0 B10R0.2 CCC[C@H](O)CC(=O)OCC D70264 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.2 CCOC(=N)CC(=N)OCC D81868 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.2 CCOC(=N)CC(=O)OCC 89099 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.2 CCOC(=O)CC(=O)COC 74076 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.2 CCOC(=O)CC(=O)OCC D78522 [0,0,0,0,0,0|0,0,0]=0 5 B10R0.2 CCOC(=O)C[C@@H](O)CCN 56047 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.2 CCOC(=O)NC(=O)CC#N 22873 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.2 CCOC(=O)NC(=O)OCC AC1286 [0,0,0,0,0,0|1,0,0]=1 8 B10R0.2 CCOC(=O)OC(=O)OCC H11295 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.5 CCCNCC(=O)OCC 20892 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.5 CCC\C=C\C(=O)OCC D90567 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.5 CCOC(=O)CCCCBr 78992 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.5 CCOC(=O)COCCCl 30785 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.5 CCOC=CC(=O)OCC CL4510 [1,0,0,0,0,0|0,0,1]=2 14 B9R0.5 CCO\C=C\C(=O)OCC F11937 [1,0,0,0,0,0|0,0,1]=2 15 B9R0.5 C\C=C\C=C\C(=O)OCC D78104 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.34 CCCC(=O)CC(=O)OC F16755 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.34 CCOC(=O)CC(=O)CBr 34205 [1,0,0,0,0,0|1,0,0]=2 18 B9R0.34 CCOC(=O)CC(=O)CC 28527 [1,0,0,0,0,0|0,0,0]=1 19 B9R0.34 CCOC(=O)CC(=O)CCl D77354 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.34 CCOC(=O)CC(=O)NC F20489 [1,0,0,0,0,0|1,0,0]=2 21 B9R0.34 CCOC(=O)CC(=O)NN 76579 [1,0,0,0,0,0|2,0,0]=3 22 B9R0.34 CCOC(=O)C[C@H](O)CCl 23033 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.34 CCOC(=O)C[C@H](O)CCl 23075 [1,0,0,0,0,0|1,0,2]=4 24 B9R0.34 CCOC(=O)\C=C(/C)NC AC7636 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.34 COCC(=O)CC(=O)OC 76660 [1,0,0,0,0,0|2,0,0]=3 26 B11R0.1 CCOC(=O)CC(=O)CC(C)C AB1436 [0,1,0,0,0,0|1,0,0]=2 27 B11R0.5 C=CCCC(=O)CC(=O)OCC D82674 [0,1,0,0,0,0|1,0,1]=3 28 B11R0.5 CCCCC(=O)CC(=O)OCC F16750 [0,1,0,0,0,0|1,0,0]=2 29 B11R0.177 CCOC(=O)C(=O)C(=O)OCC 76504 [0,1,0,0,0,0|0,0,1]=2 30 B11R0.177 CCOC(=O)C(=O)C(=O)OCC F15416 [0,1,0,0,0,0|0,0,1]=2 31 B11R0.177 CCOC(=O)C(Br)C(=O)OCC 76500 [0,1,0,0,0,0|0,0,0]=1 32 B11R0.177 CCOC(=O)C(C)C(=O)OCC D70973 [0,1,0,0,0,0|0,0,0]=1 