0 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(=O)CC(C)C AMY11098 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(=O)NC(C)C AMY3785 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CC(C)=CB(O)O AMY021 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.2 CC(C)CB(O)O AM80872 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.2 CC(C)CC(=O)O AMY40214 [0,0,0,0,0,0|0,0,2]=2 10 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,0,0,0,0,0|1,0,3]=4 12 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,0,0,0,0,0|1,0,3]=4 13 B6R0.2 CN(C)CC(=O)O AM20080064 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.2 CN(C)CC(=O)O AM81799 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,0,0,0,0,0|1,0,2]=3 17 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,0,0,0,0,0|1,0,2]=3 20 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,0,0,0,0,0|1,0,2]=3 23 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,0,0,0,0,0|1,0,2]=3 24 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,0,0,0,0,0|1,0,3]=4 26 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,0,0,0,0,0|1,0,3]=4 27 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,0,0,0,0,0|1,0,3]=4 28 B6R0.2 C[C@H](O)CN(C)C AMY13331 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.2 O=C(Cl)CC(=O)Cl AM10012 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.2 O=C(O)C=C(Cl)Cl AMY14156 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.2 O=C(O)CC(=O)O AMY11201 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.2 O=C(O)CC(F)F AMY6157 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 C#CCC(=O)O AMY19285 [1,0,0,0,0,0|0,0,3]=4 35 B5R0.1 C=CCC(C)=O AMY31929 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 CC#CC(=O)Cl AMY41204 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 CC#CC(=O)O AM90222 [1,0,0,0,0,0|0,0,2]=3 38 B5R0.1 CC(=O)CCO AMY31061 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.1 CC(=O)\C=N\O AM806560 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.1 CC(C)=CC=O AMY42093 [1,0,0,0,0,0|0,0,0]=1 41 B5R0.1 CC(C)=CCBr AMY21882 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.1 CC(C)\C=N\O AMY37290 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.1 CCCC(C)=O AMY25524 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 CCOC(N)=O AM20100253 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CNCC(=O)O AM20080021 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 CNCC(C)=O AM806508 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CNCC(N)=O AM82642 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 COCC(=O)Cl AMY40728 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 COCC(=O)O AMY4059 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.1 CSCC(N)=O AMY10906 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 C\C(Br)=C/CO AMY11209 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.1 C\C=C\C(=O)O AMY11255 [1,0,0,0,0,0|0,0,0]=1 53 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.1 C\C=C\[N+](=O)[O-] AMY23936 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.1 NCCC(=O)O AM20080020 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 NCCC(=O)O AMY22128 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 NNCC(=O)O AMY202100023 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 NOCC(=O)O AMY19484 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 O=C(O)CCBr AM20100434 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.1 O=C(O)CCF AM803932 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.1 O=C(O)CCO AM85796 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.1 O=C(O)CCS AMY27767 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.1 O=C(O)\C=C/I