0 B10R0.96 CC(=O)CC(=O)CCC(=O)O TS10957 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.96 CC(C)CC(=O)OCC(C)C TS11026 [0,0,0,0,0,0|1,0,1]=2 2 B10R0.96 CC(C)COC(=O)CC(=O)C TS41891 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.4 CC(=O)CC(=O)OCC=C TS06662 [1,0,0,0,0,0|0,0,2]=3 4 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.4 CCCCC(=O)CC(C)C TS37639 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [1,0,0,0,0,0|0,0,0]=1 7 B9R0.4 CCCOC(=O)CC(C)C TS40218 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.48 CC(C)COC(=O)CC#N TS37491 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.48 CC(C)COC(=O)CC=C TS06693 [1,0,0,0,0,0|0,0,1]=2 10 B9R0.48 CC=CC(=O)OCC(C)C TS37601 [1,0,0,0,0,0|0,0,1]=2 11 B9R0.48 CCCC(=O)OCC(C)C TS06993 [1,0,0,0,0,0|0,0,1]=2 12 B9R0.48 CCOC(=O)CCC(C)C TS06969 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.55 CC(C)CCCCC(=O)O TS65177 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.55 CC(C)COCCC(=O)C TS06991 [1,0,0,0,0,0|0,0,1]=2 15 B11R0.107 CCC(C)COC(=O)CC(C)C TS45499 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.645 CC(C)CC1C(=O)NC(=O)N1 TS71577 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.645 CC(C)CC1C(=O)OC(=O)N1 TS10840 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.645 CC(C)C[C@H]1C(=O)OC(=O)N1 TS10834 [0,0,0,1,0,0|3,0,0]=4 19 B9R0.7 CC(=C)COC(=O)C(=C)C TS06472 [0,0,0,0,1,0|1,0,2]=4 20 B9R0.7 CC(C)COC(=O)C(=C)C TS37616 [0,0,0,0,1,0|1,0,0]=2 21 B9R0.7 CC(C)COC(=O)C(C)C TS40217 [0,0,0,0,1,0|1,0,1]=3 22 B9R0.7 CC(CNC(=O)C(=C)C)O TS40079 [0,0,0,0,1,0|3,0,0]=4 23 B9R0.7 CC(COC(=O)C(=C)C)O TS06952 [0,0,0,0,1,0|2,0,0]=3 24 B9R0.7 C[C@@H](C(=O)OCC(C)C)Cl TS11958 [0,0,0,0,1,0|1,0,1]=3 25 B9R0.7 C[C@H](C(=O)OCC(C)C)O TS40428 [0,0,0,0,1,0|0,0,2]=3 26 B9R0.53 CC(C)CC(=O)CC(=O)C TS06714 [0,0,0,0,1,0|0,0,0]=1 27 B9R0.53 CC(C)CC(=O)CC(C)C TS06759 [0,0,0,0,1,0|1,0,1]=3 28 B9R0.53 CC(C)CC(=O)OC(C)C TS40215 [0,0,0,0,1,0|1,0,1]=3 29 B9R0.53 CC(C)CC(=S)OC(C)C TS42226 [0,0,0,0,1,0|1,1,1]=4 30 B9R0.53 CC(C)CC(C)CC(=O)C TS37641 [0,0,0,0,1,0|1,0,1]=3 31 B9R0.53 CC(C)C[C@@H](CC(=O)O)N TS40318 [0,0,0,0,1,0|2,0,1]=4 32 B9R0.53 CC(C)C[C@@H](CC(=O)O)N TS48165 [0,0,0,0,1,0|2,0,1]=4 33 B9R0.53 CC(C)OC(=O)C=C(C)N TS01510 [0,0,0,0,1,0|1,0,1]=3 34 B9R0.53 CC(C)OC(=O)CC(=O)C TS06935 [0,0,0,0,1,0|0,0,0]=1 35 B9R0.53 CC(C)OC(=O)OC(C)C TS07212 [0,0,0,0,1,0|2,0,1]=4 36 B9R0.53 CC(C)OC(=O)OC(C)Cl TS12301 [0,0,0,0,1,0|2,0,1]=4 37 B9R0.53 CC(C)OC(C)NC(=O)C TS40319 [0,0,0,0,1,0|2,0,1]=4 38 B9R0.53 CC(C)SC(=O)C=C(C)C TS11047 [0,0,0,0,1,0|1,1,1]=4 39 B11R0.6 CC(C)CCOC(=O)CC(=O)C TS13174 [0,0,0,0,0,1|0,0,0]=1 40 B11R0.6 CC(C)CCOC(=O)CC(C)C TS45520 [0,0,0,0,0,1|1,0,1]=3 41 B11R0.85 CC(=C)COC(=O)OCC(=C)C TS12805 [0,0,0,0,0,1|1,0,2]=4 42 B11R0.85 CC(C)CCC(=O)CCC(C)C TS12883 [0,0,0,0,0,1|2,0,1]=4 43 B8R0.1 CCCC(=O)OCCC TS05549 [2,0,0,0,0,0|0,0,1]=3 44 B8R0.1 CCCC(=O)OCSC TS07493 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.1 CCCCC(=O)C=CC TS05182 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.1 CCCCC(=O)CCC TS36329 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.1 CCCOC(=O)C=CC TS05345 [2,0,0,0,0,0|0,0,1]=3 48 B8R0.1 CCCOC(=O)CC#N TS36217 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.5 CCCC(=O)CC(C)C TS05373 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.5 CCCC(C)CC(=O)C TS05394 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.5 CCNC(=O)CC(=O)C TS05458 [2,0,0,0,0,0|1,0,0]=3 52 B8R0.5 CCOC(=O)C=C(C)C TS32816 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.5 CCOC(=O)CC(=O)C TS41089 [2,0,0,0,0,0|0,0,0]=2 54 B8R0.5 CCOC(=O)CC(=O)C TS59779 [2,0,0,0,0,0|0,0,0]=2 55 B8R0.5 CCOC(=O)CC(=O)N TS01462 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.5 CCOC(=O)CC(=O)O TS39886 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.5 CCOC(=O)CC(=S)N TS07360 [2,0,0,0,0,0|1,1,0]=4 58 B8R0.5 CCOC(=O)CC(C)Br TS51949 [2,0,0,0,0,0|1,0,1]=4 59 B8R0.5 CCOC(=O)CC(C)C TS05548 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.5 CCOC(=O)CC(C)N TS32698 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.5 CCOC(=O)CC(C)O TS36658 [2,0,0,0,0,0|0,0,2]=4 62 B8R0.5 CCOC(=O)CN(C)C TS05660 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.5 CCOC(=O)C[C@@H](C)O TS05718 [2,0,0,0,0,0|0,0,2]=4 64 B8R0.5 CCOC(=O)C[N+](=O)[O-] TS01470 [2,0,0,0,0,0|2,0,0]=4 65 B8R0.5 CCOC(=O)C[S+](C)C