0 B7R1.1 BrCC1CCCC1 MC20145 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.1 BrCC1CCCN1 MC114648 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.1 BrCC1CCCO1 MC106365 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.1 BrCC1OCCO1 CS21401 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 C#CC1CCOC1 MC103679 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 CCC1CCCN1 MC110951 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.1 CNC1CCOC1 MC104966 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.1 CNC1CCOC1 MC105597 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 COC1=NCCC1 CS10423 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 COC1CCCN1 MC41692 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 COC1CCNC1 CS12136 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 COC1CCNC1 CS12137 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 COC1CCNC1 CS22350 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 ClCC1=NCCN1 CS13610 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.1 ClCC1OCCO1 MC428002 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.1 FCC1CCCN1 MC100102 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.1 FCC1CCNC1 MC103199 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 N#CC1CCCC1 MC433761 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.1 N#CC1CCCN1 MC104069 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.1 N#CC1CCOC1 MC103877 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 N#CC1CCOC1 MC103878 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.1 NCC1CCCC1 CS14873 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.1 NCC1CCCN1 CS15469 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.1 NCC1CCCN1 CS15745 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.1 NCC1CCNC1 MC431426 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 NCC1CCOC1 MC102307 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.1 NCC1CCOC1 MC103862 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 NCC1CCOC1 MC115675 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.1 NCC1CCOC1 MC121256 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 O=CC1=CCCC1 CS12865 [0,0,0,0,0,0|1,0,3]=4 31 B7R1.1 O=CC1CCCC1 MC21048 [0,0,0,0,0,0|1,0,2]=3 32 B7R1.1 OCC1=CC=CO1 MC41687 [0,0,0,0,0,0|0,0,4]=4 33 B7R1.1 OCC1=CC=NO1 CS15343 [0,0,0,0,0,0|1,0,3]=4 34 B7R1.1 OCC1CC=CC1 CS20734 [0,0,0,0,0,0|1,0,2]=3 35 B7R1.1 OCC1CCCC1 CS11185 [0,0,0,0,0,0|1,0,0]=1 36 B7R1.1 OCC1CCCN1 CS17003 [0,0,0,0,0,0|1,0,0]=1 37 B7R1.1 OCC1CCCN1 CS22640 [0,0,0,0,0,0|1,0,0]=1 38 B7R1.1 OCC1CCCO1 MC20392 [0,0,0,0,0,0|0,0,0]=0 39 B7R1.1 OCC1CCNC1 CS11284 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.1 OCC1CCNC1 CS16764 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.1 OCC1CCNC1 CS18341 [0,0,0,0,0,0|2,0,0]=2 42 B7R1.1 OCC1CCNC1 MC102405 [0,0,0,0,0,0|2,0,0]=2 43 B7R1.1 OCC1CCNC1 MC115660 [0,0,0,0,0,0|2,0,0]=2 44 B7R1.1 OCC1CCOC1 MC113000 [0,0,0,0,0,0|2,0,0]=2 45 B7R1.1 OCC1CCOC1 MC113001 [0,0,0,0,0,0|2,0,0]=2 46 B7R1.1 OCC1CCOC1 MC427704 [0,0,0,0,0,0|2,0,0]=2 47 B6R1.2 BrC1CCNC1 CS15742 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,0,0,0|1,0,1]=3 50 B6R1.2 CC1CCCN1 CS18299 [1,0,0,0,0,0|1,0,0]=2 51 B6R1.2 CC1CCCN1 CS18800 [1,0,0,0,0,0|1,0,0]=2 52 B6R1.2 CC1CCCN1 CS19735 [1,0,0,0,0,0|1,0,0]=2 53 B6R1.2 CC1CCCN1 CS21699 [1,0,0,0,0,0|1,0,0]=2 54 B6R1.2 CC1CCCN1 CS21700 [1,0,0,0,0,0|1,0,0]=2 55 B6R1.2 CC1CCCN1 MC428345 [1,0,0,0,0,0|1,0,0]=2 56 B6R1.2 CC1CCCO1 MC20580 [1,0,0,0,0,0|0,0,0]=1 57 B6R1.2 FC1CCNC1 CS12894 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 FC1CCNC1 CS14870 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 