AMY22685 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.1 O=C(O)\C=C\I AM806037 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.2 C#CC(=O)OC(C)C AMY7054 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.2 C=CC(=O)C=C(C)C AM806643 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.2 C=CC(=O)NC(C)C AM84785 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.2 CC(C)OC(=O)CN AM81795 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,0,0,0,0|1,0,1]=3 71 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.2 CN(C)CC(=O)NN AM20120575 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.2 COC(=O)CC(=O)Cl AM90205 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.2 COC(=O)CC(=O)[O-] AMY3708 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.2 COC(=O)CC(=O)[O-] AMY3965 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.2 COC(=O)\C=C(\C)F AMY36917 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.2 COC(=O)\C=C(\C)N AM20080319 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.2 C\C(C=O)=C/N(C)C AMY28718 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.9 CC(=O)N[Si](C)(C)C AMY42260 [0,1,0,0,0,0|2,1,0]=4 89 B7R0.9 CC(=O)OC(C)(C)C AMY11033 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.9 CC(C)(C)CC(=O)O AM20080023 [0,1,0,0,0,0|0,0,2]=3 91 B7R0.9 CC(C)(C)OC(N)=O AM20100123 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.9 CC(C)(N)CC(=O)O AM20100529 [0,1,0,0,0,0|0,0,2]=3 93 B7R0.9 CC(C)(N)CC(=O)O AMY115 [0,1,0,0,0,0|0,0,2]=3 94 B7R0.9 CC(C)(N)CC(N)=O AMY120 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.9 CC(C)(O)CC(=O)[O-] AMY39074 [0,1,0,0,0,0|0,0,3]=4 96 B7R0.9 CC(F)(F)CC(=O)O AMY6154 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.9 CS(=O)(=O)CC(=O)O AMY14249 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.9 C[N+](C)(C)CC(=O)[O-] AM90357 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.9 C[N+](C)(C)CC(=O)[O-] AMY22129 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.16 C=C(C)C(=O)N(C)C AM85878 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.16 C=C(C)[C@@H](N)C(=O)O AMY23937 [0,1,0,0,0,0|0,0,2]=3 102 B7R0.16 CC(=O)C(Cl)C(C)=O AMY3866 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.16 CC(=O)N(C)C(C)=O AM20080061 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.16 CC(C)=C(Br)N(C)C AMY39897 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [0,1,0,0,0,0|0,0,2]=3 106 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [0,1,0,0,0,0|0,0,2]=3 107 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [0,1,0,0,0,0|0,0,2]=3 108 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [0,1,0,0,0,0|0,0,2]=3 109 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [0,1,0,0,0,0|0,0,2]=3 110 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [0,1,0,0,0,0|0,0,2]=3 111 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [0,1,0,0,0,0|1,0,2]=4 112 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,1,0,0,0,0|0,0,2]=3 113 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.16 CN(C)C(=O)C(=O)O AM20090487 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.16 NC(C(=O)O)C(=O)O AMY22121 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.16 O=C(O)C(O)C(=O)O AMY6179 [0,1,0,0,0,0|2,0,1]=4 121 B7R1.2 CC1=CC(=O)NO1 AMY22453 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.2 CC1=CC(Br)=CS1 AM20090389 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.2 CC1=CC(Br)=NN1 AM804058 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.2 CC1=CC(Br)=NO1 AM803594 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.2 CC1=CC(C)=NN1 AMY40839 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.2 CC1=CC(C)=NO1 AM20090405 