TS52804 [2,0,0,0,0,0|2,0,0]=4 66 B8R0.5 CCOC(=O)NC(=O)C TS05638 [2,0,0,0,0,0|1,0,0]=3 67 B8R0.5 CCOC(=O)NC(=O)N TS36645 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.7 CCCC=CCC(=O)O TS36290 [2,0,0,0,0,0|2,0,0]=4 69 B8R0.7 CCCCC=CC(=O)C TS05179 [2,0,0,0,0,0|1,0,1]=4 70 B8R0.7 CCCCCCC(=O)C TS36325 [2,0,0,0,0,0|1,0,1]=4 71 B8R0.9 CC(C)CCC(=O)OC TS36500 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.9 CC(C)COC(=O)C=C TS05334 [2,0,0,0,0,0|0,0,1]=3 73 B8R0.9 CC(COC(=O)C=C)O TS36472 [2,0,0,0,0,0|1,0,1]=4 74 B8R0.9 CCC(=O)CCC(C)C TS05386 [2,0,0,0,0,0|1,0,0]=3 75 B8R0.9 CCC(=O)OCC(C)C TS05543 [2,0,0,0,0,0|0,0,0]=2 76 B10R0.6 CC(=O)CC(=O)OCCOC TS11211 [1,1,0,0,0,0|0,0,0]=2 77 B10R0.6 CCCCCC(=O)CC(=O)C TS10719 [1,1,0,0,0,0|1,0,0]=3 78 B10R0.6 CCCCOC(=O)CC(=O)C TS41890 [1,1,0,0,0,0|0,0,0]=2 79 B10R0.6 CCCCOC(=O)CC(C)C TS41947 [1,1,0,0,0,0|1,0,1]=4 80 B10R0.18 CCCCC(=O)CC(=O)OC TS41895 [1,1,0,0,0,0|1,0,0]=3 81 B10R0.18 COCCC(=O)CC(=O)OC TS11223 [1,1,0,0,0,0|2,0,0]=4 82 B10R0.32 CCOC(=O)C(=O)CC(=O)C TS59537 [1,1,0,0,0,0|2,0,0]=4 83 B10R0.44 CCC(C)NC(=O)CC(=O)C TS10870 [1,1,0,0,0,0|1,0,0]=3 84 B10R0.44 CCC(C)OC(=O)CC(=O)C TS41893 [1,1,0,0,0,0|0,0,0]=2 85 B10R0.57 CC=C(C)C(=O)OCC(C)C TS41633 [1,1,0,0,0,0|0,0,1]=3 86 B10R0.57 CC=C(C)C(=O)OCC(C)C TS41653 [1,1,0,0,0,0|0,0,1]=3 87 B10R0.57 CCC(C)C(=O)OCC(C)C TS11020 [1,1,0,0,0,0|0,0,1]=3 88 B10R0.78 CCCCC(=O)CCC(C)C TS10761 [1,1,0,0,0,0|1,0,1]=4 89 B10R0.78 CCCCC(=O)OCC(C)C TS11032 [1,1,0,0,0,0|0,0,1]=3 90 B10R0.108 CCCC(=O)OCC(CO)O TS11532 [1,1,0,0,0,0|1,0,1]=4 91 B10R0.82 CC(=C)C(=O)OCC(CBr)Br TS54882 [0,1,0,0,1,0|2,0,0]=4 92 B10R0.82 CC(=C)C(=O)OCC(CCl)O TS47627 [0,1,0,0,1,0|2,0,0]=4 93 B10R0.82 CC(=C)C(=O)OCC(CO)O TS11219 [0,1,0,0,1,0|2,0,0]=4 94 B10R0.82 CCC(C)COC(=O)C(=C)C TS41651 [0,1,0,0,1,0|1,0,0]=3 95 B10R0.92 CC(=C)C(=O)OC[Si](C)(C)C TS45532 [0,1,0,0,1,0|1,1,0]=4 96 B10R0.31 CC(=O)CC(=O)OC(C)(C)C TS01700 [0,1,0,0,1,0|0,0,0]=2 97 B10R0.31 CC(=O)CC(=O)SC(C)(C)C TS45826 [0,1,0,0,1,0|0,1,0]=3 98 B10R0.31 CC(=O)NC(=O)OC(C)(C)C TS42028 [0,1,0,0,1,0|1,0,0]=3 99 B10R0.31 CC(C)(C)OC(=O)CC(=O)O TS11209 [0,1,0,0,1,0|1,0,0]=3 100 B10R0.31 C[C@@H](CC(=O)OC(C)(C)C)N