0 B7R0.7 C=C(OCC)OCC 32224 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.7 CC#CC(=O)OCC 45161 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.7 CCCC(N)CCC 12594 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.7 CCOC(=O)C=[N+]=[N-] 23911 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.7 CCOC(=O)CCBr 25427 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 CCOC(=O)CCN 10927 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.7 CCOC(=O)CNC 10917 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.7 CCOC(=O)CNN 2459 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.7 CCOC(=O)N=C=O 35995 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.7 CCOC(=O)N=C=S 11182 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.7 CCOC(=O)\C=C\I 11670 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.7 CCOP(C)OCC 35787 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.7 O=C(CCCl)CCCl 2482 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.7 [C-]#[N+]CC(=O)OCC 2345 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.1 C#CC(=O)OCC 4070 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.1 C=CC(=O)OCC 24719 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.1 CC#CC(=O)OC 12783 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.1 CCOC(=N)CCl 44863 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CCOC(=O)C#N 26282 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.1 CCOC(=O)C=O 27307 [1,0,0,0,0,0|0,1,1]=3 20 B6R0.1 CCOC(=O)CF 23757 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.1 CCOC(=O)CN 10926 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.1 CCOC(=O)NO 12451 [1,0,0,0,0,0|1,1,0]=3 23 B6R0.1 CNCC(=O)OC 10901 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.1 COC(=O)CCBr 19970 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 COC(=O)CCN 10900 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 COC(=O)NC=O 23790 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.1 COC(=O)\C=C\F 12658 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 COC(=O)\C=C\I 11669 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.1 O=C(CBr)CCBr 35308 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.1 [C-]#[N+]CC(=O)OC 36045 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.6 CCCCNCC 10254 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 CCCCOCC 12525 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.6 CCC\C=C\CO 18917 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.6 CCOCCC#N 24829 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 CCOCCCO 1937 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 COCCOCCl 10093 [1,0,0,0,0,0|1,1,1]=4 37 B8R0.1 C=COC(=O)CCCC 13121 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.1 CCOC(=O)CCC#N 31621 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.1 CCOC(=O)CCCBr 3949 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.1 CCOC(=O)CCCI 35852 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.1 CCOC(=O)NCCCl 23479 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.1 CCOC(=O)\C=C\C#N 25927 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.1 CCOC(=O)\C=C\CBr 35147 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.3 C=C(CO)C(=O)OCC 32236 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.3 CCOC(=O)C(=O)CBr 17198 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.3 CCOC(=O)C(=O)CC 24313 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.3 CCOC(=O)[C@@H](N)CO 19044 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.3 CCOC(=O)[C@@H](N)CS 10909 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.5 CC(C)OC(=O)OCCl 28997 [0,1,0,0,0,0|3,0,0]=4 50 B8R0.5 CCOC(=O)CC(=O)Cl 18139 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.5 CCOC(=O)CC(N)=O 33632 