0 B7R0.7 C=C(OCC)OCC 32224 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.7 CC#CC(=O)OCC 45161 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.7 CCOC(=O)C=[N+]=[N-] 23911 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCOC(=O)CCBr 25427 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.7 CCOC(=O)CCN 10927 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.7 CCOC(=O)CNC 10917 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.7 CCOC(=O)CNN 2459 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.7 CCOC(=O)N=C=O 35995 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.7 CCOC(=O)N=C=S 11182 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.7 CCOC(=O)\C=C\I 11670 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.7 CCOP(C)OCC 35787 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.7 [C-]#[N+]CC(=O)OCC 2345 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.1 C#CC(=O)OCC 4070 [1,0,0,0,0,0|0,0,2]=3 13 B6R0.1 C=CC(=O)OCC 24719 [1,0,0,0,0,0|0,0,0]=1 14 B6R0.1 CC#CC(=O)OC 12783 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.1 CCOC(=N)CCl 44863 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CCOC(=O)C#N 26282 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.1 CCOC(=O)C=O 27307 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.1 CCOC(=O)CF 23757 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.1 CCOC(=O)CN 10926 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.1 CCOC(=O)NO 12451 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CC\C=C(/C)C=O 36081 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 CNCC(=O)OC 10901 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.1 COC(=O)CCBr 19970 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.1 COC(=O)CCN 10900 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.1 COC(=O)NC=O 23790 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 COC(=O)\C=C\F 12658 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.1 COC(=O)\C=C\I 11669 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.1 [C-]#[N+]CC(=O)OC 36045 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.6 CCCCOCC 12525 [1,0,0,0,0,0|0,0,3]=4 30 B6R0.6 CCC\C=C\CO 18917 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 C\C=C\C=C\CO 13747 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.1 C=COC(=O)CCCC 13121 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.1 CCOC(=O)CCC#N 31621 [0,1,0,0,0,0|0,0,3]=4 34 B8R0.1 CCOC(=O)CCCBr 3949 [0,1,0,0,0,0|0,0,2]=3 35 B8R0.1 CCOC(=O)CCCI 35852 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.1 CCOC(=O)NCCCl 23479 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.1 CCOC(=O)\C=C\C#N 25927 [0,1,0,0,0,0|0,0,1]=2 38 B8R0.1 CCOC(=O)\C=C\CBr 35147 [0,1,0,0,0,0|0,0,0]=1 39 B8R0.3 C=C(CO)C(=O)OCC 32236 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.3 CCOC(=O)C(=O)CBr 17198 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.3 CCOC(=O)C(=O)CC 24313 [0,1,0,0,0,0|0,0,1]=2 42 B8R0.3 CCOC(=O)[C@@H](N)CO 19044 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.3 CCOC(=O)[C@@H](N)CS 10909 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.5 CC(C)OC(=O)OCCl 28997 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.5 CCN\C(C)=C\C(C)=O 12816 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.5 CCOC(=O)CC(=O)Cl 18139 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,1,0,0,0,0|0,0,1]=2 48 B8R0.5 CCOC(=O)CC(N)=O 33632 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [0,1,0,0,0,0|0,0,2]=3 51 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.5 CCOC(=O)C[N+](=O)[O-] 13723 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.5 CCOC(=O)\C=C(/C)N 12589 [0,1,0,0,0,0|0,0,0]=1 