33 B11R0.177 CCOC(=O)C(Cl)C(=O)OCC 79107 [0,1,0,0,0,0|0,0,0]=1 34 B11R0.177 CCOC(=O)C(F)C(=O)OCC FD2094 [0,1,0,0,0,0|0,0,0]=1 35 B11R0.177 CCOC(=O)C(N)C(=O)OCC AB7005 [0,1,0,0,0,0|0,0,0]=1 36 B11R0.177 CCOC(=O)C(O)C(=O)OCC D94505 [0,1,0,0,0,0|0,0,0]=1 37 B11R1.199 CCOC(=O)C1=C(N)CCC1 AT23521 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.199 CCOC(=O)C1CCCC1N D75786 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.199 CCOC(=O)[C@@H]1CCCC1=O TD8086 [0,0,0,1,0,0|1,0,0]=2 40 B11R1.199 CCOC(=O)[C@@H]1CCOC1=O D82353 [0,0,0,1,0,0|0,0,0]=1 41 B11R1.199 CCOC(=O)[C@@H]1CNCC1=O 36549 [0,0,0,1,0,0|2,0,0]=3 42 B11R1.199 CCOC(=O)[C@@H]1COCC1=O 72464 [0,0,0,1,0,0|2,0,0]=3 43 B11R1.199 CCOC(=O)[C@@H]1CSCC1=O 69818 [0,0,0,1,0,0|2,0,0]=3 44 B11R1.334 CCOC(=O)CC(=O)C1CC1 29558 [0,0,0,1,0,0|1,0,0]=2 45 B11R1.840 CCOC(=O)CC1(O)CCC1 89655 [0,0,0,1,0,0|1,0,2]=4 46 B9R0.35 CCCC(=O)C(=O)OCC 34423 [0,0,0,0,1,0|1,0,0]=2 47 B9R0.35 CCC[C@H](Br)C(=O)OCC H11305 [0,0,0,0,1,0|2,0,1]=4 48 B9R0.35 CCC[C@H](N)C(=O)OCC 64698 [0,0,0,0,1,0|2,0,1]=4 49 B9R0.35 CCC[C@H](O)C(=O)OCC D90546 [0,0,0,0,1,0|1,0,2]=4 50 B9R0.35 CCOC(=N)C(=O)OCC 36102 [0,0,0,0,1,0|1,0,0]=2 51 B9R0.35 CCOC(=O)[C@H](Cl)OCC F20949 [0,0,0,0,1,0|1,0,1]=3 52 B11R0.62 CCOC(=O)C#CC(=O)OCC 23154 [0,0,0,0,0,1|0,0,1]=2 53 B11R0.62 CCOC(=O)NNC(=O)OCC A10105 [0,0,0,0,0,1|1,0,0]=2 54 B11R0.62 CCOC(=O)\C=C/C(=O)OCC D70233 [0,0,0,0,0,1|0,0,1]=2 55 B11R0.62 CCOC(=O)\N=N\C(=O)OCC 74086 [0,0,0,0,0,1|1,0,0]=2 56 B8R0.1 CCC#CC(=O)OCC AB21618 [2,0,0,0,0,0|0,0,2]=4 57 B8R0.1 CCOC(=O)CCCBr F11167 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.1 CCOC(=O)CCCI 74907 [2,0,0,0,0,0|1,0,1]=4 59 B8R0.1 CCOC(=O)CCCN 20516 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.1 CCOC(=O)CCNC 30981 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.1 CCOC(=O)CCOC D91424 [2,0,0,0,0,0|0,0,1]=3 62 B8R0.1 CCOC(=O)CCSC D90571 [2,0,0,0,0,0|0,1,1]=4 63 B8R0.1 CCOC(=O)\C=C\CBr 12202 [2,0,0,0,0,0|1,0,1]=4 64 B8R0.1 CCOCC(=O)OCC D81905 [2,0,0,0,0,0|0,0,0]=2 65 B8R0.6 CCC\C=C\C(=O)OC 28979 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.6 CCC\C=C\C(=O)OC AC7684 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.6 CCNCCC(=O)OC 31591 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.6 CC\C=C\CC(=O)OC D93382 [2,0,0,0,0,0|1,0,0]=3 