|0,0,2]=3 101 B8R0.8 C=C(C)C(=O)OCCN AM90246 [0,1,0,0,0,0|0,0,2]=3 102 B8R0.8 C=CCOC(=O)C(=C)C AMY4149 [0,1,0,0,0,0|0,0,3]=4 103 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [0,1,0,0,0,0|2,0,0]=3 104 B8R0.14 CC(C)(C)C(=O)CC#N AMY21885 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.14 CC(C)(C)C(=O)OCI AMY13386 [0,1,0,0,0,0|1,0,0]=2 106 B8R0.14 CCCC(=O)C(F)(F)F AMY6876 [0,1,0,0,0,0|3,0,0]=4 107 B8R0.14 CCOC(=N)C(Cl)(Cl)Cl AMY3906 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.14 CCOC(=O)C(C)(C)Br AM20100465 [0,1,0,0,0,0|0,0,0]=1 109 B8R0.14 CCOC(=O)C(C)(F)F AMY1269 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.14 CCOC(=O)C(F)(F)Br AMY3632 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.14 CCOC(=O)C(F)(F)Cl AMY3630 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.14 CCOC(=O)C(F)(F)F AMY395 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.14 CCOC(=O)C(F)(F)I AMY37181 [0,1,0,0,0,0|2,0,0]=3 114 B8R0.14 C\C=N\[S@@](=O)C(C)(C)C AMY1199 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.23 C=C(C)C(=O)NC(C)C AM20080280 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.23 CC(C)=CC(=O)N(C)C AMY18860 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.23 CC(C)NC(=O)C(C)C AMY10581 [0,1,0,0,0,0|1,0,0]=2 118 B8R0.23 CC(C)OC(=O)[C@@H](C)N AMY30889 [0,1,0,0,0,0|1,0,0]=2 119 B8R0.23 CC(C)OC(=O)[C@H](C)N AMY852 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.5 CC1=NCCCN1C AM20100127 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.5 CC1CCCCC1N AM804248 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.5 CC1CCCNC1C AM81284 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.5 CN1CCNCC1=O AM20100457 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.5 CN1CCNCC1=O AMY39473 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,0,0,1,0,0|1,0,0]=2 127 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.5 O=C1CCCCC1=O AM20070526 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.7 C=C(C)C1=NCCO1 AMY10787 [0,0,0,1,0,0|1,0,2]=4 143 B8R1.7 CC(C)C1=CC=CO1 AMY39189 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.7 CC(C)C1=NN=CO1 AM20080376 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.7 CC(C)[C@H]1CCCN1 AMY34369 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.18 CC1=C[C@H](Cl)OC1=O AMY31036 [0,0,0,1,0,0|1,0,2]=4 147 B8R1.18 CN1C[C@@H](N)CC1=O AMY34923 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.18 C[C@@H]1NC(=O)OC1=O AM84795 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.19 CC1(C)CCC=[N+]1[O-] AM20090502 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.19 CC1(C)CCCC1=O AMY25679 [0,0,0,1,0,0|1,0,0]=2 152 B8R1.19 CC1(C)CCNC1=O AMY23821 [0,0,0,1,0,0|1,0,0]=2 153 B8R1.37 CCOC(=O)C1CC1 AMY3988 [0,0,0,1,0,0|0,0,0]=1 