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.2 CC1=CC(Cl)=NN1 AM20080428 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.2 CC1=CC(Cl)=NO1 AM806513 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.2 CC1=CC(N)=NN1 AM803678 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.2 CC1=CC(N)=NO1 AM20080024 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.2 CC1=CC(N)=NS1 AMY42473 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.2 CC1=CNC(C)=C1 AMY3543 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.2 CC1=COC(Br)=N1 AMY23967 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.2 CC1=COC(N)=N1 AM20090562 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.2 CC1=CSC(N)=C1 AM20080364 [0,0,0,1,0,0|1,1,1]=4 136 B7R1.2 CC1=NC(=O)ON1 AM20080700 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.2 CC1=NNC(Br)=C1 AM804068 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.2 CC1=NOC(N)=C1 AM803226 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.2 CC1=NSC(=O)O1 AMY14827 [0,0,0,1,0,0|2,1,0]=4 140 B7R1.2 CC1=NSC(N)=C1 AMY37728 [0,0,0,1,0,0|2,1,0]=4 141 B7R1.2 CC1=NSC(N)=C1 AMY37729 [0,0,0,1,0,0|2,1,0]=4 142 B7R1.2 CN1C=C(O)C=N1 AMY1942 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,0,0,1,0,0|1,0,2]=4 147 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,0,0,1,0,0|1,0,2]=4 148 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,0,0,1,0,0|1,0,2]=4 150 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.2 NC1=CC(=O)N=N1 AM20100722 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.2 NC1=CC(O)=NN1 AMY11951 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.2 NC1=NNC(O)=C1 AM20100491 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,0,0,1,0,0|1,0,2]=4 155 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,0,0,1,0,0|1,0,2]=4 156 B7R1.2 O=C1C=C(Br)CN1 AMY36765 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.2 O=C1CSC(=O)N1 AM20090236 [0,0,0,1,0,0|2,1,0]=4 160 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.12 CC1CC1C(=O)O AM803649 [0,0,0,1,0,0|0,0,2]=3 163 B7R1.12 CC1CC1C(N)=O AMY5644 [0,0,0,1,0,0|1,0,2]=4 164 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,0,0,1,0,0|0,0,2]=3 165 B7R1.12 O=C(O)C1CC1F AMY5778 [0,0,0,1,0,0|1,0,2]=4 166 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [0,0,0,1,0,0|1,0,2]=4 167 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [0,0,0,1,0,0|1,0,2]=4 168 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [0,0,0,1,0,0|1,0,2]=4 169 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [0,0,0,1,0,0|1,0,2]=4 170 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.20 O=C(O)CC1CC1 AM20100289 [0,0,0,1,0,0|0,0,2]=3 173 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,0,0,0,1,0|1,0,1]=3 174 B5R0.5 C=C(C)C(N)=O AMY13351 [0,0,0,0,1,0|1,0,1]=3 175 B5R0.5 C=C(F)C(=O)O AM84938 [0,0,0,0,1,0|1,0,1]=3 176 B5R0.5 CC(=O)C(=O)O AMY6082 [0,0,0,0,1,0|1,0,0]=2 177 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,0,0,0,1,0|1,0,1]=3 178 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,0,0,0,1,0|1,0,1]=3 179 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,0,0,0,1,0|1,0,1]=3 180 B5R0.5 CC(=O)C(C)C AMY11021 [0,0,0,0,1,0|1,0,1]=3 181 B5R0.5 CC(=O)C(O)O AMY25827 [0,0,0,0,1,0|1,0,2]=4 182 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,0,0,0,1,0|2,0,1]=4 183 B5R0.5 CC(C)B(O)O AM1192 [0,0,0,0,1,0|1,0,2]=4 184 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [0,0,0,0,1,0|1,0,2]=4 185 B5R0.5 CC(F)=C(F)F AMY37198 [0,0,0,0,1,0|3,0,0]=4 186 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,0,0,0,1,0|1,0,2]=4 187 B5R0.5 CN(C)C(=N)N AM804111 [0,0,0,0,1,0|3,0,0]=4 188 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,0,0,0,1,0|1,0,1]=3 