69 B8R0.5 CCOC(=O)C=C(C)C O11780 [2,0,0,0,0,0|1,0,1]=4 70 B8R0.5 CCOC(=O)CC(=N)N AR2171 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.5 CCOC(=O)CC(=O)Cl S10339 [2,0,0,0,0,0|1,0,0]=3 72 B8R0.5 CCOC(=O)CC(=O)O F20358 [2,0,0,0,0,0|0,0,0]=2 73 B8R0.5 CCOC(=O)CC(=O)[O-] 28442 [2,0,0,0,0,0|0,0,1]=3 74 B8R0.5 CCOC(=O)CC(N)=O 33127 [2,0,0,0,0,0|1,0,0]=3 75 B8R0.5 CCOC(=O)CC(N)=S F20893 [2,0,0,0,0,0|1,1,0]=4 76 B8R0.5 CCOC(=O)CN(C)C D78232 [2,0,0,0,0,0|2,0,0]=4 77 B8R0.5 CCOC(=O)C[C@H](C)Br 29510 [2,0,0,0,0,0|1,0,1]=4 78 B8R0.5 CCOC(=O)C[C@H](C)N A11039 [2,0,0,0,0,0|1,0,1]=4 79 B8R0.5 CCOC(=O)C[C@H](C)N AC9275 [2,0,0,0,0,0|1,0,1]=4 80 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [2,0,0,0,0,0|0,0,2]=4 81 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [2,0,0,0,0,0|0,0,2]=4 82 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [2,0,0,0,0,0|0,0,2]=4 83 B8R0.5 CCOC(=O)C[N+](=O)[O-] 76581 [2,0,0,0,0,0|1,0,1]=4 84 B8R0.5 CCOC(=O)NC(C)=O W18296 [2,0,0,0,0,0|1,0,0]=3 85 B8R0.5 CCOC(=O)NC(N)=O FD10635 [2,0,0,0,0,0|2,0,0]=4 86 B8R0.5 CCOC(=O)\C=C(\C)I AC5957 [2,0,0,0,0,0|1,0,1]=4 87 B8R0.5 CCOC(=O)\C=C(\C)N A11031 [2,0,0,0,0,0|1,0,1]=4 88 B8R0.5 CCOC(=O)\C=C(\C)N AB1419 [2,0,0,0,0,0|1,0,1]=4 89 B8R0.19 CCC(=O)CC(=O)CC O11824 [2,0,0,0,0,0|0,0,0]=2 90 B8R0.19 CCC(=O)CC(=O)OC AC7866 [2,0,0,0,0,0|0,0,0]=2 91 B8R0.19 COC(=O)CC(=O)CCl S12341 [2,0,0,0,0,0|1,0,0]=3 92 B8R0.19 COC(=O)CC(=O)OC D72530 [2,0,0,0,0,0|0,0,0]=2 93 B8R0.19 COC(=O)OC(=O)OC D95912 [2,0,0,0,0,0|1,0,0]=3 94 B10R0.1 CCOC(=O)CCCCCBr 73728 [1,1,0,0,0,0|1,0,1]=4 95 B10R0.1 CCOC(=O)CCCCCN V10012 [1,1,0,0,0,0|1,0,1]=4 96 B10R0.1 CCOC(=O)CCCCCO A11137 [1,1,0,0,0,0|1,0,1]=4 97 B10R0.1 CCOC(=O)COCCCCl AC8364 [1,1,0,0,0,0|2,0,0]=4 98 B10R0.6 CCCCCC(=O)OC(C)C D89305 [1,1,0,0,0,0|1,0,1]=4 99 B10R0.6 CCCOCC(=O)OC(C)C D81295 [1,1,0,0,0,0|2,0,0]=4 100 B10R0.19 CCCC[C@H](Br)C(=O)OCC D95689 [1,1,0,0,0,0|1,0,1]=4 101 B10R0.19 CCO\C=C(/C)C(=O)OCC W11446 [1,1,0,0,0,0|0,0,1]=3 102 B10R0.19 CCO\C=C(\C)C(=O)OCC AC2259 [1,1,0,0,0,0|0,0,1]=3 103 B10R0.91 CCCCCC(=O)OCCC D92174 [1,1,0,0,0,0|1,0,1]=4 104 B10R0.18 CCCCC(=O)CC(=O)OC H10810 [1,1,0,0,0,0|1,0,0]=3 105 B10R0.18 CCOCC(=O)CC(=O)OC D95601 [1,1,0,0,0,0|0,0,0]=2 106 B10R0.26 CCOC(=O)CC(=O)C(C)C O11797 [1,1,0,0,0,0|0,0,0]=2 107 B10R0.26 CCOC(=O)CC(=O)C(F)F