154 B8R1.37 CCOC(=O)[C@@H]1CO1 AMY5207 [0,0,0,1,0,0|1,0,0]=2 155 B8R1.37 CCOC(=O)[C@H]1CO1 AMY31967 [0,0,0,1,0,0|1,0,0]=2 156 B8R1.37 N#CCC(=O)C1CC1 AM806869 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.54 C[C@H](Br)C(=O)C1CC1 AMY34721 [0,0,0,1,0,0|2,0,0]=3 158 B8R0.5 CC(C)OC(=O)OCCl AM20090681 [0,0,0,0,0,1|1,0,0]=2 159 B8R0.5 CCC[C@H](C)CC(C)C AMY6077 [0,0,0,0,0,1|2,0,1]=4 160 B8R0.5 CCOC(=O)C=C(F)F AMY14713 [0,0,0,0,0,1|2,0,1]=4 161 B8R0.5 CCOC(=O)CC(=N)N AM803971 [0,0,0,0,0,1|2,0,1]=4 162 B8R0.5 CCOC(=O)CC(=N)N AMY16018 [0,0,0,0,0,1|2,0,1]=4 163 B8R0.5 CCOC(=O)CC(=O)Cl AM90203 [0,0,0,0,0,1|2,0,1]=4 164 B8R0.5 CCOC(=O)CC(=O)O AMY3657 [0,0,0,0,0,1|2,0,1]=4 165 B8R0.5 CCOC(=O)CC(=O)[O-] AMY4053 [0,0,0,0,0,1|2,0,1]=4 166 B8R0.5 CCOC(=O)CC(N)=O AMY2619 [0,0,0,0,0,1|2,0,1]=4 167 B8R0.5 CCOC(=O)CN(C)C AMY3944 [0,0,0,0,0,1|1,0,0]=2 168 B8R0.5 CCOC(=O)C[C@H](C)Br AM9919 [0,0,0,0,0,1|1,0,0]=2 169 B8R0.5 CCOC(=O)C[C@H](C)N AMY314 [0,0,0,0,0,1|1,0,0]=2 170 B8R0.5 COCC(=O)OC(C)C AMY3876 [0,0,0,0,0,1|2,0,0]=3 171 B5R0.1 CC(=O)CCO AMY31061 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.1 CC(=O)OCCl AMY28690 [2,0,0,0,0,0|1,0,0]=3 173 B5R0.1 CC(C)=CCBr AMY21882 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.1 CC(C)CON AMY31434 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.1 CC(C)OCCl AMY23885 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.1 CC(C)\C=N\O AMY37290 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.1 CCCC(C)=O AMY25524 [2,0,0,0,0,0|1,0,0]=3 178 B5R0.1 CCC[C@H](C)N AMY12548 [2,0,0,0,0,0|1,0,1]=4 179 B5R0.1 CCNC(C)C AMY13342 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.1 CCOC(=S)[S-] AM20080300 [2,0,0,0,0,0|1,1,0]=4 181 B5R0.1 CCOC(C)=N AM90190 [2,0,0,0,0,0|1,0,0]=3 182 B5R0.1 CCOC(N)=O AM20100253 [2,0,0,0,0,0|1,0,0]=3 183 B5R0.1 CCO[PH](=O)[O-] AMY22458 [2,0,0,0,0,0|2,0,0]=4 184 B5R0.1 CCSC(C)=S AM90236 [2,0,0,0,0,0|0,2,0]=4 185 B5R0.1 CNCC(C)=O AM806508 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.1 COC[C@@H](C)N AMY19545 [2,0,0,0,0,0|1,0,1]=4 187 B5R0.1 COC[C@H](C)O AM20100219 [2,0,0,0,0,0|1,0,1]=4 188 B5R0.1 C\C=C\C(C)=O AMY31928 [2,0,0,0,0,0|1,0,1]=4 189 B5R0.2 CCCCCC AMY22305 [2,0,0,0,0,0|1,0,1]=4 190 B5R0.2 CCCNCC AMY13343 [2,0,0,0,0,0|1,0,1]=4 191 B5R0.2 CCO\C=C/Br AM806384 [2,0,0,0,0,0|1,0,1]=4 192 B5R0.3 C#CC(=O)OC AMY7053 [2,0,0,0,0,0|0,0,2]=4 193 B5R0.3 CCC(=O)CC AMY11060 [2,0,0,0,0,0|0,0,0]=2 194 B5R0.3 CCC(=O)OC AMY21940 [2,0,0,0,0,0|0,0,0]=2 195 B5R0.3 CCC(N)CC AMY4054 [2,0,0,0,0,0|1,0,1]=4 196 B5R0.3 CCN(C)CC AMY13336 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.3 CCN(O)CC AMY25658 [2,0,0,0,0,0|1,0,1]=4 198 B5R0.3 COC(=O)C=O AMY1633 [2,0,0,0,0,0|1,0,1]=4 199 B5R0.3 COC(=O)CF AM20100155 [2,0,0,0,0,0|1,0,0]=3 