189 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,0,0,0,1,0|1,0,1]=3 190 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,0,0,0,1,0|1,0,1]=3 191 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,0,0,0,1,0|2,0,1]=4 192 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,0,0,0,1,0|2,0,1]=4 193 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,0,0,0,1,0|1,0,1]=3 194 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,0,0,0,1,0|1,0,1]=3 195 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,0,0,0,1,0|1,0,1]=3 196 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,0,0,0,1,0|1,0,1]=3 197 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,0,0,0,1,0|1,0,1]=3 198 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,0,0,0,1,0|1,0,1]=3 199 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,0,0,0,1,0|1,0,1]=3 200 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,0,0,0,1,0|2,0,1]=4 201 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,0,0,0,1,0|2,0,1]=4 202 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,0,0,0,1,0|1,0,1]=3 203 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,0,0,0,1,0|1,0,2]=4 204 B5R0.5 NC(=O)C(N)=O AMY23583 [0,0,0,0,1,0|3,0,0]=4 205 B5R0.5 O=C(O)C(=O)O AMY514 [0,0,0,0,1,0|2,0,0]=3 206 B5R0.5 O=C(O)C(=O)O AMY6125 [0,0,0,0,1,0|2,0,0]=3 207 B5R0.5 O=C(O)C(F)F AM20100014 [0,0,0,0,1,0|2,0,1]=4 208 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,0,0,0,0,1|1,0,1]=3 209 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,0,0,0,0,1|2,0,1]=4 210 B7R0.6 CC(=O)CNC(C)=O AMY32031 [0,0,0,0,0,1|2,0,1]=4 211 B7R0.6 CC(=O)NCC(=O)O AM81782 [0,0,0,0,0,1|1,0,1]=3 212 B7R0.6 CC(=O)OCC(=O)Cl AMY39424 [0,0,0,0,0,1|2,0,1]=4 213 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,0,0,0,0,1|1,0,1]=3 214 B7R0.6 CC(=O)\C=C\N(C)C AMY31395 [0,0,0,0,0,1|2,0,0]=3 215 B7R0.6 CC(C)C=C[N+](=O)[O-] AM806526 [0,0,0,0,0,1|1,0,2]=4 216 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,0,0,0,0,1|1,0,2]=4 217 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,0,0,0,0,1|1,0,2]=4 218 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,0,0,0,0,1|0,0,2]=3 219 B7R0.6 CN(C)CCC(=O)O AM86616 [0,0,0,0,0,1|1,0,1]=3 220 B7R0.6 CN(C)\C=C\[N+](=O)[O-] AM88106 [0,0,0,0,0,1|2,0,1]=4 221 B7R0.6 O=C(O)\C=C\C(=O)O AMY30339 [0,0,0,0,0,1|2,0,0]=3 222 B7R0.6 O=C([O-])\C=C/C(=O)[O-] AMY22257 [0,0,0,0,0,1|2,0,1]=4 223 B7R0.6 O=C([O-])\C=C/C(=O)[O-] AMY22508 [0,0,0,0,0,1|2,0,1]=4 224 B7R0.6 O=C([O-])\C=C\C(=O)[O-] AMY8976 [0,0,0,0,0,1|2,0,1]=4 225 B4R0.1 C#CC(=O)O AMY7000 [2,0,0,0,0,0|0,0,2]=4 226 B4R0.1 C=C(Br)C=O AMY19362 [2,0,0,0,0,0|1,0,1]=4 227 B4R0.1 C=C(C)C=O AMY28760 [2,0,0,0,0,0|0,0,1]=3 228 B4R0.1 C=C=C(C)C AMY42296 [2,0,0,0,0,0|0,0,1]=3 229 B4R0.1 C=CC(=C)C AMY37001 [2,0,0,0,0,0|0,0,1]=3 230 B4R0.1 C=CC(=O)Cl AMY18873 [2,0,0,0,0,0|1,0,0]=3 231 B4R0.1 C=CC(=O)[O-] AMY3817 [2,0,0,0,0,0|0,0,1]=3 232 B4R0.1 C=C[C@H](C)Cl AMY617 [2,0,0,0,0,0|1,0,1]=4 233 B4R0.1 C=C[C@H](C)O AMY1257 [2,0,0,0,0,0|1,0,1]=4 234 B4R0.1 C=C[N+](=O)[O-] AMY36706 [2,0,0,0,0,0|1,0,1]=4 235 B4R0.1 CC(=N)NO AMY18111 [2,0,0,0,0,0|2,0,0]=4 236 B4R0.1 CC(=O)NO AM20100343 [2,0,0,0,0,0|2,0,0]=4 237 B4R0.1 CC(C)=CBr AM85707 [2,0,0,0,0,0|1,0,0]=3 238 B4R0.1 CC(C)=NN AM9761 [2,0,0,0,0,0|2,0,0]=4 239 B4R0.1 CC(C)=NO AM90369 [2,0,0,0,0,0|1,0,0]=3 240 B4R0.1 CCC(=O)Cl AMY4112 [2,0,0,0,0,0|1,0,1]=4 241 B4R0.1 CCC(=O)O AMY4114 [2,0,0,0,0,0|0,0,1]=3 242 B4R0.1 CCC(=O)[O-] AMY22300 [2,0,0,0,0,0|0,0,2]=4 243 B4R0.1 CCC(=O)[O-] AMY37013 [2,0,0,0,0,0|0,0,2]=4 244 B4R0.1 CN(C)C=S AMY40664 [2,0,0,0,0,0|1,1,0]=4 245 B4R0.1 CNC(C)=O AMY4115 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.1 CNC(N)=O