0 B9R0.5 CCC=CCC(=O)OCC E47083 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.5 CCCC=CC(=O)OCC E47082 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.5 CCOC(=O)CCCCBr E39295 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.5 CCOC(=O)CCCCN E46517 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.5 CCOC(=O)COCCCl E41531 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.5 CCOC=CC(=O)OCC E43814 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.1 CCOC(=O)CCC#N E63052 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.1 CCOC(=O)CCCBr B69333 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.1 CCOC(=O)CCCI E31893 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.1 CCOC(=O)CCCN E43487 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.1 CCOC(=O)CCNC E41584 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.1 CCOC(=O)CCSC E39202 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.1 CCOC(=O)\C=C\C=O E69342 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.1 CCOC(=O)\C=C\CBr E43399 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.1 CCOCC(=O)OCC E41554 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.6 CCCC=CC(=O)OC M43802 [1,0,0,0,0,0|0,0,0]=1 18 B8R0.6 CCCCCC(=O)CBr B43868 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.6 CCCCNC(=O)CCl B41547 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.6 CNCCCC(=O)OC M43486 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.6 COC(=O)CCCCBr M41523 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.6 COC(=O)CCCCCl M63406 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.6 COC(=O)CCCCN M43490 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.6 COC(=O)COCCCl M41275 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.6 COCCCC(=O)OC M68350 [1,0,0,0,0,0|1,0,2]=4 26 B10R0.1 CCOC(=O)CCCCCBr E39444 [0,1,0,0,0,0|0,0,2]=3 27 B10R0.1 CCOC(=O)CCCCCO E47160 [0,1,0,0,0,0|0,0,2]=3 28 B10R0.1 CCOC(=O)CNCCC#N E46482 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,1,0,0,0,0|0,0,1]=2 30 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,1,0,0,0,0|0,0,2]=3 31 B10R0.2 CCOC(=N)CC(=O)OCC E37761 [0,1,0,0,0,0|1,0,1]=3 32 B10R0.2 CCOC(=O)CC(=O)COC E69590 [0,1,0,0,0,0|1,0,1]=3 33 B10R0.2 CCOC(=O)NC(=O)CC#N C43243 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.3 C=C(C)CCCC(=O)OCC E50504 [0,1,0,0,0,0|0,0,3]=4 35 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,1,0,0,0,0|0,0,3]=4 36 B10R0.19 CCCCC(=O)C(=O)OCC E12153 [0,1,0,0,0,0|0,0,1]=2 37 B10R0.19 CCOC(=O)[C@@H](N)CCCN E63673 [0,1,0,0,0,0|1,0,2]=4 38 B10R0.19 CCOC=C(C)C(=O)OCC E47098 [0,1,0,0,0,0|1,0,0]=2 39 B10R0.91 CCCCCC(=O)OCCC P50580 [0,1,0,0,0,0|0,0,2]=3 40 B10R1.11 CCOC(=O)C1=CC=CN1 E22399 [0,0,0,1,0,0|1,0,2]=4 41 B10R1.11 CCOC(=O)C1=CC=NO1 E43160 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.11 CCOC(=O)C1=CN=CN1 E22557 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.11 CCOC(=O)C1=CN=CO1 E10769 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.11 CCOC(=O)C1=CN=CS1 E9760 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.11 CCOC(=O)C1=CN=NS1 E41038 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.11 CCOC(=O)C1=CNC=C1 E46399 [0,0,0,1,0,0|1,0,2]=4 