54 B8R0.5 CCOC(=O)\C=C(\C)N 12804 [0,1,0,0,0,0|0,0,0]=1 55 B8R0.30 CCOP(C)(=O)OCC 44741 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.4 CC1=CC(=O)NN=C1 11016 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.4 CN1CCNC(=O)C1 23318 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.4 NC1=CC(=O)CCC1 14449 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.4 O=C1CCCC(=O)C1 11104 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.4 O=C1CCCC(=O)O1 36227 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.4 O=C1CCNC(=O)C1 22543 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.4 O=C1CCNC(=O)N1 35825 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.8 CCOC1=NC=CS1 9943 [0,0,0,1,0,0|1,1,1]=4 64 B8R1.18 CC1=C(C)OC(=O)O1 2328 [0,0,0,1,0,0|1,0,1]=3 65 B8R1.18 CC1=C(C)OC(N)=N1 23942 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.18 CC1=CC(=O)OC1=O 35240 [0,0,0,1,0,0|1,0,1]=3 67 B8R1.18 CC1=CC(C)=NN1C 20856 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.18 CC1=NC(C)=C(C)O1 8636 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.18 CC1=NC(C)OC1C 8654 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.22 O=C1CCCCCC1 15555 [0,0,0,1,0,0|1,0,2]=4 71 B8R1.22 O=C1CCCCCN1 32271 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.22 O=C1CCCCCO1 15924 [0,0,0,1,0,0|0,0,2]=3 73 B8R1.37 CCOC(=O)C1CC1 11840 [0,0,0,1,0,0|0,0,2]=3 74 B5R0.1 CC#CC(=O)O 16226 [2,0,0,0,0,0|0,0,2]=4 75 B5R0.1 CC(=O)NCO 11062 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 CC(=O)\C=N\O 13359 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 CC(=O)\C=N\O 31878 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 CC(C)=CC=O 3075 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.1 CCCC(=O)Cl 13241 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 CCOC(=S)[S-] 36079 [2,0,0,0,0,0|1,1,0]=4 81 B5R0.1 CCOC(C)=N 2020 [2,0,0,0,0,0|1,0,0]=3 82 B5R0.1 CCSC(C)=S 12459 [2,0,0,0,0,0|0,2,0]=4 83 B5R0.1 CNCC(=O)O 10995 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.1 C\C=C\B(O)O 6022 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.1 O=C(O)\C=C\Cl 35750 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.1 O=C(O)\C=C\I 11671 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.2 CO\C=C\C#N 24705 [2,0,0,0,0,0|1,0,1]=4 88 B5R0.3 C#CC(=O)OC 13736 [2,0,0,0,0,0|0,0,2]=4 89 B5R0.3 C=CC(=O)CBr 13741 [2,0,0,0,0,0|1,0,0]=3 90 B5R0.3 C=CC(=O)CO 32353 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.3 COC(=O)CN 10899 [2,0,0,0,0,0|1,0,1]=4 92 B5R0.3 COC(=O)CS 10788 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.3 COC(=O)NN 17404 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.2 C=CC(=O)NC(C)C 35024 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.2 CCC(=O)CC(C)=O 24813 [1,1,0,0,0,0|0,0,1]=3 96 B7R0.2 CC\C(C)=C\C(=O)O 13986 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.2 CN\C(C)=C\C(C)=O 12814 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.2 COC(=O)C=C(C)C 35911 [1,1,0,0,0,0|0,0,0]=2 99 B7R0.2 COC(=O)CC(C)=O 24182 [1,1,0,0,0,0|0,0,1]=3 100 B7R0.2 COC(=O)CC(N)=S 16742 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.2 COC(=O)C[C@@H](C)O 13967 [1,1,0,0,0,0|0,0,2]=4 102 B7R0.2 COC(=O)C[C@H](C)O 13965 [1,1,0,0,0,0|0,0,2]=4 103 B7R0.2 COC(=O)NC(N)=O 12458 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.2 COC(=O)\C=C(/C)N 15699 [1,1,0,0,0,0|0,0,0]=2 105 B7R0.3 C=CCOC(=O)OC 26330 [1,1,0,0,0,0|0,0,2]=4 106 B7R0.3 COC(=O)CCC=O 29717 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.3 COC(=O)\C=C\CBr 26000 [1,1,0,0,0,0|0,0,0]=2 108 B7R0.3 COC(=O)\C=C\CBr 26406 [1,1,0,0,0,0|0,0,0]=2 109 B7R0.3 CO\C=C\C(=O)OC 26434 [1,1,0,0,0,0|0,0,0]=2 110 B7R0.5 