0 B8R0.19 CCC(=O)CC(=O)OC 023871 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.19 CCC(C)CC(=O)OC 097640 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.19 COC(=O)CC(=O)OC 996204 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.19 COC(=O)OC(=O)OC 094876 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.19 O=C(CCl)OC(=O)CCl 098900 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.2 CNC(=O)CC(C)=O 240984 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.2 COC(=O)C=C(C)C 358413 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 COC(=O)CC(=O)Cl 013167 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 COC(=O)CC(=O)O 227679 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.2 COC(=O)CC(=O)[O-] 092550 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.2 COC(=O)CC(C)=O 094497 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.2 COC(=O)CC(C)C 046834 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 COC(=O)CC(N)=O 323080 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.2 COC(=O)CN(C)C 099922 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.2 COC(=O)C[C@@H](C)O 079225 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.2 COC(=O)C[C@H](C)O 208678 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.2 COC(=O)\C=C(\C)N 078507 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.3 C=CCOC(=O)OC 067150 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.3 CCCCC(=O)OC 103432 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.3 CCSCC(=O)OC 094646 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.3 CC\C=C\C(=O)OC 011184 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.3 COC(=O)\C=C\CBr 049963 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.3 COCCC(=O)OC 349308 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.3 CO\C=C\C(=O)OC 208663 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.3 C\C=C\CC(=O)OC 099391 [1,0,0,0,0,0|2,0,0]=3 25 B9R0.26 COC(=O)CC(OC)OC 094255 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.26 COC(=O)\C=C(/CCl)OC 242925 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.27 COC(=O)C(Br)C(=O)OC 103770 [0,1,0,0,0,0|1,0,0]=2 28 B9R0.27 COC(=O)C(C)C(=O)OC 241294 [0,1,0,0,0,0|1,0,0]=2 29 B9R0.27 COC(=O)C(Cl)C(=O)OC 241195 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.27 COC(=O)C(F)C(=O)OC 001555 [0,1,0,0,0,0|1,0,0]=2 31 B9R0.34 CCCC(=O)CC(=O)OC 208939 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.34 CCOC(=O)CC(=O)CBr 076501 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.34 CCOC(=O)CC(=O)CC 018694 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.34 CCOC(=O)NC(=O)CCl 009707 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.34 COCC(=O)CC(=O)OC 033038 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.42 COC(=O)CC(=O)C(C)C 014783 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.37 CC1=C(C)C(=O)OC1=O 078937 [0,0,0,1,0,0|2,0,0]=3 38 B7R0.10 C=C(CBr)C(=O)OC 092639 [0,0,0,0,1,0|3,0,0]=4 39 B7R0.10 C=C(CO)C(=O)OC 092849 [0,0,0,0,1,0|3,0,0]=4 40 B7R0.10 CCC(=O)C(=O)CC 464571 [0,0,0,0,1,0|2,0,0]=3 41 B7R0.10 CCC(=O)N(C)OC 306492 [0,0,0,0,1,0|3,0,0]=4 42 B7R0.10 CCC(Br)C(=O)OC 006777 [0,0,0,0,1,0|2,0,1]=4 43 B7R0.10 CCC(C)C(=O)OC 035885 [0,0,0,0,1,0|2,0,1]=4 44 B7R0.10 CCC(N)C(=O)OC 241817 [0,0,0,0,1,0|2,0,1]=4 45 B7R0.10 COC(=O)C(=O)CBr 214615 [0,0,0,0,1,0|2,0,0]=3 46 B7R0.10 COC(=O)C(=O)OC 094727 [0,0,0,0,1,0|0,0,0]=1 47 B7R0.10 