FC1CCNC1 MC31003 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 IC1CCOC1 MC101926 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,0,0,0|2,0,1]=4 62 B6R1.2 NC1CCOC1 CS12010 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 NC1CCOC1 CS13003 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 NC1CCOC1 CS20366 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 NC1CCOC1 MC443324 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 NC1CCOC1 MC444237 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,0,0,0|1,0,2]=4 68 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,0,0,0|1,0,2]=4 69 B6R1.2 OC1CC=CC1 MC10342 [1,0,0,0,0,0|1,0,2]=4 70 B6R1.2 OC1CCNC1 CS16166 [1,0,0,0,0,0|2,0,0]=3 71 B6R1.2 OC1CCNC1 CS16635 [1,0,0,0,0,0|2,0,0]=3 72 B6R1.2 OC1CCNC1 CS16650 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 OC1CCNC1 CS17407 [1,0,0,0,0,0|2,0,0]=3 74 B6R1.2 OC1CCNC1 CS21757 [1,0,0,0,0,0|2,0,0]=3 75 B6R1.2 OC1CCOC1 CS20284 [1,0,0,0,0,0|2,0,0]=3 76 B6R1.2 OC1CCOC1 MC42235 [1,0,0,0,0,0|2,0,0]=3 77 B6R1.2 OC1CCOC1 MC444279 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.1 CN1CCC(CN)C1 MC104144 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.1 CN1CCC(CN)C1 MC105308 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.1 CN1CCC(CO)C1 MC102370 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.1 CN1CCC(CO)C1 MC102371 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,1,0,0,0,0|0,0,3]=4 84 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,0,0,0|1,0,1]=3 85 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,0,0,0|1,0,1]=3 86 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,0,0,0|2,0,1]=4 87 B8R1.1 OCC1CC(O)CN1 CS20184 [0,1,0,0,0,0|1,0,0]=2 88 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,1,0,0,0,0|1,0,2]=4 89 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,1,0,0,0,0|1,0,2]=4 90 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,1,0,0,0,0|1,0,2]=4 91 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,1,0,0,0,0|1,0,2]=4 92 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,1,0,0,0,0|1,0,2]=4 93 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,1,0,0,0,0|1,0,2]=4 94 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,1,0,0,0,0|1,0,2]=4 95 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,0,0,0|1,0,1]=3 96 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,0,0,0|1,0,1]=3 97 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,0,0,0|1,0,1]=3 98 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,0,0,0|0,0,1]=2 99 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,0,0,0|0,0,1]=2 100 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,0,0,0|0,0,1]=2 101 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,1,0,0,0,0|1,1,1]=4 108 B8R1.7 OB(O)C1=CCCC1 CS11186 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.7 OB(O)C1CCOC1 MC114068 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.8 BrCCC1OCCO1 CS18251 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.8 Br[Zn]CC1OCCO1 MC121331 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.8 C#CCN1CCCC1 MC443168 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.8 C#CCN1CCCC1 MC443717 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.8 COCC1CCCN1 CS20310 [0,1,0,0,0,0|1,0,0]=2 115 B8R1.8 COCC1CCNC1 MC104848 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.8 COCC1CCNC1 MC105535 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.8 ClCCN1CCCC1 CS15769 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.8 ICCC1CCCC1 MC106254 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.8 NCCC1CCCC1 CS15909 