AMY40217 [2,0,0,0,0,0|2,0,0]=4 247 B4R0.1 COC(N)=O AMY4044 [2,0,0,0,0,0|2,0,0]=4 248 B4R0.1 NCC(=O)O AM81781 [2,0,0,0,0,0|1,0,1]=4 249 B4R0.1 O=CC(=O)O AMY40947 [2,0,0,0,0,0|1,0,0]=3 250 B4R0.2 CC\C=C\Br AMY796 [2,0,0,0,0,0|1,0,1]=4 251 B4R0.2 C\C=C\CCl AMY618 [2,0,0,0,0,0|1,0,1]=4 252 B4R0.2 C\C=C\CO AMY21936 [2,0,0,0,0,0|0,0,1]=3 253 B6R0.1 CC#CC(=O)OC AMY1234 [1,1,0,0,0,0|0,0,2]=4 254 B6R0.1 CC\C=C(/C)C=O AMY2564 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.1 CNCC(=O)OC AM82645 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.1 COC(=O)CSC AMY10908 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.1 COC(=O)\C=C\I AMY21721 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.1 COCC(=O)OC AMY4063 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.1 C\C=C\C(=O)OC AMY15442 [1,1,0,0,0,0|0,0,0]=2 260 B6R0.3 C=CC(=O)N(C)C AM84856 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.3 CC(C)C(=N)NO AM803769 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.3 CC(C)\C(Cl)=N\O AMY37414 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.3 CCC(=O)C(=O)O AM90224 [1,1,0,0,0,0|0,0,1]=3 265 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [1,1,0,0,0,0|0,0,2]=4 266 B6R0.3 CCC(=O)C(C)=O AMY4046 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [1,1,0,0,0,0|0,0,2]=4 268 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [1,1,0,0,0,0|0,0,2]=4 269 B6R0.3 CC[C@H](C)C(=O)O AM802977 [1,1,0,0,0,0|0,0,2]=4 270 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [1,1,0,0,0,0|0,0,2]=4 271 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [1,1,0,0,0,0|0,0,2]=4 272 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [1,1,0,0,0,0|0,0,2]=4 273 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [1,1,0,0,0,0|0,0,2]=4 274 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.3 COC(=O)C(C)=O AMY40825 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.3 CO[C@H](C)C(=O)O AM84813 [1,1,0,0,0,0|1,0,1]=4 280 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [1,1,0,0,0,0|1,0,0]=3 281 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [1,1,0,0,0,0|0,0,0]=2 282 B6R0.3 O=C(O)C(=O)CBr AM84337 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.4 C=CCCC(=O)O AMY12553 [1,1,0,0,0,0|0,0,2]=4 284 B6R0.4 C=CNCC(=O)O AMY22733 [1,1,0,0,0,0|0,0,2]=4 285 B6R0.4 CCOCC(=O)O AMY4062 [1,1,0,0,0,0|0,0,2]=4 286 B6R0.4 CCSCC(=O)O AM20100532 [1,1,0,0,0,0|0,0,2]=4 287 B6R0.4 CN(C)\C=C\C=O AM20120332 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.4 CNCCC(=O)O AM84855 [1,1,0,0,0,0|0,0,2]=4 289 B6R0.4 COCCC(=O)O AMY2689 [1,1,0,0,0,0|0,0,2]=4 290 B6R0.4 NCCCC(=O)O AM20100372 [1,1,0,0,0,0|0,0,2]=4 291 B6R0.4 O=C(O)CCCS AM20080221 [1,1,0,0,0,0|0,0,2]=4 292 B6R0.4 O=C(O)\C=C\CBr AMY7050 [1,1,0,0,0,0|0,0,0]=2 293 B6R0.4 OB(O)\C=C\CCl AMY1186 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.5 CC(C)(C)CC=O AM20090398 [1,1,0,0,0,0|0,0,2]=4 295 B6R0.5 C[Si](C)(C)\C=C\Br AMY1268 [1,1,0,0,0,0|1,1,0]=4 296 B6R0.7 CC(=O)C(C)(C)N AM806454 [0,1,0,0,1,0|1,0,1]=4 297 B6R0.7 CC(=O)C(C)(C)O AM84347 [0,1,0,0,1,0|1,0,1]=4 298 B6R0.7 CC(C)(Br)C(=O)Br AM84723 [0,1,0,0,1,0|1,0,1]=4 299 B6R0.7 CC(C)(Br)C(=O)O AM20090161 [0,1,0,0,1,0|0,0,1]=3 300 B6R0.7 CC(C)(Br)C(N)=O AMY7268 [0,1,0,0,1,0|1,0,1]=4 301 B6R0.7 CC(C)(N)C(=O)O AM20100517 [0,1,0,0,1,0|0,0,1]=3 302 B6R0.7 CC(C)(N)C(N)=O AMY20154 [0,1,0,0,1,0|1,0,1]=4 303 B6R0.7 CC(F)(F)C(=O)O AMY1273 [0,1,0,0,1,0|1,0,1]=4 304 B8R0.9 CC=C(C)C=CC(=O)O AM806492 [0,1,0,0,0,1|0,0,0]=2 305 B8R0.9 CCC(=O)CCC(=O)O AMY30226 [0,1,0,0,0,1|1,0,1]=4 306 B8R0.9 COC(=O)CCC(=O)O AM20100028 [0,1,0,0,0,1|1,0,1]=4 307 B8R0.9 COC(=O)CCN(C)C AM807052 [0,1,0,0,0,1|1,0,1]=4 308 B8R0.9 NCC(=O)CCC(=O)O AM20100341 [0,1,0,0,0,1|1,0,1]=4 309 B8R0.9 NCC(=O)NCC(=O)O AMY25302 [0,1,0,0,0,1|1,0,1]=4 310 B8R0.23 C=C(CC(C)C)C(=O)O AM806663 [0,1,0,0,0,1|0,0,1]=3 311 B8R0.23 C=C(NC(C)=O)C(=O)O AMY22037 [0,1,0,0,0,1|1,0,0]=3 312 B8R0.23 CC(=O)N[C@@H](C)C(=O)O AM81474 [0,1,0,0,0,1|1,0,1]=4 313 B8R0.23 CC(=O)N[C@@H](C)C(=O)O AM81475 [0,1,0,0,0,1|1,0,1]=4 314 B8R0.23 CC(=O)N[C@@H](C)C(=O)O AM81476 [0,1,0,0,0,1|1,0,1]=4 315 B8R0.23 CC(=O)O[C@@H](C)C(=O)O AMY24695 [0,1,0,0,0,1|1,0,1]=4 316 B8R0.23 CC(C)CC(=O)C(=O)[O-] AMY25700 [0,1,0,0,0,1|0,0,2]=4 317 B8R0.23 CC(C)C[C@H](N)C(=O)O AM20090485 [0,1,0,0,0,1|0,0,2]=4 318 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81870 [0,1,0,0,0,1|0,0,2]=4 319 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81871 [0,1,0,0,0,1|0,0,2]=4 320 B8R0.23 CC(C)C[C@H](N)C(=O)O AMY22186 [0,1,0,0,0,1|0,0,2]=4 321 B8R0.23 CC(C)C[C@H](O)C(=O)O AMY22161 [0,1,0,0,0,1|0,0,2]=4 322 B8R0.23 CC(C)NC(=O)C(=O)O AMY10255 [0,1,0,0,0,1|0,0,1]=3 323 B8R0.23 CC(C)[C@@H](N)CC(=O)O AMY30425 [0,1,0,0,0,1|0,0,2]=4 324 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY14234 [0,1,0,0,0,1|0,0,2]=4 325 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY30426 [0,1,0,0,0,1|0,0,2]=4 326 B8R0.29 CC(C)(C)NCC(=O)O AM20090715 [0,1,0,0,0,1|0,0,2]=4 327 B8R0.29 CC(C)(C)OCC(=O)O AMY11484 [0,1,0,0,0,1|0,0,2]=4 328 B8R0.2 CCC(C)C(Br)C(=O)O AMY25125 [0,2,0,0,0,0|0,0,2]=4 329 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81860 [0,2,0,0,0,0|0,0,2]=4 330 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81861 [0,2,0,0,0,0|0,0,2]=4 331 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81840 [0,2,0,0,0,0|0,0,2]=4 332 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81842 [0,2,0,0,0,0|0,0,2]=4 333 B8R0.2 COC(=O)[C@@H](Br)C(C)=O AM85319 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.2 COC(=O)[C@@H](Br)C(C)C AM20090325 [0,2,0,0,0,0|0,0,2]=4 335 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100385 [0,2,0,0,0,0|0,0,2]=4 336 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100557 [0,2,0,0,0,0|0,0,2]=4 337 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100674 [0,2,0,0,0,0|0,0,2]=4 338 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY16025 [0,2,0,0,0,0|0,0,2]=4 339 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY31877 [0,2,0,0,0,0|0,0,2]=4 340 B8R0.2 COC(=O)[C@H](O)C(C)C AMY16017 [0,2,0,0,0,0|0,0,2]=4 341 B8R0.2 CON(C)C(=O)C(C)=O AMY7760 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O AM82265 [0,2,0,0,0,0|0,0,2]=4 343 B8R0.2 O=C\C(Br)=C(/Br)C(=O)O AMY13700 [0,2,0,0,0,0|1,0,1]=4 344 B8R0.5 CC(C)OC(=O)OCCl AM20090681 [0,2,0,0,0,0|1,0,1]=4 345 B8R0.5 CCOC(=O)C=C(F)F AMY14713 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.5 CCOC(=O)CC(=O)O AMY3657 [0,2,0,0,0,0|1,0,1]=4 347 B8R0.5 CCOC(=O)CN(C)C AMY3944 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.5 COCC(=O)OC(C)C AMY3876 [0,2,0,0,0,0|1,0,1]=4 349 B8R0.16 CO\C(C=O)=C/N(C)C AM20080541 [0,2,0,0,0,0|1,0,0]=3 350 B8R0.19 CCC(=O)CC(=O)OC AMY21932 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.19 COC(=N)CC(=O)OC AMY31003 [0,2,0,0,0,0|1,0,1]=4 352 B8R0.19 COC(=O)CC(=O)OC AMY10014 [0,2,0,0,0,0|1,0,1]=4 353 B8R0.19 COC(=O)\C=C(/C)C=O AMY39195 [0,2,0,0,0,0|0,0,1]=3 354 B8R0.24 CC(C)(C)OC(=O)CO AMY202100090 [0,2,0,0,0,0|1,0,1]=4 355 B8R0.24 CC(C)(C)OC(=O)NO AM20090572 [0,2,0,0,0,0|1,0,1]=4 356 B8R0.27 CC(C)(C)C(=O)C(=O)O AMY31056 [0,2,0,0,0,0|0,0,1]=3 357 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O AMY13616 [0,2,0,0,0,0|0,0,2]=4 358 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090175 [0,2,0,0,0,0|0,0,2]=4 359 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090329 [0,2,0,0,0,0|0,0,2]=4 360 B8R0.27 