200 B5R0.3 COC(=O)CN AM81785 [2,0,0,0,0,0|1,0,0]=3 201 B5R0.3 COC(=O)OC AMY37165 [2,0,0,0,0,0|1,0,0]=3 202 B5R0.3 COS(=O)OC AMY18046 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.3 O=C(CBr)CBr AM85919 [2,0,0,0,0,0|2,0,0]=4 204 B5R0.3 O=C(CO)CBr AMY19754 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.5 CC(=O)C(=O)O AMY6082 [2,0,0,0,0,0|1,0,1]=4 206 B5R0.5 CC(=O)C(C)C AMY11021 [2,0,0,0,0,0|0,0,0]=2 207 B5R0.5 CC(=O)C(F)F AMY6800 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.5 CC(=O)C(O)O AMY25827 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.5 CC(=O)[C@H](C)F AMY5968 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.5 CC(C)B(O)O AM1192 [2,0,0,0,0,0|1,0,1]=4 211 B5R0.5 CC(C)N(C)C AMY13340 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.5 CC(C)[C@@H](C)N AMY22001 [2,0,0,0,0,0|1,0,1]=4 213 B5R0.5 CC(C)[C@H](C)N AMY14243 [2,0,0,0,0,0|1,0,1]=4 214 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [2,0,0,0,0,0|1,0,1]=4 215 B5R0.5 CC(O)C(=O)[O-] AMY37027 [2,0,0,0,0,0|1,0,1]=4 216 B5R0.5 C[C@H](Br)C(=O)O AM81431 [2,0,0,0,0,0|1,0,0]=3 217 B5R0.5 C[C@H](Br)C(=O)O AM81432 [2,0,0,0,0,0|1,0,0]=3 218 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [2,0,0,0,0,0|1,0,0]=3 219 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [2,0,0,0,0,0|1,0,0]=3 222 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [2,0,0,0,0,0|1,0,0]=3 223 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.5 C[C@H](F)C(=O)O AMY5967 [2,0,0,0,0,0|1,0,0]=3 225 B5R0.5 C[C@H](N)C(=O)O AM20090411 [2,0,0,0,0,0|1,0,0]=3 226 B5R0.5 C[C@H](N)C(=O)O AM20090517 [2,0,0,0,0,0|1,0,0]=3 227 B5R0.5 C[C@H](N)C(=O)O AM20100374 [2,0,0,0,0,0|1,0,0]=3 228 B5R0.5 C[C@H](N)C(N)=O AM20090503 [2,0,0,0,0,0|2,0,0]=4 229 B5R0.5 C[C@H](N)C(N)=O AM81484 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.5 C[C@H](O)C(=O)O AM87208 [2,0,0,0,0,0|1,0,0]=3 231 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [2,0,0,0,0,0|1,0,1]=4 232 B5R0.5 O=C(O)C(F)F AM20100014 [2,0,0,0,0,0|2,0,0]=4 233 B7R0.2 C#CC(=O)OC(C)C AMY7054 [1,1,0,0,0,0|0,0,2]=4 234 B7R0.2 CC(C)OC(=O)CN AM81795 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.2 CC(C)OC(=O)CO AM20100526 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.2 CCC(=O)CC(C)=O AMY2701 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.3 CCCOC(=O)CC AMY21939 [1,1,0,0,0,0|0,0,0]=2 241 B7R0.3 CNCCC(=O)OC AMY4326 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.3 COC(=O)CCCN AM803145 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.3 COC(=O)CCCS AMY40461 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.7 C=C(OCC)OCC AM9861 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.7 C=CCC(=O)OCC AMY30553 [1,1,0,0,0,0|0,0,1]=3 246 B7R0.7 CC#CC(=O)OCC