FD2057 [1,1,0,0,0,0|1,0,0]=3 108 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC FD21806 [1,1,0,0,0,0|1,0,1]=4 109 B10R0.44 COC(=O)CC(=O)CC(C)C S11515 [1,1,0,0,0,0|1,0,0]=3 110 B10R0.46 COC(=O)CC(=O)C(=O)OC D97368 [1,1,0,0,0,0|2,0,0]=4 111 B10R0.32 CCOC(=O)C(=O)CC(C)=O F10311 [0,1,0,0,1,0|1,0,1]=4 112 B12R0.69 C=C(CC(=O)OCC)C(=O)OCC D91100 [0,1,0,0,0,1|0,0,0]=2 113 B12R0.69 CCCC(=O)CC(=O)C(=O)OCC N12033 [0,1,0,0,0,1|1,0,0]=3 114 B12R0.69 CCOC(=O)CC(=O)C(=O)OCC 20612 [0,1,0,0,0,1|0,0,0]=2 115 B12R0.69 CCOC(=O)C[C@H](N)C(=O)OCC 34740 [0,1,0,0,0,1|0,0,0]=2 116 B12R0.69 CCOC(=O)C[C@H](N)C(=O)OCC C10260 [0,1,0,0,0,1|0,0,0]=2 117 B12R0.69 CCOC(=O)C[C@H](O)C(=O)OCC D81853 [0,1,0,0,0,1|0,0,0]=2 118 B12R0.69 CCOC(=O)C[C@H](O)C(=O)OCC H11051 [0,1,0,0,0,1|0,0,0]=2 119 B12R0.69 CCOC(=O)[C@H](C)SC(=S)OCC D95402 [0,1,0,0,0,1|0,1,0]=3 120 B12R0.69 CCOC(=O)[CH-]C(=O)C(=O)OCC P16485 [0,1,0,0,0,1|0,0,1]=3 121 B12R0.3 CC(C)CC(=O)CC(=O)CC(C)C F16446 [0,2,0,0,0,0|2,0,0]=4 122 B12R0.3 CC(C)OC(=O)CC(=O)OC(C)C D72519 [0,2,0,0,0,0|0,0,0]=2 123 B12R0.78 CCOC(=O)CC(=O)OC(C)(C)C O12141 [0,2,0,0,0,0|0,0,0]=2 124 B12R0.103 CCCOC(=O)CC(=O)OCCC H11316 [0,2,0,0,0,0|0,0,0]=2 125 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 20701 [0,2,0,0,0,0|1,0,0]=3 126 B12R0.8 CC=C(C(=O)OCC)C(=O)OCC D71114 [0,2,0,0,0,0|0,0,1]=3 127 B12R0.8 CCOC(=O)C(=CCl)C(=O)OCC 48189 [0,2,0,0,0,0|0,0,1]=3 128 B12R0.8 CCOC(=O)C(=CN)C(=O)OCC 33397 [0,2,0,0,0,0|0,0,1]=3 129 B12R0.731 CCOC(=O)C(Br)(Br)C(=O)OCC C10834 [0,2,0,0,0,0|0,0,0]=2 130 B12R0.731 CCOC(=O)C(C)(Br)C(=O)OCC 76499 [0,2,0,0,0,0|0,0,0]=2 131 B12R0.731 CCOC(=O)C(C)(C)C(=O)OCC I10195 [0,2,0,0,0,0|0,0,0]=2 132 B12R0.731 CCOC(=O)C(C)(F)C(=O)OCC C73193 [0,2,0,0,0,0|0,0,0]=2 133 B12R0.731 CCOC(=O)C(F)(F)C(=O)OCC FD2014 [0,2,0,0,0,0|0,0,0]=2 134 B12R0.22 CCOC(=O)CC(OCC)OCC CL4507 [0,2,0,0,0,0|0,0,2]=4 135 B10R1.10 CCOC1=CC(=O)CCC1 60943 [1,0,0,1,0,0|1,0,1]=4 136 B10R1.11 CCOC(=O)[C@@H]1CCCN1 73266 [1,0,0,1,0,0|2,0,0]=4 137 B10R1.11 CCOC(=O)[C@@H]1CCCN1 F10609 [1,0,0,1,0,0|2,0,0]=4 138 B10R1.11 CCOC(=O)[C@@H]1CCCO1 F19887 [1,0,0,1,0,0|2,0,0]=4 139 B10R1.11 CCOC(=O)[C@H]1CCNC1 23797 [1,0,0,1,0,0|1,0,1]=4 140 B10R1.11 CCOC(=O)[C@H]1CCNC1 90547 [1,0,0,1,0,0|1,0,1]=4 141 B10R1.11 CCOC(=O)[C@H]1CCNC1 90548 [1,0,0,1,0,0|1,0,1]=4 142 B10R1.137 