CC(C)(C)[C@H](N)C(=O)O AM20090501 [0,2,0,0,0,0|0,0,2]=4 361 B8R0.27 CC(C)(C)[C@H](O)C(=O)O AMY13579 [0,2,0,0,0,0|0,0,2]=4 362 B8R0.27 CC(C)(S)[C@H](N)C(=O)O AM83710 [0,2,0,0,0,0|0,0,2]=4 363 B8R0.27 CC(C)(S)[C@H](N)C(=O)O AMY42343 [0,2,0,0,0,0|0,0,2]=4 364 B8R0.18 CC(C)[C@H](CN)C(=O)O AM9635 [0,2,0,0,0,0|0,0,2]=4 365 B8R0.18 CN[C@@H](C(=O)O)C(C)C AMY22718 [0,2,0,0,0,0|0,0,2]=4 366 B8R0.18 CN[C@H](C(=O)O)C(C)C AM82389 [0,2,0,0,0,0|0,0,2]=4 367 B8R0.18 CN[C@H](C(=O)O)C(C)C AM9218 [0,2,0,0,0,0|0,0,2]=4 368 B8R0.18 CN[C@H](C(=O)O)C(C)C AM9482 [0,2,0,0,0,0|0,0,2]=4 369 B6R1.2 BrC1=CC=CO1 AMY11096 [1,0,0,1,0,0|1,0,1]=4 370 B6R1.2 BrC1=CC=NO1 AMY42513 [1,0,0,1,0,0|2,0,0]=4 371 B6R1.2 BrC1=COC=C1 AM81635 [1,0,0,1,0,0|1,0,1]=4 372 B6R1.2 BrC1=NOC=C1 AM802930 [1,0,0,1,0,0|2,0,0]=4 373 B6R1.2 CC1=CC=CN1 AMY18997 [1,0,0,1,0,0|2,0,0]=4 374 B6R1.2 CC1=CC=CO1 AMY11051 [1,0,0,1,0,0|1,0,1]=4 375 B6R1.2 CC1=CC=CS1 AMY23234 [1,0,0,1,0,0|2,0,0]=4 376 B6R1.2 CC1=CC=NN1 AM20120265 [1,0,0,1,0,0|2,0,0]=4 377 B6R1.2 CC1=CC=NO1 AM20100414 [1,0,0,1,0,0|2,0,0]=4 378 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,1,0,0|1,0,1]=4 379 B6R1.2 CC1=CNC=C1 AMY14173 [1,0,0,1,0,0|1,0,1]=4 380 B6R1.2 CC1=COC=N1 AMY32123 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.2 CC1=CSC=C1 AMY40151 [1,0,0,1,0,0|0,1,1]=4 382 B6R1.2 CC1=NNC=C1 AM62623 [1,0,0,1,0,0|2,0,0]=4 383 B6R1.2 NC1=CC=NO1 AM20080357 [1,0,0,1,0,0|2,0,0]=4 384 B6R1.2 NC1=NOC=C1 AM20090043 [1,0,0,1,0,0|2,0,0]=4 385 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,1,0,0|1,0,0]=3 386 B6R1.2 O=C1C=CCO1 AM20100212 [1,0,0,1,0,0|0,0,0]=2 387 B6R1.2 O=C1C=CNN1 AMY11929 [1,0,0,1,0,0|2,0,0]=4 388 B6R1.2 O=C1NCCO1 AMY39498 [1,0,0,1,0,0|1,0,1]=4 389 B6R1.2 O=C1OC=CO1 AMY10397 [1,0,0,1,0,0|1,0,1]=4 390 B6R1.2 OC1=NNC=C1 AMY4993 [1,0,0,1,0,0|2,0,0]=4 391 B6R1.2 OC1=NOC=C1 AMY12303 [1,0,0,1,0,0|2,0,0]=4 392 B6R1.3 O=CNC1CC1 AM804092 [1,0,0,1,0,0|1,0,1]=4 393 B6R1.5 CC1CC(=O)C1 AM806996 [1,0,0,1,0,0|0,0,2]=4 394 B6R1.11 O=C(O)C1CC1 AM83282 [1,0,0,1,0,0|0,0,2]=4 395 B8R1.3 CC1=CN=C(O)C=C1 AM20050596 [0,0,0,1,0,1|1,0,1]=4 396 B8R1.3 CC1=CN=C(O)C=N1 AM84718 [0,0,0,1,0,1|1,0,1]=4 397 B8R1.3 CC1=CN=C(O)N=C1 AM803876 [0,0,0,1,0,1|1,0,1]=4 398 B8R1.3 CC1=NC=C(O)C=C1 AM20061678 [0,0,0,1,0,1|1,0,1]=4 399 B8R1.3 CC1=NC=C(O)C=N1 AMY10280 [0,0,0,1,0,1|2,0,0]=4 400 B8R1.3 CC1=NNC(=O)C=C1 AM20080238 [0,0,0,1,0,1|2,0,0]=4 401 B8R1.3 CC1=NNC(=O)CC1 AMY24896 [0,0,0,1,0,1|2,0,0]=4 402 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,0,0,1,0,1|1,0,1]=4 403 B8R1.23 C=C1CC(C(=O)O)C1 AM20070595 [0,0,0,1,0,1|0,0,2]=4 404 B8R1.23 CC1CC(C(=O)O)C1 AM804062 [0,0,0,1,0,1|0,0,2]=4 405 B8R1.23 CN1CC(C(=O)O)C1 AM20110258 [0,0,0,1,0,1|1,0,1]=4 406 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 AMY34068 [0,0,0,1,0,1|0,0,2]=4 407 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 AMY34302 [0,0,0,1,0,1|0,0,2]=4 408 B8R1.23 O=C1CC(C(=O)O)C1 AM20070608 [0,0,0,1,0,1|1,0,1]=4 409 B8R1.23 O=C1C[C@@H](C(=O)O)N1 AM20080461 [0,0,0,1,0,1|1,0,1]=4 410 B8R1.23 O=C1C[C@@H](C(=O)O)N1 AM80921 [0,0,0,1,0,1|1,0,1]=4 411 B8R1.35 O=C(O)CCC1CC1 AM8844 [0,0,0,1,0,1|0,0,2]=4 412 B8R1.35 O=C(O)\C=C\C1CC1 AMY34843 [0,0,0,1,0,1|0,0,1]=3 413 B8R1.51 CC1(C)C=CC(=O)C1 AMY17841 [0,0,0,1,0,1|1,0,1]=4 414 B8R1.77 CC1(C)C[C@@H]1C(=O)O AMY21208 [0,0,0,1,0,1|0,0,2]=4 415 B8R1.1 CC1=CC(C=O)=NO1 AM804146 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.1 CC1=CC(CCl)=NO1 AMY27043 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.1 CC1=CC(CN)=NO1 AM20080394 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.1 CC1=CC(CO)=NN1 AM806535 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.1 CC1=CC(CO)=NO1 AM85740 