AM86969 [1,1,0,0,0,0|0,0,1]=3 247 B7R0.7 CCCC(=O)CCC AMY3807 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.7 CCNC(=O)NCC AMY25735 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.7 CCOC(=O)CC=O AMY18659 [1,1,0,0,0,0|0,0,1]=3 250 B7R0.7 CCOC(=O)CCN AM803889 [1,1,0,0,0,0|0,0,0]=2 251 B7R0.7 CCOC(=O)CCO AMY20483 [1,1,0,0,0,0|0,0,0]=2 252 B7R0.7 CCOC(=O)CNC AM82644 [1,1,0,0,0,0|0,0,0]=2 253 B7R0.7 CCOC(=O)CNC AMY3815 [1,1,0,0,0,0|0,0,0]=2 254 B7R0.7 CCOC(=O)CNN AM20100649 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.7 CCOC(=O)COC AMY3969 [1,1,0,0,0,0|0,0,0]=2 256 B7R0.7 CCOC(=O)CSC AMY33462 [1,1,0,0,0,0|0,0,0]=2 257 B7R0.7 CCOC(=O)N=C=O AMY771 [1,1,0,0,0,0|1,0,1]=4 258 B7R0.7 CCOC(=O)N=C=S AMY10862 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.7 CCOC(=O)OCC AMY11101 [1,1,0,0,0,0|0,0,0]=2 260 B7R0.7 CCOC(=O)OCCl AMY14438 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.7 CCOC(=O)\C=C/N AM87196 [1,1,0,0,0,0|0,0,2]=4 262 B7R0.7 CCOC(=O)\C=C\I AM805822 [1,1,0,0,0,0|0,0,2]=4 263 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [1,1,0,0,0,0|0,0,2]=4 264 B7R0.7 CCOP(C)OCC AMY758 [1,1,0,0,0,0|2,0,0]=4 265 B7R0.7 CCOP(Cl)OCC AMY843 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.7 CCOP([O-])OCC AMY7038 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.7 CCOS(=O)OCC AMY17996 [1,1,0,0,0,0|1,0,0]=3 268 B7R0.7 O=C(CCCl)CCCl AMY9352 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.7 [C-]#[N+]CC(=O)OCC AMY403 [1,1,0,0,0,0|0,0,1]=3 270 B7R0.10 CCC(=O)N(C)OC AM90011 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.10 CCN(C)C(=O)CBr AM803019 [1,1,0,0,0,0|2,0,0]=4 272 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [1,1,0,0,0,0|2,0,0]=4 275 B7R0.14 CC(C)(C)C(=O)NN AM9992 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.14 CC(C)(O)C(=O)NN AMY31454 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.14 CCC(=O)C(F)(F)F AMY1237 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.14 COC(=O)C(C)(Br)Br AMY36996 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.14 COC(=O)C(C)(C)N AM20080383 [1,1,0,0,0,0|0,0,0]=2 280 B7R0.14 COC(=O)C(F)(F)Cl AM84474 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.14 COC(=O)C(F)(F)F AMY3607 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.14 COC(=S)C(C)(F)F AMY28734 [1,1,0,0,0,0|1,1,0]=4 283 B7R0.15 CCN(CC)C(C)C AMY18859 [1,1,0,0,0,0|2,0,0]=4 284 B7R0.16 C=C(C)C(=O)N(C)C AM85878 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.16 CC(C)C(N)C(C)C AMY9393 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.4 CC(C)NCCCO AMY41464 [1,1,0,0,0,0|2,0,0]=4 288 B7R0.6 CC(C)CC[C@H](C)N AMY3922 [1,1,0,0,0,0|1,0,1]=4 289 B9R0.4 CCCCC(=O)CC(C)C AMY19268 [0,1,0,0,0,1|1,0,0]=3 290 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br