TS11170 [0,1,0,0,1,0|1,0,1]=4 101 B10R0.31 C[C@@H](CC(=O)OC(C)(C)C)O TS11267 [0,1,0,0,1,0|0,0,2]=4 102 B10R0.31 C[C@H](CC(=O)OC(C)(C)C)N TS11156 [0,1,0,0,1,0|1,0,1]=4 103 B12R0.3 CC(C)CC(=O)OC(=O)CC(C)C TS48917 [0,1,0,0,0,1|1,0,1]=4 104 B12R0.189 CC(C)CCC(=O)CCC(=O)OC TS15646 [0,1,0,0,0,1|1,0,0]=3 105 B12R0.283 CCOC(=O)CC(=O)CCC(C)C TS15647 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.8 CCC1CC(=O)CC(=O)C1 TS41889 [1,0,0,1,0,0|1,0,0]=3 107 B10R1.18 CC(=O)CC1=CCCCC1 TS37218 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.61 C1CCC(=O)C(C1)C(=O)N TS06586 [1,0,0,1,0,0|2,0,0]=4 109 B10R1.59 CC(C)C1C(=O)NC(=O)N1 TS06670 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.59 CC(C)[C@H]1C(=O)OC(=O)N1 TS06826 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.63 CC1(CCC(=O)OC1=O)C TS37559 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.64 CC(C)CC1CCCC1=O TS06505 [1,0,0,1,0,0|1,0,1]=4 113 B10R1.138 CCCC(=O)OCC1CO1 TS33238 [1,0,0,1,0,0|1,0,1]=4 114 B10R1.138 CCCC(=O)OC[C@@H]1CO1 TS64979 [1,0,0,1,0,0|1,0,1]=4 115 B10R1.138 CCCC(=O)OC[C@H]1CO1 TS32842 [1,0,0,1,0,0|1,0,1]=4 116 B10R1.205 CC(=C)C(=O)OCC1CO1 TS39871 [0,0,0,1,1,0|2,0,0]=4 117 B10R1.329 CC1(CC(=CC(=O)C1)Cl)C TS11094 [0,0,0,1,1,0|1,0,1]=4 118 B10R1.329 CC1(CC(=CC(=O)C1)N)C TS33184 [0,0,0,1,1,0|1,0,1]=4 119 B10R1.329 CC1(CC(=O)CC(=O)C1)C TS02056 [0,0,0,1,1,0|0,0,0]=2 120 B10R1.329 CC1(CC(=O)CC(=O)N1)C TS06587 [0,0,0,1,1,0|1,0,0]=3 121 B10R1.329 CC1(CC(=O)NC(=O)C1)C TS06598 [0,0,0,1,1,0|1,0,0]=3 122 B10R1.329 CC1(CC(=O)OC(=O)C1)C TS37560 [0,0,0,1,1,0|1,0,0]=3 123 B10R1.329 CC1(CC(=O)OC(=O)C1)O TS40146 [0,0,0,1,1,0|2,0,0]=4 124 B10R1.329 CC1(OC(=O)CC(=O)O1)C TS47113 [0,0,0,1,1,0|1,0,0]=3 125 B10R1.329 CC1=CC(=O)CC(C1)(C)C TS37216 [0,0,0,1,1,0|1,0,1]=4 126 B10R1.329 CC1=CC(=O)OC(O1)(C)C TS34612 [0,0,0,1,1,0|0,0,2]=4 127 B10R1.329 CC1=CC(OC(=O)C1)(C)C TS06473 [0,0,0,1,1,0|1,0,0]=3 128 B10R1.329 CC1CC(=O)CC(C1)(C)C TS06507 [0,0,0,1,1,0|1,0,1]=4 129 B12R1.498 CC(C)[C@@H]1COC(=O)N1C(=O)C TS12988 [0,0,0,1,0,1|1,0,0]=3 130 B12R1.127 CC(C)C[C@H]1C(=O)NCC(=O)N1 TS12818 [0,0,0,1,0,1|2,0,0]=4 131 B12R1.226 CC(C)COC1=CC(=O)CCC1 TS12562 [0,1,0,1,0,0|1,0,1]=4 132 