CCOC(=O)C(C)F 13697 [1,1,0,0,0,0|0,0,1]=3 111 B7R0.5 CCOC(=O)C(C)N 10928 [1,1,0,0,0,0|0,0,1]=3 112 B7R0.5 CCOC(=O)C(F)F 29087 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [1,1,0,0,0,0|0,0,1]=3 114 B7R0.5 CCOC(=O)[C@H](C)N 12964 [1,1,0,0,0,0|0,0,1]=3 115 B7R0.5 CCOC(=O)[C@H](C)O 26157 [1,1,0,0,0,0|0,0,1]=3 116 B7R0.5 CCOC(=S)C(N)=O 24587 [1,1,0,0,0,0|1,1,0]=4 117 B7R0.10 C=C(CBr)C(=O)OC 17371 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.10 C=C(CCl)C(=O)OC 17372 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.10 C=C(CO)C(=O)OC 17373 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.10 CCC(Br)C(=O)OC 20191 [1,1,0,0,0,0|0,0,2]=4 121 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [1,1,0,0,0,0|0,0,2]=4 122 B7R0.10 COC(=O)C(O)OC 17980 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.1 CCCC\C=C\CO 18918 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.4 CCC\C=C\C(C)=O 18920 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.4 CCO\C=C\C(=O)O 20958 [1,1,0,0,0,0|1,0,0]=3 126 B9R0.5 CCCCCC(=O)OCC 15737 [0,2,0,0,0,0|0,0,2]=4 127 B9R0.5 CCOC(=O)CCCCBr 3955 [0,2,0,0,0,0|0,0,2]=4 128 B9R0.5 CCOC(=O)CCCCN 31885 [0,2,0,0,0,0|0,0,2]=4 129 B9R0.5 CCO\C=C\C(=O)OCC 12909 [0,2,0,0,0,0|0,0,0]=2 130 B9R0.5 CCO\C=C\C(=O)OCC 27595 [0,2,0,0,0,0|0,0,0]=2 131 B9R0.34 CCOC(=O)CC(=O)NN 26207 [0,2,0,0,0,0|1,0,1]=4 132 B9R0.34 CCOC(=O)C[C@@H](O)CCl 5919 [0,2,0,0,0,0|0,0,2]=4 133 B9R0.34 CCOC(=O)C[C@H](O)CC 15561 [0,2,0,0,0,0|0,0,2]=4 134 B9R0.34 CCOC(=O)C[C@H](O)CCl 5783 [0,2,0,0,0,0|0,0,2]=4 135 B9R0.34 CCOC(=O)C[C@H](O)CI 31814 [0,2,0,0,0,0|0,0,2]=4 136 B9R0.34 CCOC(=O)\C=C(/C)NC 12807 [0,2,0,0,0,0|0,0,0]=2 137 B9R0.35 CCC[C@@H](N)C(=O)OCC 34971 [0,2,0,0,0,0|0,0,2]=4 138 B9R0.35 CCC[C@H](N)C(=O)OCC 34972 [0,2,0,0,0,0|0,0,2]=4 139 B9R0.35 CCOC(=N)C(=O)OCC 35840 [0,2,0,0,0,0|0,0,1]=3 140 B9R0.48 CCOC(=O)CCC(=O)Cl 44764 [0,2,0,0,0,0|1,0,1]=4 141 B9R0.48 CCOC(=O)CCC(C)=O 11220 [0,2,0,0,0,0|0,0,1]=3 142 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] 26661 [0,2,0,0,0,0|0,0,1]=3 143 B9R0.48 CCOC(=O)\C=C\C(C)=O 18129 [0,2,0,0,0,0|0,0,0]=2 144 B9R0.6 CCOC(=O)C(=O)C(C)C 18179 [0,2,0,0,0,0|0,0,1]=3 145 B9R0.6 CCOC(=O)C(Br)C(C)Br 12650 [0,2,0,0,0,0|0,0,2]=4 146 B9R0.6 CCOC(=O)C(C)C(C)=O 15839 [0,2,0,0,0,0|0,0,1]=3 147 B9R0.6 CCOC(=O)C(F)C(C)=O 25422 [0,2,0,0,0,0|0,0,1]=3 148 B9R0.6 CCOC(=O)[C@@H](N)C(C)C 14928 [0,2,0,0,0,0|0,0,2]=4 149 B9R0.6 CCOC(=O)[C@H](O)C(C)C 15559 [0,2,0,0,0,0|0,0,2]=4 150 B9R0.37 CCOC(=O)\C(C#N)=N\O 21633 [0,2,0,0,0,0|1,0,1]=4 151 B9R0.44 CCOC(=O)CS(C)(=O)=O 19990 [0,2,0,0,0,0|1,0,1]=4 152 B9R0.44 CCOC(=O)C[Si](C)(C)C 16058 [0,2,0,0,0,0|0,1,1]=4 153 B9R0.44 CNCC(=O)OC(C)(C)C 19034 [0,2,0,0,0,0|1,0,1]=4 154 B9R0.44 C\C=C\C(=O)OC(C)(C)C 12495 [0,2,0,0,0,0|0,0,0]=2 155 B9R0.53 CC(C)=CC(=O)C=C(C)C 29047 [0,2,0,0,0,0|1,0,1]=4 156 B7R1.1 CCC1=CC=CS1 5536 [1,0,0,1,0,0|0,1,1]=4 157 B7R1.1 CCC1=NCCO1 12821 [1,0,0,1,0,0|1,0,1]=4 158 B7R1.1 COC1=CC=CO1 19998 [1,0,0,1,0,0|0,0,2]=4 159 B7R1.1 COC1=CC=CS1 12545 [1,0,0,1,0,0|0,1,1]=4 160 B7R1.1 COC1=CSC=C1 8863 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.2 CC1=CC(=O)CC1 25608 [1,0,0,1,0,0|0,0,0]=2 162 B7R1.2 CC1=CC(C)=NO1 8641 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.2 CC1=CC=C(Br)O1 36047 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.2 CC1=CC=C(O)O1 22254 [1,0,0,1,0,0|0,0,2]=4 165 B7R1.2 CC1=CCC(=O)O1 16859 [1,0,0,1,0,0|0,0,2]=4 166 B7R1.2 CC1=COC(O)=C1 22255 [1,0,0,1,0,0|0,0,2]=4 167 B7R1.2 CC1=NOC(=O)N1 22560 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.2 CC1=NOC(Br)=C1 22269 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.2 CC1COC(=O)C1 35360 [1,0,0,1,0,0|0,0,2]=4 170 B7R1.2 CC1COC(=O)O1 