AMY202100100 [0,1,0,0,0,1|1,0,0]=3 291 B9R0.6 CCOC(=O)[C@@H](Br)C(C)=O AM87094 [0,1,0,0,0,1|1,0,1]=4 292 B9R0.6 CCOC(=O)[C@@H](Br)C(C)C AM20100480 [0,1,0,0,0,1|0,0,0]=2 293 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O AM20100481 [0,1,0,0,0,1|1,0,1]=4 294 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O AMY40194 [0,1,0,0,0,1|1,0,1]=4 295 B9R0.6 CCOC(=O)[C@@H](F)C(C)=O AM84482 [0,1,0,0,0,1|1,0,1]=4 296 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O AM9786 [0,1,0,0,0,1|1,0,1]=4 297 B9R0.6 CCOC(=O)[C@@H](N)C(C)C AM82372 [0,1,0,0,0,1|0,0,0]=2 298 B9R0.6 CCOC(=O)[C@@H](N)C(C)C AM82373 [0,1,0,0,0,1|0,0,0]=2 299 B9R0.34 CCOC(=O)CC(=O)CBr AM807438 [0,1,0,0,0,1|1,0,1]=4 300 B9R0.34 CCOC(=O)CC(=O)NC AM85887 [0,1,0,0,0,1|1,0,1]=4 301 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81437 [0,1,0,0,0,1|1,0,0]=3 302 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81438 [0,1,0,0,0,1|1,0,0]=3 303 B9R0.34 CCOC(=O)C[C@H](O)CCl AMY22171 [0,1,0,0,0,1|1,0,0]=3 304 B9R0.44 CC(C)(C)OC(=O)CCN AM20100429 [0,1,0,0,0,1|2,0,0]=4 305 B9R0.44 CC(C)(C)OC(=O)CCN AM20120548 [0,1,0,0,0,1|2,0,0]=4 306 B9R0.44 CC(C)(C)OC(=O)CCO AM85306 [0,1,0,0,0,1|2,0,0]=4 307 B9R0.44 CCNC(=O)OC(C)(C)C AMY31372 [0,1,0,0,0,1|1,0,0]=3 308 B9R0.44 CCOC(=O)CC(C)(C)N AM804417 [0,1,0,0,0,1|0,0,0]=2 309 B9R0.44 CCOC(=O)CC(C)(C)O AMY19443 [0,1,0,0,0,1|0,0,0]=2 310 B9R0.44 CCOC(=O)CC(F)(F)F AMY3054 [0,1,0,0,0,1|2,0,0]=4 311 B9R0.44 CCOC(=O)CS(C)(=O)=O AMY20507 [0,1,0,0,0,1|2,0,0]=4 312 B9R0.44 CCOC(=O)C[Si](C)(C)C AMY42247 [0,1,0,0,0,1|0,1,0]=3 313 B9R0.44 CNCC(=O)OC(C)(C)C AM20100381 [0,1,0,0,0,1|2,0,0]=4 314 B9R0.53 CC(C)OC(=O)OC(C)C AM20100584 [0,1,0,0,0,1|0,0,0]=2 315 B9R0.53 CC(C)OS(=O)OC(C)C AMY24811 [0,1,0,0,0,1|1,0,0]=3 316 B9R0.53 C\C(=N/C(C)C)NC(C)C AMY19329 [0,1,0,0,0,1|2,0,0]=4 317 B9R0.58 CCCS(=O)(=O)OC(C)C AMY7759 [0,1,0,0,0,1|2,0,0]=4 318 B9R0.25 CON(C)C(=O)C(C)(C)C AM90116 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.8 C=CCOC(=O)[C@H](C)NC AM9086 [0,2,0,0,0,0|0,0,1]=3 320 B9R0.8 CCCCC(=O)N(C)OC AM90039 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.19 CCOC(=O)C(C)(C)C#N AM807076 [0,2,0,0,0,0|0,0,0]=2 322 B9R0.19 CCOC(=O)C(C)(C)CN AMY19414 [0,2,0,0,0,0|0,0,0]=2 323 B9R0.35 C=CC[C@H](C)C(=O)OCC AMY40441 [0,2,0,0,0,0|0,0,0]=2 324 B9R0.35 CCOC(=O)C(=O)OCC AMY37179 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.35 CCOC(=O)[C@@H](N)CCO AMY38418 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.37 CCC(CC)C(=O)OCCl AMY39888 [0,2,0,0,0,0|1,0,0]=3 327 B9R0.37 CCOC(=O)C(C=O)C=O AMY10121 [0,2,0,0,0,0|0,0,2]=4 328 B9R0.3 CC(C)(C)[S@](=O)NCCCl AMY1096 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C AMY16129 [0,2,0,0,0,0|1,0,1]=4 330 B9R0.47 C=C(C)C(=O)OCCCC