C\C=C(/C)C(=O)OC 099352 [0,0,0,0,1,0|2,0,0]=3 48 B9R0.24 COC(=O)C#CC(=O)OC 049730 [0,0,0,0,0,1|1,0,0]=2 49 B9R0.24 COC(=O)CCC(=O)OC 094576 [0,0,0,0,0,1|1,0,0]=2 50 B9R0.24 COC(=O)CNC(=O)CN 324290 [0,0,0,0,0,1|3,0,0]=4 51 B9R0.24 COC(=O)\C=C/C(=O)OC 094584 [0,0,0,0,0,1|1,0,0]=2 52 B9R0.24 COC(=O)\C=C\C(=O)OC 001173 [0,0,0,0,0,1|1,0,0]=2 53 B6R0.1 C=CCC(=O)OC 513980 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.1 C=COC(=O)CC 005111 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.1 CC#CC(=O)OC 155800 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.1 CCCC(=O)OC 358407 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.1 CCNC(=O)OC 104168 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.1 CCOC(=O)CC 094652 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.1 CNCC(=O)OC M03234 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.1 COC(=O)CCO 223297 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.1 COC(=O)CSC 002978 [2,0,0,0,0,0|0,1,1]=4 62 B6R0.1 COC(=O)\C=C\[O-] 102950 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.1 COCC(=O)OC 358440 [2,0,0,0,0,0|0,0,1]=3 64 B6R0.1 C\C=C\C(=O)OC 236942 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.2 C=C(C)OC(C)=O 101993 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.2 CC(=O)C=C(C)C 098815 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.2 CC(=O)CC(C)=O 100600 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.2 CC(=O)CC(N)=O 444419 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.2 CC(=O)NC(N)=O 349305 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.2 CC(=O)OC(C)=O 035908 [2,0,0,0,0,0|0,0,0]=2 71 B6R0.2 CC(=O)OC(C)=O 099749 [2,0,0,0,0,0|0,0,0]=2 72 B6R0.2 CC(=O)OC(C)C 099370 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.2 CC(=O)[CH-]C(C)=O 450501 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.2 CC(=O)\C=C(\C)[O-] 095827 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.2 CC(=O)\C=C(\C)[O-] 102213 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.2 CC(=O)\C=C(\C)[O-] 103716 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.2 CC(=O)\C=C(\C)[O-] 103741 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.2 CC(=O)\C=C(\C)[O-] 415350 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.2 CC(=O)\C=C(\C)[O-] 494110 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.2 CC(C)=CC(=O)O 208603 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.2 O=C(O)CC(=O)O 020000 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.4 C(CC)=CC(=O)O 001396 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.4 CCCOC(C)=O 104128 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.4 COCCC(=O)O 091199 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.4 CO\C=C\C(C)=O 099154 [2,0,0,0,0,0|1,0,0]=3 86 B8R0.2 COC(=O)C(Cl)C(C)=O 094734 [1,1,0,0,0,0|1,0,0]=3 87 B8R0.5 CC(C)OC(=O)OCCl 239635 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.5 CCOC(=O)C=C(C)C 224509 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.5 CCOC(=O)CC(=O)Cl 069285 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.5 CCOC(=O)CC(=O)[O-] 214619 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.5 CCOC(=O)CC(C)=O 044857 [1,1,0,0,0,0|1,0,0]=3 92 B8R0.5 CCOC(=O)CC(C)=O 104605 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.5 CCOC(=O)NC(N)=O 013569 [1,1,0,0,0,0|2,0,0]=4 94 B8R0.5 CCOC(=O)OC(C)Cl 238068 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.5 