47 B10R1.11 CCOC(=O)C1=CNN=C1 E8068 [0,0,0,1,0,0|2,0,1]=4 48 B10R1.11 CCOC(=O)C1=COC=C1 E69380 [0,0,0,1,0,0|1,0,2]=4 49 B10R1.11 CCOC(=O)C1=COC=N1 E2170 [0,0,0,1,0,0|2,0,1]=4 50 B10R1.11 CCOC(=O)C1=CON=C1 E8088 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.11 CCOC(=O)C1=CSC=C1 E46245 [0,0,0,1,0,0|1,0,2]=4 52 B10R1.11 CCOC(=O)C1=CSC=N1 E2134 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.11 CCOC(=O)C1=NNC=C1 E0715 [0,0,0,1,0,0|2,0,1]=4 54 B10R1.11 CCOC(=O)C1=NOC=C1 E7434 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,0,0,1,0,0|1,0,1]=3 56 B10R1.11 CCOC(=O)[C@@H]1CSCN1 E61537 [0,0,0,1,0,0|2,0,1]=4 57 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [0,0,0,1,0,0|1,0,1]=3 58 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [0,0,0,1,0,0|1,0,2]=4 59 B10R1.29 CCCCN1CCCC1=O B68886 [0,0,0,1,0,0|2,0,1]=4 60 B10R1.78 O=C1CCCCCCCN1 A62814 [0,0,0,1,0,0|1,0,2]=4 61 B10R1.130 CCCC1=CC(=O)O[C@@H]1O H43725 [0,0,0,1,0,0|1,0,0]=2 62 B10R1.137 CCOC(=O)C=C1CCC1 E47017 [0,0,0,1,0,0|0,0,0]=1 63 B10R1.137 CCOC(=O)C=C1COC1 E1599 [0,0,0,1,0,0|1,0,0]=2 64 B7R0.3 CCCOC(=O)OC M40388 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.3 CNCCC(=O)OC M40412 [2,0,0,0,0,0|1,0,1]=4 66 B7R0.3 COC(=O)C=CCBr M37461 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.3 COC(=O)CCCBr M39189 [2,0,0,0,0,0|1,0,1]=4 68 B7R0.3 COC(=O)CCCCl M60517 [2,0,0,0,0,0|1,0,1]=4 69 B7R0.3 COC(=O)CCCN M32376 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.3 COC(=O)\C=C\CBr M41176 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.3 COC=CC(=O)OC M39186 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.3 CO\C=C\C(=O)OC M41228 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.7 CC#CC(=O)OCC E36835 [2,0,0,0,0,0|0,0,2]=4 74 B7R0.7 CCNC(=O)NCC D40424 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.7 CCOC(=O)CCBr E39188 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.7 CCOC(=O)CCI E41273 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.7 CCOC(=O)CCO E36682 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.7 CCOC(=O)CNC S69399 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.7 CCOC(=O)CNN E67459 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.7 CCOC(=O)CSC E40386 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.7 CCOC(=O)OCCl C38646 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.7 CCOC(=O)[CH-]C=O E29890 [2,0,0,0,0,0|1,0,1]=4 83 B7R0.7 CCOC(=O)\C=C\I E41181 [2,0,0,0,0,0|1,0,0]=3 84 B7R0.4 CCCOCC(=O)O P40387 [2,0,0,0,0,0|1,0,1]=4 85 B7R0.4 CCC\C=C\C(=O)O H41460 [2,0,0,0,0,0|0,0,0]=2 86 B7R0.4 CCOC=CC(=O)O E41226 [2,0,0,0,0,0|1,0,0]=3 87 B7R0.4 COC\C=C\C(=O)O M63576 [2,0,0,0,0,0|1,0,0]=3 88 B9R0.34 CCOC(=O)CC(=O)CC E43812 [1,1,0,0,0,0|0,0,1]=3 89 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [1,1,0,0,0,0|1,0,1]=4 90 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [1,1,0,0,0,0|1,0,1]=4 91 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [1,1,0,0,0,0|2,0,0]=4 93 B9R0.35 CCCC(=O)C(=O)OCC E43810 [1,1,0,0,0,0|0,0,0]=2 94 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [1,1,0,0,0,0|0,0,1]=3 95 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [1,1,0,0,0,0|0,0,1]=3 96 B9R0.35 CCOC(=N)C(=O)OCC