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.1 CC1=CNC(C=O)=C1 AMY17862 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.1 CC1=CSC(C=O)=C1 AM804119 [0,1,0,1,0,0|0,1,1]=4 422 B8R1.1 CC1=CSC(CO)=C1 AM804307 [0,1,0,1,0,0|0,1,1]=4 423 B8R1.1 CC1=NNC(C=O)=C1 AM803701 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.1 CC1=NNC(CO)=C1 AMY32726 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.1 CC1=NOC(CBr)=C1 AMY23827 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.1 CC1=NOC(CN)=C1 AMY18673 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.1 CCC1=NOC(N)=C1 AMY10596 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.1 CNC1=NOC(C)=C1 AM100950 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.1 COC1=CC(=O)NC1 AMY31183 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.1 O=C1C=C(CBr)CO1 AMY20313 [0,1,0,1,0,0|0,0,0]=2 431 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,1,0,1,0,0|0,0,2]=4 432 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [0,1,0,1,0,0|1,0,1]=4 434 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.4 CC1=CC(=O)NN=C1 AM20100351 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.4 CC1=CC(O)=CN=C1 AM803896 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.4 CC1=CC(O)=NC=C1 AM803166 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.4 CC1=CC(O)=NC=N1 AM20090555 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.4 CC1=CC=CC(O)=C1 AM62795 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.4 CC1=NC=CC(O)=C1 AM803417 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.18 CC1=CC(=O)O[C@@H]1O AMY11083 [0,1,0,1,0,0|0,0,0]=2 444 B8R1.18 CC1=CC(N)=NN1C AM807020 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.18 CC1=NN(C)C(O)=C1 AM20100282 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.18 O=C1C=C(Br)C(=O)O1 AMY844 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.31 CC1CCC1C(=O)O AM807028 [0,1,0,1,0,0|0,0,2]=4 448 B8R1.31 CC1NCC1C(=O)O AMY35766 [0,1,0,1,0,0|0,0,2]=4 449 B8R1.34 CC(=O)C=C1COC1 AMY5443 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.34 O=C(O)C=C1CCC1 AMY33602 [0,1,0,1,0,0|0,0,0]=2 451 B8R1.34 O=C(O)CC1CCC1 AM807029 [0,1,0,1,0,0|0,0,2]=4 452 B8R1.34 O=C(O)CC1CNC1 AMY33688 [0,1,0,1,0,0|0,0,2]=4 453 B8R1.34 O=C(O)CC1CNC1 AMY38757 [0,1,0,1,0,0|0,0,2]=4 454 B8R1.34 O=C(O)CC1COC1 AMY19671 [0,1,0,1,0,0|0,0,2]=4 455 B8R1.34 O=C(O)CN1CCC1 AMY21704 [0,1,0,1,0,0|1,0,1]=4 456 B8R1.34 O=[N+]([O-])C=C1COC1 AM20020055 [0,1,0,1,0,0|1,0,1]=4 457 B8R1.40 COC(=O)CC1CC1 AMY34208 [0,1,0,1,0,0|0,0,2]=4 458 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,1,0,1,0,0|0,0,0]=2 459 B8R1.50 CC1=NOC(C)=C1Br AM81393 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.50 CC1=NOC(C)=C1I AM20080002 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.50 CC1=NOC(C)=C1N AMY17783 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.50 CC1=NOC(N)=C1C AMY37010 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.50 O=C1COC(=O)[C@H]1Br AM807274 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.54 N[C@H](C(=O)O)C1CC1 AM803956 [0,1,0,1,0,0|0,0,2]=4 465 B8R1.54 N[C@H](C(=O)O)C1CC1 AMY14385 [0,1,0,1,0,0|0,0,2]=4 466 B8R1.54 N[C@H](C(=O)O)C1CC1 AMY36516 [0,1,0,1,0,0|0,0,2]=4 467 B8R1.54 O=C(O)C(=O)C1CC1 AM86577 [0,1,0,1,0,0|0,0,1]=3 468 B8R0.28 CC(=O)C\C=C\C(=O)O AMY24785 [0,0,0,0,0,2|1,0,0]=3 469 B8R0.28 CC(=O)NCCC(=O)O AM83102 [0,0,0,0,0,2|1,0,1]=4 470 B8R0.28 CC(C)=CCNC(=N)N AMY36795 [0,0,0,0,0,2|2,0,0]=4 471 B8R0.28 CC(C)COCC(=O)O AM85004 [0,0,0,0,0,2|0,0,2]=4 472 B8R0.28 CN(C)CCCC(=O)O AMY31363 [0,0,0,0,0,2|1,0,1]=4 473 B8R0.28 CN(C)C\C=C\C(=O)Cl AMY14966 [0,0,0,0,0,2|2,0,0]=4 474 B8R0.28 CN(C)C\C=C\C(=O)O AM20120398 [0,0,0,0,0,2|1,0,0]=3