CCOC(=O)\C=C(\C)N 139000 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.23 CC(=O)CC(=O)N(C)C 324094 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.24 COC(=O)CS(C)(=O)=O 003762 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.9 COC(=O)\C=C\C(C)C 011190 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.20 COC(=O)C(OC)OC 001312 [0,1,0,0,1,0|0,0,2]=4 100 B10R0.46 C=C(CC(=O)OC)C(=O)OC 078606 [0,1,0,0,0,1|1,0,0]=3 101 B10R0.46 COC(=O)C[C@H](N)C(=O)OC M03013 [0,1,0,0,0,1|1,0,0]=3 102 B10R0.46 COC(=O)C[C@H](O)C(=O)OC 079151 [0,1,0,0,0,1|1,0,0]=3 103 B10R0.134 COC(=O)CP(=O)(OC)OC 215697 [0,2,0,0,0,0|2,0,0]=4 104 B10R0.51 COC(=O)C(OC)C(=O)OC 067176 [0,2,0,0,0,0|1,0,0]=3 105 B10R0.2 CCCC(=O)CC(=O)OCC 094679 [0,2,0,0,0,0|2,0,0]=4 106 B10R0.2 CCCC(=O)OC(=O)CCC 520897 [0,2,0,0,0,0|2,0,0]=4 107 B10R0.2 CCOC(=O)CC(=O)OCC 094505 [0,2,0,0,0,0|1,0,0]=3 108 B10R0.2 CCOC(=O)OC(=O)OCC 241133 [0,2,0,0,0,0|0,0,0]=2 109 B10R0.18 CCCCC(=O)CC(=O)OC 046871 [0,2,0,0,0,0|2,0,0]=4 110 B10R0.26 CCOC(=O)CC(=O)C(C)C 014837 [0,2,0,0,0,0|2,0,0]=4 111 B10R0.93 CC(C)C(=O)OC(=O)C(C)C 097599 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.4 O=C1CCCC(=O)C1 078597 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.4 O=C1CCCC(=O)N1 446406 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.4 O=C1CCCC(=O)O1 044731 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.4 O=C1CCNC(=O)C1 044088 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.4 O=C1CCNC(=O)N1 319958 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.4 O=C1COCC(=O)O1 053467 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.18 C=C1CC(=O)OC1=O 358473 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.18 CC1=CC(=O)OC1=O 236869 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.18 CN1CC(=O)NC1=O 358231 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.18 C[C@H]1NC(=O)OC1=O 009952 [1,0,0,1,0,0|2,0,0]=4 122 B10R1.14 COC(=O)C1CCC(=O)C1 093546 [0,0,0,1,0,1|2,0,0]=4 123 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 076841 [0,0,0,1,0,1|2,0,0]=4 124 B10R1.149 COC(=O)C1CCCC1=O 092887 [0,1,0,1,0,0|2,0,0]=4 125 B6R0.3 C=C(C)C(=O)NC 241594 [1,0,0,0,1,0|2,0,0]=4 126 B6R0.3 C=C(C)C(=O)OC 995248 [1,0,0,0,1,0|1,0,0]=3 127 B6R0.3 C=C(F)C(=O)OC 092134 [1,0,0,0,1,0|1,0,1]=4 128 B6R0.3 CCC(=O)C(C)=O 464570 [1,0,0,0,1,0|1,0,0]=3 129 B6R0.3 CNC(=O)C(=O)O 023479 [1,0,0,0,1,0|1,0,0]=3 130 B6R0.3 COC(=O)C(=O)Cl 386747 [1,0,0,0,1,0|1,0,0]=3 131 B6R0.3 COC(=O)C(C)=O 094169 [1,0,0,0,1,0|0,0,0]=2 132 B6R0.3 COC(=O)C(C)Br 006778 [1,0,0,0,1,0|1,0,1]=4 133 B6R0.3 COC(=O)C(C)C 097703 [1,0,0,0,1,0|1,0,1]=4 134 B6R0.3 COC(=O)C(C)Cl 239017 [1,0,0,0,1,0|1,0,1]=4 135 B6R0.3 COC(=O)C(C)N 003683 [1,0,0,0,1,0|1,0,1]=4 136 B6R0.3 COC(=O)C(C)N 003684 [1,0,0,0,1,0|1,0,1]=4 137 B6R0.3 COC(=O)C(C)O 103470 [1,0,0,0,1,0|0,0,2]=4 138 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [1,0,0,0,1,0|1,0,1]=4 139 B6R0.3 COC(=O)[C@@H](C)N 005452 [1,0,0,0,1,0|1,0,1]=4 140 B6R0.3 COC(=O)[C@@H](C)O 219745 [1,0,0,0,1,0|0,0,2]=4 141 B6R0.3 COC(=O)[C@H](C)Cl 328935 [1,0,0,0,1,0|1,0,1]=4 142 B6R0.3 COC(=O)[C@H](C)O 099823 [1,0,0,0,1,0|0,0,2]=4 143 B6R0.3 CON(C)C(C)=O 153700 [1,0,0,0,1,0|2,0,0]=4 144 B6R0.3 C\C=C(/C)C(=O)O 099810 [1,0,0,0,1,0|2,0,0]=4 145 B10R0.59 COC(=O)CCCC(=O)OC 341738 [0,0,0,0,0,2|1,0,0]=3 146 B10R0.59 COC(=O)CSCC(=O)OC 094769 [0,0,0,0,0,2|0,1,0]=3 147 B10R0.59 COC(=O)\C=C\CC(=O)OC 463390 [0,0,0,0,0,2|1,0,0]=3