B12R1.354 CN1CCC(=O)C(C1)C(=O)OC TS12993 [0,1,0,1,0,0|2,0,0]=4 133 B12R1.354 CN1CCC(=O)C(C1)C(=O)OC TS20440 [0,1,0,1,0,0|2,0,0]=4 134 B12R1.102 CC1=CC(=O)O[C@@H](O1)C(C)(C)C TS12804 [0,1,0,1,0,0|0,0,2]=4 135 B8R0.8 CC(=C)C(=O)OCCBr TS17607 [1,0,0,0,1,0|2,0,0]=4 136 B8R0.8 CC(=C)C(=O)OCCCl TS40704 [1,0,0,0,1,0|2,0,0]=4 137 B8R0.8 CC(=C)C(=O)OCCF TS36652 [1,0,0,0,1,0|2,0,0]=4 138 B8R0.8 CC(=C)C(=O)OCCN TS42970 [1,0,0,0,1,0|2,0,0]=4 139 B8R0.8 CC(=C)C(=O)OCCO TS05522 [1,0,0,0,1,0|2,0,0]=4 140 B8R0.8 CCCCC(=O)C(=O)C TS05337 [1,0,0,0,1,0|1,0,0]=3 141 B8R0.8 CCCCC(=O)C(=O)[O-] TS41093 [1,0,0,0,1,0|2,0,0]=4 142 B8R0.8 CCCOC(=O)C(=C)C TS36313 [1,0,0,0,1,0|1,0,0]=3 143 B8R0.8 CCCOC(=O)C(=O)C TS40210 [1,0,0,0,1,0|0,0,0]=2 144 B8R0.8 CCCOC(=O)C(C)O TS05710 [1,0,0,0,1,0|0,0,2]=4 145 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [1,0,0,0,1,0|0,0,2]=4 146 B8R0.28 CC(C)CC=CC(=O)C TS05196 [1,0,0,0,1,0|0,0,1]=3 147 B8R0.28 CC(C)CCCC(=C)C TS05218 [1,0,0,0,1,0|1,0,1]=4 148 B8R0.28 CC(C)CCCC(=O)O TS36507 [1,0,0,0,1,0|1,0,1]=4 149 B8R0.28 CC(C)CCNC(=O)C TS36434 [1,0,0,0,1,0|1,0,1]=4 150 B8R0.28 CC(C)CCOC(=O)C TS05553 [1,0,0,0,1,0|1,0,1]=4 151 B8R0.28 CC(C)COCC(C)C TS05584 [1,0,0,0,1,0|1,0,1]=4 152 B8R0.28 CC(C)OCCC(=O)C TS05569 [1,0,0,0,1,0|0,0,1]=3 153 B8R0.23 CC(C)C(=O)OC(C)C TS05557 [0,0,0,0,2,0|1,0,1]=4 154 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [0,0,0,0,2,0|0,0,0]=2 155 B8R0.23 CC(C)CC(=O)C(=O)O TS05517 [0,0,0,0,2,0|1,0,0]=3 156 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS41088 [0,0,0,0,2,0|1,0,0]=3 157 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS56034 [0,0,0,0,2,0|1,0,0]=3 158 B8R0.23 CC(C)CC(=O)C(C)C TS36332 [0,0,0,0,2,0|1,0,1]=4 159 B8R0.23 CC(C)NC(=O)C(=C)C TS05277 [0,0,0,0,2,0|2,0,0]=4 160 B8R0.23 CC(C)OC(=O)C(=C)C TS05342 [0,0,0,0,2,0|1,0,0]=3 161 B8R0.23 CC(C)OC(=O)C(C)O TS05725 [0,0,0,0,2,0|0,0,2]=4 162 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS12447 [0,0,0,0,2,0|1,0,1]=4 163 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS93955 [0,0,0,0,2,0|1,0,1]=4 164 B10R0.3 CCCC(=O)OCCC(C)C TS11021 [1,0,0,0,0,1|0,0,1]=3 165 B12R0.44 CC(C)CCOC(=O)CCC(=O)C TS48919 [0,0,0,0,0,2|0,0,0]=2