CCOC(=O)C=C1CCC1 RB3329 [1,0,0,1,0,0|1,0,1]=4 143 B10R1.137 CCOC(=O)CC1CCC1 83274 [1,0,0,1,0,0|1,0,1]=4 144 B10R1.138 CCOC(=O)CNC1CC1 20926 [1,0,0,1,0,0|2,0,0]=4 145 B10R1.134 COC(=O)CC(=O)C1CC1 71192 [1,0,0,1,0,0|1,0,0]=3 146 B10R1.149 COC(=O)[C@@H]1CCCC1=O FD9017 [1,0,0,1,0,0|1,0,0]=3 147 B10R1.149 COC(=O)[C@@H]1COCC1=O 39228 [1,0,0,1,0,0|2,0,0]=4 148 B10R1.149 COC(=O)[C@@H]1CSCC1=O 96575 [1,0,0,1,0,0|2,0,0]=4 149 B10R1.2 CCN1CCNC(=O)C1=O AT13732 [0,0,0,1,1,0|2,0,0]=4 150 B10R1.4 CCOC1=CCCCC1=O F13432 [0,0,0,1,1,0|2,0,0]=4 151 B12R1.17 CCOC(=O)N1CCCC(=O)C1 AB7241 [0,0,0,1,0,1|1,0,0]=3 152 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 60738 [0,0,0,1,0,1|1,0,0]=3 153 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O D82565 [0,0,0,1,0,1|1,0,0]=3 154 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O 29472 [0,0,0,1,0,1|1,0,0]=3 155 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O 83355 [0,1,0,1,0,0|1,0,0]=3 156 B12R1.308 CCOC(=O)[C@@H]1CCCNC1=O P10016 [0,1,0,1,0,0|1,0,0]=3 157 B12R1.308 CCOC(=O)[C@@H]1CCNCC1=O 74094 [0,1,0,1,0,0|1,0,0]=3 158 B12R1.308 CCOC(=O)[C@@H]1CNCCC1=O 60700 [0,1,0,1,0,0|1,0,0]=3 159 B12R1.308 CCOC(=O)[C@@H]1CSCCC1=O 80185 [0,1,0,1,0,0|1,0,0]=3 160 B12R1.460 C=CCOC(=O)[C@@H]1CCCC1=O AC2196 [0,1,0,1,0,0|1,0,1]=4 161 B12R1.519 CCOC(=O)CC(=O)C1CCC1 29445 [0,1,0,1,0,0|1,0,0]=3 162 B12R1.1618 CCOC(=O)CC1(C)OCCO1 C10648 [0,1,0,1,0,0|0,0,2]=4 163 B12R1.1578 CCOC(=O)CS(=O)(=O)C1CC1 AC2281 [0,1,0,1,0,0|2,0,0]=4 164 B8R0.3 C=C(CBr)C(=O)OCC 60939 [1,0,0,0,1,0|2,0,0]=4 165 B8R0.3 C=C(CO)C(=O)OCC 35200 [1,0,0,0,1,0|2,0,0]=4 166 B8R0.3 CCOC(=O)C(=O)CBr 23027 [1,0,0,0,1,0|1,0,0]=3 167 B8R0.3 CCOC(=O)C(=O)CC RB3244 [1,0,0,0,1,0|0,0,0]=2 168 B8R0.3 CCOC(=O)C(=O)NC W11374 [1,0,0,0,1,0|1,0,0]=3 169 B8R0.3 CCOC(=O)C(=O)NN 24733 [1,0,0,0,1,0|2,0,0]=4 170 B8R0.3 CCOC(=O)[C@@H](Br)CC D70575 [1,0,0,0,1,0|1,0,1]=4 171 B8R0.3 CCOC(=O)[C@@H](N)CC 29271 [1,0,0,0,1,0|1,0,1]=4 172 B8R0.3 CCOC(=O)[C@@H](N)CC 90200 [1,0,0,0,1,0|1,0,1]=4 173 B8R0.3 CCOC(=O)[C@@H](N)CC D84487 [1,0,0,0,1,0|1,0,1]=4 174 B8R0.3 C\C=C(/C)C(=O)OCC D94746 [1,0,0,0,1,0|1,0,1]=4 175 B12R0.285 CCOC(=O)CCCC(=O)OCC AC7843 [0,0,0,0,0,2|0,0,0]=2 176 B12R0.285 CCOC(=O)CNCC(=O)OCC F16486 [0,0,0,0,0,2|0,0,0]=2 177 B12R0.285 CCOC(=O)CSCC(=O)OCC 60186 [0,0,0,0,0,2|0,0,0]=2