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.5 CCOC(=O)C[N+](=O)[O-] 13723 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.5 CCOC(=O)\C=C(/C)N 12589 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.5 CCOC(=O)\C=C(\C)N 12804 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.30 CCOP(C)(=O)OCC 44741 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.4 CN1CCNC(=O)C1 23318 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 24849 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 35396 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.4 C[C@H]1CNC[C@@H](C)O1 16624 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.4 NC1CCNC(=O)C1 22226 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.4 O=C1CCCC(=O)C1 11104 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.4 O=C1CCCC(=O)O1 36227 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.4 O=C1CCNC(=O)C1 22543 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.4 O=C1COCC(=O)O1 24329 [0,0,0,1,0,0|1,1,1]=4 69 B8R1.18 CC1=C(C)OC(=O)O1 2328 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.22 O=C1CCCCCC1 15555 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.22 O=C1CCCCCN1 32271 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.22 O=C1CCCCCO1 15924 [0,0,0,1,0,0|1,0,0]=2 73 B8R1.22 O=C1CCCNCC1 17662 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.37 CCOC(=O)C1CC1 11840 [0,0,0,1,0,0|1,0,0]=2 75 B8R1.37 N#CCC(=O)C1CC1 22387 [0,0,0,1,0,0|3,0,0]=4 76 B5R0.1 CC#CC(=O)O 16226 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.1 CC(=O)NCO 11062 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 CCCC(=O)Cl 13241 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.1 CCOC(=S)[S-] 36079 [2,0,0,0,0,0|0,1,1]=4 80 B5R0.1 CCOC(C)=N 2020 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.1 CCSC(C)=S 12459 [2,0,0,0,0,0|0,2,0]=4 82 B5R0.1 CNCC(=O)O 10995 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.1 N#CCC(=O)O 20139 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 NCCC(=O)O 10996 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.1 O=C(O)CCCl 13689 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.1 O=C(O)CCO 12598 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.1 O=C(O)CCS 36422 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.2 CCCNCC 10270 [2,0,0,0,0,0|1,0,1]=4 89 B5R0.2 CCOCCBr 12476 [2,0,0,0,0,0|1,0,1]=4 90 B5R0.2 CCOCCCl 1932 [2,0,0,0,0,0|1,0,1]=4 91 B5R0.2 COCCOC 18652 [2,0,0,0,0,0|0,1,1]=4 92 B5R0.3 C#CC(=O)OC 13736 [2,0,0,0,0,0|0,0,2]=4 93 B5R0.3 CCP(Cl)CC 6480 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.3 COC(=O)CN 10899 [2,0,0,0,0,0|1,0,0]=3 95 B5R0.3 COC(=O)CS 10788 [2,0,0,0,0,0|0,0,0]=2 96 B5R0.3 COC(=O)NN 17404 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.3 O=C(CO)CO 4053 [2,0,0,0,0,0|1,1,0]=4 98 B7R0.2 CC(C)NC(=O)CBr 17628 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.2 CCC(=O)CC(C)=O 24813 [1,1,0,0,0,0|1,0,0]=3 100 B7R0.2 COC(=O)C=C(C)C 35911 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.2 COC(=O)CC(C)=O 24182 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.2 COC(=O)CC(N)=S 16742 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.2 COC(=O)C[C@@H](C)O 13967 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.2 COC(=O)C[C@H](C)O 13965 [1,1,0,0,0,0|1,0,0]=3 105 B7R0.2 COC(=O)\C=C(/C)N 15699 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.3 C=CCOC(=O)OC 26330 [1,1,0,0,0,0|0,1,1]=4 107 B7R0.3 COC(=O)CCC#N 12831 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.3 COC(=O)CCC=O 29717 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.3 COC(=O)\C=C\CBr 26000 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.3 COC(=O)\C=C\CBr 26406 [1,1,0,0,0,0|1,0,1]=4 111 B7R0.3 CO\C=C\C(=O)OC 26434 [1,1,0,0,0,0|0,1,1]=4 