AMY4150 [0,2,0,0,0,0|0,0,2]=4 331 B9R0.47 C=C(C)C(=O)OCCCO AMY18806 [0,2,0,0,0,0|0,0,2]=4 332 B9R0.10 CC(=O)CC(=O)C(C)(C)C AMY11711 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.10 CC(C)OC(=O)C(C)(C)Br AM90216 [0,2,0,0,0,0|0,0,0]=2 334 B9R0.10 CC(C)OC(=O)C(C)(C)Cl AM806596 [0,2,0,0,0,0|0,0,0]=2 335 B9R0.10 CC(C)OC(=O)C(F)(F)F AMY3618 [0,2,0,0,0,0|2,0,0]=4 336 B9R0.57 CN(C)C(=O)OC(C)(C)C AMY37772 [0,2,0,0,0,0|1,0,0]=3 337 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C AM20080245 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C AM20100454 [0,2,0,0,0,0|1,0,0]=3 339 B7R1.1 CCC1=NCCO1 AM84318 [1,0,0,1,0,0|1,0,0]=3 340 B7R1.2 CN1CCC(=O)C1 AM20100632 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.2 CN1CCC(=O)C1 AMY25051 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [1,0,0,1,0,0|1,0,0]=3 345 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [1,0,0,1,0,0|1,0,0]=3 346 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [1,0,0,1,0,0|1,0,0]=3 348 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.3 BrC1=CCCCC1 AMY38285 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.3 C=C1CCCCC1 AMY736 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.3 ClC1=CCCCC1 AM85974 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.3 O=C1CCCCN1 AM20100626 [1,0,0,1,0,0|1,0,0]=3 354 B7R1.3 O=C1CCCNC1 AM20100504 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.3 O=C1CCCNC1 AM81341 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.3 O=C1CCCOC1 AM20090251 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.3 O=C1CCCSC1 AM20090115 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.3 O=C1CCNCC1 AM100807 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.3 O=C1CCNCC1 AM20100060 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.3 O=C1CCNCC1 AM803879 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.3 O=C1CCOCC1 AM20090400 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.3 O=C1CCSCC1 AM20080026 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.3 O=C1CNCCN1 AM20100386 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.3 O=C1CNCCO1 AM62713 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.3 O=C1COCCN1 AM20080044 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.3 O=C1CSCCN1 AMY10805 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.3 O=C1NCCCN1 AM90187 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.3 O=C1NCCCO1 AMY19041 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.4 C=C1CCOC1=O AMY7315 [1,0,0,1,0,0|0,0,2]=4 370 B7R1.4 CN1CCCC1=O AM20110252 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.4 C[C@H]1CCCC1=O AM84338 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.4 C[C@H]1CCOC1=O AM20090007 [1,0,0,1,0,0|0,0,0]=2 