E32050 [1,1,0,0,0,0|1,0,0]=3 97 B9R0.48 C=C(C)CCC(=O)OCC E69099 [1,1,0,0,0,0|0,0,2]=4 98 B9R0.48 CCOC(=O)CCC(C)=O E36601 [1,1,0,0,0,0|0,0,2]=4 99 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [1,1,0,0,0,0|1,0,0]=3 101 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [1,1,0,0,0,0|1,0,0]=3 102 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [1,1,0,0,0,0|1,0,1]=4 103 B11R0.4 CCOC(=O)CCCCCCBr E50560 [0,2,0,0,0,0|0,0,2]=4 104 B11R0.4 CCOC(=O)CCCCCCN E52216 [0,2,0,0,0,0|0,0,2]=4 105 B11R0.5 C#CCCC(=O)CC(=O)OCC E6254 [0,2,0,0,0,0|0,0,2]=4 106 B11R0.62 CCOC(=O)C#CC(=O)OCC D69328 [0,2,0,0,0,0|1,0,1]=4 107 B11R0.62 CCOC(=O)CSC(=S)OCC E43822 [0,2,0,0,0,0|1,0,1]=4 108 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O E47064 [0,2,0,0,0,0|1,0,1]=4 109 B11R0.177 CCOC(=O)C(=O)C(=O)OCC D43741 [0,2,0,0,0,0|1,0,0]=3 110 B11R0.177 CCOC(=O)C(=O)C(=O)OCC D69011 [0,2,0,0,0,0|1,0,0]=3 111 B11R0.177 CCOC(=O)C(Br)C(=O)OCC B64497 [0,2,0,0,0,0|1,0,1]=4 112 B11R0.177 CCOC(=O)C(F)C(=O)OCC D3242 [0,2,0,0,0,0|1,0,1]=4 113 B11R0.177 CCOC(=O)C(N)C(=O)OCC D69272 [0,2,0,0,0,0|1,0,1]=4 114 B11R0.43 CCOC(=O)C(=O)CC(=O)CC E47029 [0,2,0,0,0,0|0,0,2]=4 115 B11R0.191 CCCC[C@H](CC)C(=O)OCC E53338 [0,2,0,0,0,0|0,0,2]=4 116 B11R0.191 CCOC=C(C#N)C(=O)OCC E38427 [0,2,0,0,0,0|1,0,0]=3 117 B11R0.191 CCO\C=C(/C#N)C(=O)OCC E46936 [0,2,0,0,0,0|1,0,0]=3 118 B11R0.247 CCCCC(F)(F)C(=O)OCC E47090 [0,2,0,0,0,0|0,0,2]=4 119 B11R0.140 CCCCOC(=O)OCCCC D50584 [0,2,0,0,0,0|1,0,1]=4 120 B9R1.33 NCCN1CCOC1=O A61391 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.50 O=C1CCCCCCC1 C67881 [1,0,0,1,0,0|1,0,1]=4 122 B9R1.50 O=C1CCCCCCN1 A69570 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.73 CCOC(=N)C1CCC1 E64744 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.73 CCOC(=O)C1CNC1 E0677 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.75 CCOC(=O)CC1CC1 E29877 [1,0,0,1,0,0|0,0,1]=3 126 B9R1.1 CCC1CCC(=O)CC1 E39441 [1,0,0,1,0,0|0,0,2]=4 127 B9R1.11 COC(=O)C1=CCCC1 M43720 [1,0,0,1,0,0|0,0,0]=2 128 B9R1.11 COC(=O)C1CCCC1 M43805 [1,0,0,1,0,0|0,0,2]=4 129 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.79 COC(=O)C=C1COC1 M5786 [1,0,0,1,0,0|1,0,0]=3 131 B11R1.16 CCOC(=O)C1CCNCC1 E29669 [0,1,0,1,0,0|0,0,2]=4 132 B11R1.16 CCOC(=O)C1CCNCC1 P28285 [0,1,0,1,0,0|0,0,2]=4 133 B11R1.16 CCOC(=O)C1CCOCC1 E47102 [0,1,0,1,0,0|0,0,2]=4 134 B11R1.16 CCOC(=O)C1OCCCO1 D10084 [0,1,0,1,0,0|1,0,1]=4 135 B11R1.16 CCOC(=O)C1SCCCS1 D10076 [0,1,0,1,0,0|1,0,1]=4 136 B11R1.16 CCOC(=O)N1CCCCC1 E47120 [0,1,0,1,0,0|0,0,2]=4 137 B11R1.16 CCOC(=O)N1CCNCC1 E39297 [0,1,0,1,0,0|1,0,1]=4 138 B11R1.16 CCOC(=O)[C@@H]1CCC=CO1 E25573 [0,1,0,1,0,0|0,0,2]=4 139 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E47117 [0,1,0,1,0,0|0,0,2]=4 140 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49565 [0,1,0,1,0,0|0,0,2]=4 141 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49567 [0,1,0,1,0,0|0,0,2]=4 142 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 E63418 [0,1,0,1,0,0|0,0,2]=4 143 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 D21711 [0,1,0,1,0,0|0,0,2]=4 144 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E1816 [0,1,0,1,0,0|0,0,2]=4 145 