112 B7R0.5 CCOC(=O)C(C)F 13697 [1,1,0,0,0,0|0,0,0]=2 113 B7R0.5 CCOC(=O)C(C)N 10928 [1,1,0,0,0,0|0,0,0]=2 114 B7R0.5 CCOC(=O)C(F)F 29087 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [1,1,0,0,0,0|0,0,0]=2 116 B7R0.5 CCOC(=O)[C@H](C)N 12964 [1,1,0,0,0,0|0,0,0]=2 117 B7R0.5 CCOC(=O)[C@H](C)O 26157 [1,1,0,0,0,0|0,0,0]=2 118 B7R0.10 CCC(Br)C(=O)OC 20191 [1,1,0,0,0,0|1,0,0]=3 119 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [1,1,0,0,0,0|1,0,0]=3 120 B7R0.10 COC(=O)C(Cl)CCl 24797 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.10 COC(=O)C(N)CO 10908 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.10 COC(=O)C(O)OC 17980 [1,1,0,0,0,0|0,1,0]=3 123 B7R0.10 COC(=O)[C@@H](N)CO 10895 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.10 COC(=O)[C@@H](N)CS 10881 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.10 COC(=O)[C@H](N)CO 10896 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.1 CCOCCCCCl 1933 [1,1,0,0,0,0|1,0,1]=4 127 B9R0.5 CCCCCC(=O)OCC 15737 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.5 CCOC(=O)CCCCBr 3955 [0,2,0,0,0,0|1,0,0]=3 129 B9R0.5 CCOC(=O)CCCCN 31885 [0,2,0,0,0,0|1,0,0]=3 130 B9R0.5 CCOC(=O)CCN=C=O 30451 [0,2,0,0,0,0|1,0,1]=4 131 B9R0.5 CCO\C=C\C(=O)OCC 12909 [0,2,0,0,0,0|0,1,1]=4 132 B9R0.5 CCO\C=C\C(=O)OCC 27595 [0,2,0,0,0,0|0,1,1]=4 133 B9R0.18 O=C(CCCCl)CCCCl 13593 [0,2,0,0,0,0|2,0,0]=4 134 B9R0.34 CCOC(=O)CC(=O)NN 26207 [0,2,0,0,0,0|2,0,0]=4 135 B9R0.34 CCOC(=O)C[C@@H](O)CCl 5919 [0,2,0,0,0,0|1,0,0]=3 136 B9R0.34 CCOC(=O)C[C@H](O)CC 15561 [0,2,0,0,0,0|1,0,0]=3 137 B9R0.34 CCOC(=O)C[C@H](O)CCl 5783 [0,2,0,0,0,0|1,0,0]=3 138 B9R0.34 CCOC(=O)C[C@H](O)CI 31814 [0,2,0,0,0,0|1,0,0]=3 139 B9R0.34 CCOC(=O)\C=C(/C)NC 12807 [0,2,0,0,0,0|1,0,1]=4 140 B9R0.35 CCC[C@@H](N)C(=O)OCC 34971 [0,2,0,0,0,0|1,0,0]=3 141 B9R0.35 CCC[C@H](N)C(=O)OCC 34972 [0,2,0,0,0,0|1,0,0]=3 142 B9R0.35 CCOC(=N)C(=O)OCC 35840 [0,2,0,0,0,0|0,1,1]=4 143 B9R0.48 CCOC(=O)CCC(=O)Cl 44764 [0,2,0,0,0,0|1,0,1]=4 144 B9R0.48 CCOC(=O)CCC(C)=O 11220 [0,2,0,0,0,0|1,0,0]=3 145 B9R0.48 CCOC(=O)CC[N+](=O)[O-] 27586 [0,2,0,0,0,0|2,0,0]=4 146 B9R0.48 CCOC(=O)\C=C\C(C)=O 18129 [0,2,0,0,0,0|1,0,1]=4 147 B9R0.6 CCOC(=O)C(=O)C(C)C 18179 [0,2,0,0,0,0|1,0,1]=4 148 B9R0.6 CCOC(=O)C(Br)C(C)Br 12650 [0,2,0,0,0,0|1,0,0]=3 149 B9R0.6 CCOC(=O)C(C)C(C)=O 15839 [0,2,0,0,0,0|1,0,0]=3 150 B9R0.6 CCOC(=O)C(F)C(C)=O 25422 [0,2,0,0,0,0|1,0,0]=3 151 B9R0.6 CCOC(=O)[C@@H](N)C(C)C 14928 [0,2,0,0,0,0|1,0,0]=3 152 B9R0.6 CCOC(=O)[C@H](O)C(C)C 15559 [0,2,0,0,0,0|1,0,0]=3 153 B9R0.19 CCOC(=O)C(C)(C)C#N 23352 [0,2,0,0,0,0|2,0,0]=4 154 B9R0.19 CCOC(=O)C(C)(C)CN 19345 [0,2,0,0,0,0|2,0,0]=4 155 B9R0.19 CCOC(=O)C(F)(F)CN 17369 [0,2,0,0,0,0|2,0,0]=4 156 B9R0.44 CCOC(=O)CS(C)(=O)=O 19990 [0,2,0,0,0,0|0,0,1]=3 157 B9R0.44 CCOC(=O)C[Si](C)(C)C 16058 [0,2,0,0,0,0|1,0,0]=3 158 B9R0.44 CNCC(=O)OC(C)(C)C 19034 [0,2,0,0,0,0|1,0,0]=3 159 B9R0.44 C\C=C\C(=O)OC(C)(C)C 12495 [0,2,0,0,0,0|1,0,1]=4 160 B7R1.1 CCC1=NCCO1 12821 [1,0,0,1,0,0|1,0,0]=3 161 B7R1.2 CC1=CC(=O)CC1 25608 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.2 CC1=CCC(=O)O1 16859 [1,0,0,1,0,0|0,0,2]=4 163 B7R1.2 CC1COC(=O)C1 35360 [1,0,0,1,0,0|1,0,0]=3 164 B7R1.2 CC1COC(=O)O1 27468 [1,0,0,1,0,0|0,1,0]=3 165 B7R1.2 CN1CCC(=O)C1 20342 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [1,0,0,1,0,0|0,0,0]=2 167 B7R1.2 C[C@@H]1COC(=O)O1 6059 [1,0,0,1,0,0|0,1,0]=3 168 B7R1.2 C[C@H]1COC(=O)O1 6716 [1,0,0,1,0,0|0,1,0]=3 169 B7R1.2 N[C@@H]1COC(=O)C1 14757 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.2 N[C@H]1COC(=O)C1 14758 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.2 O=C1CC(O)CO1 35886 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.2 O=C1CCC(=O)O1 21337 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.2 O=C1C[C@@H](O)CO1 6051 