374 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.4 N[C@H]1CCNC1=O AM20130022 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.4 N[C@H]1CCNC1=O AMY15667 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.4 N[C@H]1CCOC1=O AM20090203 [1,0,0,1,0,0|1,0,0]=3 378 B7R1.4 N[C@H]1CCOC1=O AMY21622 [1,0,0,1,0,0|1,0,0]=3 379 B7R1.4 N[C@H]1CCSC1=O AMY25724 [1,0,0,1,0,0|1,1,0]=4 380 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.4 O=C1NCC[C@H]1O AMY14450 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [1,0,0,1,0,0|1,0,0]=3 385 B7R1.22 CCC(=O)C1CC1 AMY12334 [1,0,0,1,0,0|1,0,0]=3 386 B7R1.22 COC(=O)C1CC1 AM20090368 [1,0,0,1,0,0|2,0,0]=4 387 B7R1.22 O=C(CBr)C1CC1 AM87146 [1,0,0,1,0,0|2,0,0]=4 388 B7R1.17 O=C1CCC1(F)F AMY42507 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.7 CCOC[C@H]1CO1 AM20100065 [1,0,0,1,0,0|1,0,1]=4 390 B7R1.14 CC1(C)CCCN1 AM804148 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.14 CC1(C)CCCN1 AMY17888 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.14 CC1(C)CCNC1 AM20090533 [1,0,0,1,0,0|1,0,1]=4 393 B7R1.14 CC1(C)CCNC1 AMY33663 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.14 C[C@]1(N)CCOC1 AMY33678 [1,0,0,1,0,0|1,0,1]=4 395 B9R1.22 CCN1C[C@@H](N)CC1=O AMY19565 [0,0,0,1,0,1|2,0,0]=4 396 B9R1.34 CC1CC(=O)OC(=O)C1 AMY3983 [0,0,0,1,0,1|1,0,1]=4 397 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 AMY35788 [0,0,0,1,0,1|2,0,0]=4 398 B9R1.38 CC1(C)CC(=O)OC1=O AM20090036 [0,0,0,1,0,1|1,0,1]=4 399 B9R1.66 CC1(C)CC(=O)CCO1 AM20080139 [0,0,0,1,0,1|2,0,0]=4 400 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [0,0,0,1,0,1|1,0,0]=3 401 B9R1.66 CC1(C)CCNC(=O)C1 AM90109 [0,0,0,1,0,1|1,0,0]=3 402 B9R1.66 C[C@]1(O)CCOC(=O)C1 AMY10735 [0,0,0,1,0,1|1,0,0]=3 403 B9R1.75 CCOC(=O)C=C1CC1 AMY37969 [0,0,0,1,0,1|0,0,1]=3 404 B9R1.75 CCOC(=O)CC1CC1 AMY4002 [0,0,0,1,0,1|0,0,0]=2 405 B9R1.183 CCOC(=O)C1CC1F AMY5885 [0,0,0,1,0,1|1,0,0]=3 406 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F AMY5677 [0,0,0,1,0,1|1,0,0]=3 407 B9R1.3 CC1C(=O)CCCC1=O AMY18839 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.3 CC1COCC(C)C1=O AM101044 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.3 CC1OCCC(=O)C1C AMY6076 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.3 CN1CCCN(C)C1=O AMY12538 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.37 C[C@H]1C(=O)OC(=O)N1C AMY34441 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.101 CON(C)C(=O)C1CC1 AM90054 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.110 CN(C)C(=O)C1CNC1 AMY35387 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.138 CC1(C)CNC(=O)C1=O AM90031 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.138 CC1(C)COC(=O)C1=O AMY24290 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.5 