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E22645 [0,1,0,1,0,0|0,0,2]=4 146 B11R1.16 CCOC(=O)[C@@H]1CNCCN1 E46602 [0,1,0,1,0,0|1,0,1]=4 147 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 E43856 [0,1,0,1,0,0|1,0,1]=4 148 B11R1.16 CCOC(=O)[C@@H]1COCCN1 E46494 [0,1,0,1,0,0|1,0,1]=4 149 B11R1.16 CCOC(=O)[C@H]1CCCNC1 D25574 [0,1,0,1,0,0|0,0,2]=4 150 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E1843 [0,1,0,1,0,0|0,0,2]=4 151 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E23938 [0,1,0,1,0,0|0,0,2]=4 152 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E39525 [0,1,0,1,0,0|0,0,2]=4 153 B11R1.30 CCOC(=O)C[C@H]1CCCO1 E47100 [0,1,0,1,0,0|0,0,2]=4 154 B11R1.30 CCOC(=O)C[C@H]1CCNC1 E15030 [0,1,0,1,0,0|0,0,2]=4 155 B11R1.199 CCOC(=O)C1=C(C)C=CN1 E7945 [0,1,0,1,0,0|0,0,2]=4 156 B11R1.199 CCOC(=O)C1=C(C)N=CO1 E46426 [0,1,0,1,0,0|1,0,1]=4 157 B11R1.199 CCOC(=O)C1=C(C)NC=C1 E46928 [0,1,0,1,0,0|0,0,2]=4 158 B11R1.199 CCOC(=O)C1=C(C)NC=N1 E38567 [0,1,0,1,0,0|1,0,1]=4 159 B11R1.199 CCOC(=O)C1=C(C)OC=N1 E46427 [0,1,0,1,0,0|1,0,1]=4 160 B11R1.199 CCOC(=O)C1=C(C)ON=C1 E46429 [0,1,0,1,0,0|1,0,1]=4 161 B11R1.199 CCOC(=O)C1=C(C)SC=N1 M4176 [0,1,0,1,0,0|1,0,1]=4 162 B11R1.199 CCOC(=O)C1=CC=NN1C E43657 [0,1,0,1,0,0|1,0,1]=4 163 B11R1.199 CCOC(=O)C1=CNC=C1C E46929 [0,1,0,1,0,0|0,0,2]=4 164 B11R1.199 CCOC(=O)C1=CNN=C1C E9772 [0,1,0,1,0,0|1,0,1]=4 165 B11R1.199 CCOC(=O)C1=NC=CN1C E43661 [0,1,0,1,0,0|1,0,1]=4 166 B11R1.199 CCOC(=O)C1CCCC1N E49570 [0,1,0,1,0,0|0,0,2]=4 167 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N E63697 [0,1,0,1,0,0|0,0,2]=4 168 B11R1.199 CCOC(=O)[C@@H]1CCNC1=O X13453 [0,1,0,1,0,0|1,0,1]=4 169 B11R1.199 CCOC(=O)[C@@H]1CCOC1=O E43734 [0,1,0,1,0,0|1,0,1]=4 170 B11R1.199 CCOC(=O)[C@@H]1CNCC1=O E38847 [0,1,0,1,0,0|1,0,1]=4 171 B11R1.199 CCOC(=O)[C@@H]1COCC1=O E43735 [0,1,0,1,0,0|1,0,1]=4 172 B11R1.199 CCOC(=O)[C@@H]1CSCC1=O E13246 [0,1,0,1,0,0|1,0,1]=4 173 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N E69723 [0,1,0,1,0,0|0,0,2]=4 174 B11R1.289 CCOC(=O)C#CC1COC1 E59722 [0,1,0,1,0,0|0,0,2]=4 175 B11R1.201 CCOC(=O)CC1CC(O)C1 E11673 [0,1,0,1,0,0|0,0,2]=4 176 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](O)C1 E14840 [0,1,0,1,0,0|0,0,2]=4 177 B11R1.201 CCOC(=O)C[C@H]1C[C@H](O)C1 E14839 [0,1,0,1,0,0|0,0,2]=4 178 B11R1.334 CCOC(=O)CC(=O)C1CC1 E37822 [0,1,0,1,0,0|0,0,1]=3 179 B11R1.15 CCOC(=O)C1=CC=C(C)N1 E13124 [0,1,0,1,0,0|0,0,2]=4 180 B11R1.15 CCOC(=O)C1=CC=C(C)S1 E46839 [0,1,0,1,0,0|0,0,2]=4 181 B11R1.15 CCOC(=O)C1=CN(C)N=C1 E8101 [0,1,0,1,0,0|2,0,0]=4 182 B11R1.15 CCOC(=O)C1=CN=C(C)S1 E2885 [0,1,0,1,0,0|1,0,1]=4 183 B11R1.15 CCOC(=O)C1=CNC(C)=C1 E64019 [0,1,0,1,0,0|1,0,1]=4 184 B11R1.15 CCOC(=O)C1=COC(C)=N1 E9858 [0,1,0,1,0,0|1,0,1]=4 185 B11R1.15 CCOC(=O)C1=CSC(C)=N1 E2046 [0,1,0,1,0,0|1,0,1]=4 186 B11R1.15 CCOC(=O)C1=NN(C)C=C1 E43656 [0,1,0,1,0,0|1,0,1]=4 187 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 E62122 [0,1,0,1,0,0|1,0,1]=4 188 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 E10905 [0,1,0,1,0,0|1,0,1]=4 189 B11R1.351 CCOC(=O)C(=O)CC1CC1 C2015 [0,1,0,1,0,0|0,0,1]=3 190 B11R2.10 O=C1C=C2CNCC[C@@H]2S1 H15621 [0,0,0,2,0,0|1,1,0]=4 191 B11R2.10 O=C1C=C2CNCC[C@@H]2S1 T46580 [0,0,0,2,0,0|1,1,0]=4