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.2 O=C1C[C@H](O)CO1 6050 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.3 BrC1=CCCCC1 29716 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 O=C1CCCCN1 16892 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.3 O=C1CCCCO1 20208 [1,0,0,1,0,0|0,0,0]=2 178 B7R1.3 O=C1CCCNC1 24362 [1,0,0,1,0,0|1,0,0]=3 179 B7R1.3 O=C1CCCNC1 26624 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.3 O=C1CCCOC1 15125 [1,0,0,1,0,0|0,1,0]=3 181 B7R1.3 O=C1CCCOC1 19912 [1,0,0,1,0,0|0,1,0]=3 182 B7R1.3 O=C1CCNCC1 6789 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.3 O=C1CCNCC1 7756 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.3 O=C1CCOCC1 9557 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.3 O=C1CCSCC1 18603 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.3 O=C1CNCCN1 23093 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.3 O=C1CNCCN1 8557 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.3 O=C1CNCCO1 27815 [1,0,0,1,0,0|1,0,0]=3 189 B7R1.3 O=C1COCCN1 25157 [1,0,0,1,0,0|1,1,0]=4 190 B7R1.3 O=C1COCCO1 14989 [1,0,0,1,0,0|0,1,0]=3 191 B7R1.3 O=C1NCCCN1 12422 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.3 O=S1OCCCO1 21949 [1,0,0,1,0,0|1,1,0]=4 193 B7R1.4 CC1CCNC1=O 18075 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.4 CC1OCCC1=O 7120 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.4 CC1OCCC1S 9972 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.4 CN1CCCC1=O 17618 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.4 NC1CCOC1=O 6982 [1,0,0,1,0,0|1,0,0]=3 198 B7R1.4 NC1CCSC1=O 26584 [1,0,0,1,0,0|1,1,0]=4 199 B7R1.4 N[C@@H]1CCNC1=O 24096 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.4 N[C@@H]1CCOC1=O 14743 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.4 N[C@H]1CCOC1=O 13830 [1,0,0,1,0,0|1,0,0]=3 202 B7R1.4 O=C1NCC[C@@H]1O 26213 [1,0,0,1,0,0|1,1,0]=4 203 B7R1.4 O=C1OCCC1Br 10714 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.15 C[C@@H]1NC(=O)[C@@H]1O 24549 [1,0,0,1,0,0|1,1,0]=4 205 B7R1.22 COC(=O)C1CC1 11835 [1,0,0,1,0,0|1,0,0]=3 206 B7R1.22 COC(=O)C1CO1 35239 [1,0,0,1,0,0|0,1,0]=3 207 B7R1.22 COC(=O)[C@H]1CO1 36331 [1,0,0,1,0,0|0,1,0]=3 208 B7R1.22 O=C(CBr)C1CC1 21100 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.24 C1CNCCOC1 25220 [1,0,0,1,0,0|1,0,1]=4 210 B9R1.15 CCC1CCCOC1=O 26311 [0,1,0,1,0,0|1,0,0]=3 211 B9R1.15 COC1COCCC1=O 24387 [0,1,0,1,0,0|1,1,0]=4 212 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 20488 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.22 O=C1C[C@H](O)[C@H](CO)O1 20491 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.27 CCC1=C(C)CNC1=O 12392 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.33 CCCN1CCCC1=O 9160 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.48 O=C1CCCCC(=O)C1 20261 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.49 CN1CCCC(=O)CC1 2442 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.49 CN1CCCC(=O)CC1 2443 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.5 CN1CCCCCC1=O 36383 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.5 NC1CCCCNC1=O 20137 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.5 N[C@H]1CCCCNC1=O 14097 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.74 CCOC(=O)C1(N)CC1 14733 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.34 CC1CC(=O)CC(=O)C1 14279 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.34 CC1CC(=O)CC(C)C1 35048 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.41 CC(=O)C1CCOC1=O 6957 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.66 CC1(C)CCCC(=O)C1 27316 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.137 CC(=O)CC(=O)C1CC1 21009 [0,1,0,1,0,0|2,0,0]=4 229 B9R2.87 O=C(C1CC1)C2CC2 13596 [0,0,0,2,0,0|2,0,0]=4