CN1CCCNCC1=O AM20100475 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.5 CN1CCCNCC1=O AMY15722 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.5 N[C@@H]1CCCCNC1=O AMY3925 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.5 N[C@H]1CCCCNC1=O AM20090060 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.5 N[C@H]1CCCCNC1=O AM803517 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.15 CO[C@H]1CCCNC1=O AM20090301 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.15 CO[C@H]1COCCC1=O AMY33743 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.15 O=C[C@@H]1CCCCC1=O AM9963 [0,1,0,1,0,0|1,0,1]=4 424 B9R1.69 C[C@H]1CN(C)CCC1=O AM20120623 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.73 CCOC(=O)C1CCC1 AM20070593 [0,1,0,1,0,0|0,0,0]=2 426 B9R1.73 CCOC(=O)C1CNC1 AM20100083 [0,1,0,1,0,0|0,0,0]=2 427 B9R1.73 CCOC(=O)C1CNC1 AM85915 [0,1,0,1,0,0|0,0,0]=2 428 B9R1.73 CCOC(=O)[C@@H]1CCN1 AMY6563 [0,1,0,1,0,0|0,0,0]=2 429 B9R1.74 CCOC(=O)C1(C)CC1 AM85886 [0,1,0,1,0,0|0,0,0]=2 430 B9R1.74 CCOC(=O)C1(N)CC1 AM20100121 [0,1,0,1,0,0|0,0,0]=2 431 B9R1.74 CCOC(=O)C1(N)CC1 AMY30774 [0,1,0,1,0,0|0,0,0]=2 432 B9R1.74 CCOC(=O)C1(O)CC1 AMY35228 [0,1,0,1,0,0|0,0,0]=2 433 B9R1.6 CC(C)[C@@H]1CNCCO1 AMY21367 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.6 CC(C)[C@@H]1CNCCO1 AMY21678 [0,1,0,1,0,0|1,0,1]=4 435 B9R1.6 CC(C)[C@@H]1COCCN1 AMY21372 [0,1,0,1,0,0|1,0,1]=4 436 B9R1.6 CC(C)[C@@H]1COCCN1 AMY21385 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.6 CC(C)[C@@H]1COCCN1 AMY21590 [0,1,0,1,0,0|1,0,1]=4 438 B9R1.6 CC(C)[C@H]1CNCCO1 AMY21677 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.6 CC(C)[C@H]1COCCN1 AMY21780 [0,1,0,1,0,0|1,0,1]=4 440 B9R1.23 CN1C[C@@H](CN)CC1=O AMY33766 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.23 CN1C[C@@H](CO)CC1=O AMY34896 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.40 CC1(C)CNCCC1=O AMY37722 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.40 CC1(C)COCCC1=O AMY6085 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.40 CC1(C)NCCNC1=O AM20090220 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.100 CCCNC(=O)C1CC1 AMY790 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.36 C[C@@H]1SC(C)(C)OC1=O AM1095 [0,1,0,1,0,0|1,0,0]=3 447 B9R2.19 O=C1NCC2CC1N2 AM806533 [0,0,0,2,0,0|2,0,0]=4 448 B9R2.39 O=C1CC2CCC1C2 AMY10402 [0,0,0,2,0,0|1,0,0]=3 449 B9R2.39 O=C1CN2CCC1C2 AM20080170 [0,0,0,2,0,0|2,0,0]=4 450 B9R2.39 O=C1CN2CCC1C2 AM20090192 [0,0,0,2,0,0|2,0,0]=4 451 B9R2.25 O=C1OC(=O)C2CC12 AM20100382 [0,0,0,2,0,0|1,0,1]=4 452 B9R0.48 CCOC(=O)C=CC(F)F AM806388 [0,0,0,0,0,2|2,0,0]=4 453 B9R0.48 CCOC(=O)CNC(C)=O AM20090112 [0,0,0,0,0,2|1,0,1]=4 454 B9R0.48 CCOC(=O)\C=C\N(C)C AM1222 [0,0,0,0,0,2|1,0,0]=3