27468 [1,0,0,1,0,0|1,0,0]=3 171 B7R1.2 CN1CCC(=O)C1 20342 [1,0,0,1,0,0|1,0,1]=4 172 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [1,0,0,1,0,0|0,0,1]=3 173 B7R1.2 C[C@@H]1COC(=O)O1 6059 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.2 C[C@H]1COC(=O)O1 6716 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.2 O=C1C=C(O)CO1 21770 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.2 O=C1C=CC(=O)O1 16845 [1,0,0,1,0,0|1,0,1]=4 177 B7R1.2 O=C1C=CC(O)C1 27265 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.2 O=C1C=CC(O)O1 25366 [1,0,0,1,0,0|1,0,0]=3 179 B7R1.2 O=C1CCC(=O)N1 13765 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.2 O=C1CCC(=O)O1 21337 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.3 BrC1=CCCCC1 29716 [1,0,0,1,0,0|1,0,1]=4 182 B7R1.3 O=C1CCCCN1 16892 [1,0,0,1,0,0|1,0,1]=4 183 B7R1.3 O=C1CCCCO1 20208 [1,0,0,1,0,0|0,0,1]=3 184 B7R1.3 O=C1CCCNC1 24362 [1,0,0,1,0,0|1,0,1]=4 185 B7R1.3 O=C1CCCNC1 26624 [1,0,0,1,0,0|1,0,1]=4 186 B7R1.3 O=C1CCCOC1 15125 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.3 O=C1CCCOC1 19912 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.3 O=C1CNCCO1 27815 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.3 O=C1COCCO1 14989 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.3 O=C1NCCCN1 12422 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.3 O=S1OCCCO1 21949 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.4 CC1CCNC1=O 18075 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.4 CN1CCCC1=O 17618 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.4 NC1CCOC1=O 6982 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.4 N[C@@H]1CCOC1=O 14743 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.4 N[C@H]1CCOC1=O 13830 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.4 O=C1OCCC1Br 10714 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.22 COC(=O)C1CC1 11835 [1,0,0,1,0,0|0,0,2]=4 199 B7R1.22 COC(=O)C1CO1 35239 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.22 COC(=O)[C@H]1CO1 36331 [1,0,0,1,0,0|1,0,1]=4 201 B9R1.7 CCOC1=CC(N)=NO1 18596 [0,1,0,1,0,0|1,0,1]=4 202 B9R1.8 CCOC1=CC=NC=C1 1125 [0,1,0,1,0,0|1,0,1]=4 203 B9R1.8 CCOC1=NC=CC=C1 1126 [0,1,0,1,0,0|1,0,1]=4 204 B9R1.15 CCC1CCCOC1=O 26311 [0,1,0,1,0,0|0,0,2]=4 205 B9R1.22 CC1=C(CCl)OC(=O)O1 10542 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.22 CC1=C(CO)OC(=O)O1 35663 [0,1,0,1,0,0|1,0,1]=4 207 B9R1.27 CCC1=C(C)CNC1=O 12392 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.27 CCC1=C(C)NC=C1C 29942 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.27 CCN1C(=O)C=CC1=O 25770 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.33 C=C=CN1CCOC1=O 11695 [0,1,0,1,0,0|0,0,2]=4 211 B9R1.48 O=C1CCCCC(=O)C1 20261 [0,1,0,1,0,0|1,0,1]=4 212 B9R1.37 CC1=C(C)C(=O)OC1=O 17647 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.37 CC1=C(O)C(=O)C(C)O1 6962 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.74 CCOC(=O)C1(N)CC1 14733 [0,1,0,1,0,0|0,0,2]=4 215 B9R1.34 CC1=CC(=O)C=C(C)O1 18806 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.34 CC1=CC(=O)OC(C)=C1 9568 [0,1,0,1,0,0|0,0,1]=3 217 B9R1.34 CC1=CC(O)=CC(=O)O1 9569 [0,1,0,1,0,0|0,0,2]=4 218 B9R1.34 CC1CC(=O)CC(=O)C1 14279 [0,1,0,1,0,0|1,0,1]=4 219 B9R1.38 CC1(C)OC(=O)NC1=O 8629 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.41 CC(=O)C1CCOC1=O 6957 [0,1,0,1,0,0|0,0,1]=3 221 B9R1.41 CC(=O)N1CC=CC1=O 18628 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.41 CC(=O)N1CCNC1=O 7585 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.137 CC(=O)CC(=O)C1CC1 21009 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.23 CC1=C(C)SC(C=O)=C1 20559 [0,1,0,1,0,0|0,1,1]=4