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.8 OCCC1CCCN1 MC103847 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.8 OCCC1CCCN1 MC106622 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.11 CN1CCCC1CN MC444032 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.11 CN1CCCC1CN MC444049 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.11 CN1CCCC1CO CS14186 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.11 CN1CCCC1CO CS22816 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.11 N#CC1CCCC1=O CS20047 [0,1,0,0,0,0|2,0,1]=4 127 B8R1.11 N#CC1CCCC1N MC104396 [0,1,0,0,0,0|2,0,1]=4 128 B8R1.11 O=C1NCCC1CO MC104392 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.52 CC1(CBr)CCOC1 MC104228 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.52 CC1(CN)CCNC1 MC100100 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.52 CC1(CN)CCOC1 MC103499 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.52 CC1(CO)CCOC1 MC104227 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.52 NC1(CO)CCOC1 MC103469 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.52 NCC1(O)CCCC1 CS15390 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.52 NCC1(O)CCCC1 MC31148 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.52 OC1(CF)CCNC1 MC101973 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.52 OCC1(F)CCCC1 MC443810 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.52 OCC1(O)CCNC1 MC104779 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.1 CCC(C)CCBr MC112369 [0,0,1,0,0,0|3,0,0]=4 140 B6R0.1 CCCC(C)CBr MC112368 [0,0,1,0,0,0|2,0,0]=3 141 B6R0.1 CCCC(O)CO CS20495 [0,0,1,0,0,0|0,0,0]=1 142 B6R0.1 CCOC(=O)CBr MC41907 [0,0,1,0,0,0|2,0,1]=4 143 B6R0.1 CCOC(=O)CCl MC41910 [0,0,1,0,0,0|2,0,1]=4 144 B6R0.1 CCOC(=O)CN CS15347 [0,0,1,0,0,0|2,0,1]=4 145 B6R0.1 CCOC(=O)CO CS11386 [0,0,1,0,0,0|1,0,1]=3 146 B6R0.1 N#CCC(O)CCl CS22599 [0,0,1,0,0,0|2,0,1]=4 147 B6R0.1 OC(CBr)CCBr MC107100 [0,0,1,0,0,0|2,0,0]=3 148 B6R0.1 OC(CBr)CCBr MC107101 [0,0,1,0,0,0|2,0,0]=3 149 B6R0.1 OCCC(O)CO MC42234 [0,0,1,0,0,0|1,0,0]=2 150 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [0,0,1,0,0,0|3,0,0]=4 151 B6R0.6 BrCCCCCBr MC41886 [0,0,1,0,0,0|2,0,0]=3 152 B6R0.6 BrCCNCCBr CS11032 [0,0,1,0,0,0|3,0,0]=4 153 B6R0.6 C#CCCCCO MC424004 [0,0,1,0,0,0|1,0,1]=3 154 B6R0.6 C=CCCCCCl MC427568 [0,0,1,0,0,0|2,0,1]=4 155 B6R0.6 C=CCCCCN MC111853 [0,0,1,0,0,0|2,0,1]=4 156 B6R0.6 C=CCCCCO CS10397 [0,0,1,0,0,0|1,0,1]=3 157 B6R0.6 CCCOCCCl MC428009 [0,0,1,0,0,0|1,0,0]=2 158 B6R0.6 COCCCCBr CS22933 [0,0,1,0,0,0|3,0,0]=4 159 B6R0.6 COCCCCCl MC428014 [0,0,1,0,0,0|3,0,0]=4 160 B6R0.6 ClCCNCCCl CS16038 [0,0,1,0,0,0|3,0,0]=4 161 B6R0.6 ClCCOCCCl MC41873 [0,0,1,0,0,0|2,0,0]=3 162 B6R0.6 FCCCCCBr CS14708 [0,0,1,0,0,0|2,0,0]=3 163 B6R0.6 FCCCC[Mg]Br MC116032 [0,0,1,0,0,0|3,0,0]=4 164 B6R0.6 N#CCCCCCl CS10359 [0,0,1,0,0,0|2,0,1]=4 165 B6R0.6 NCCCCCN CS19074 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.6 OCCCCCCl CS14778 [0,0,1,0,0,0|1,0,0]=2 167 B6R0.6 OCCCCCO CS20549 [0,0,1,0,0,0|0,0,0]=1 168 B6R0.6 OCCOCCO MC41893 [0,0,1,0,0,0|1,0,0]=2 169 B6R0.6 SCCOCCS MC112783 [0,0,1,0,0,0|1,1,0]=3 170 B6R0.9 CCN(CC)CC MC426119 [0,0,1,0,0,0|3,0,0]=4 171 B6R0.9 CCP(CC)CC MC444861 [0,0,1,0,0,0|3,0,0]=4 172 B6R0.9 CCP(CC)CC MC444910 [0,0,1,0,0,0|3,0,0]=4 173 B6R0.9 CC[SiH](CC)CC MC41948 [0,0,1,0,0,0|2,1,0]=4 174 B6R0.9 COC(CBr)OC MC428001 [0,0,1,0,0,0|2,0,0]=3 175 B6R0.9 COC(CCl)OC MC428004 [0,0,1,0,0,0|2,0,0]=3 176 B6R0.9 COC(CN)OC MC428005 [0,0,1,0,0,0|2,0,0]=3 177 B6R0.9 COC(OC)OC MC41951 [0,0,1,0,0,0|3,0,0]=4 178 B8R2.11 C12CNCC1C2O MC102023 [0,0,0,1,0,0|2,0,0]=3 179 B8R2.22 C1CC2CNCC12 MC103502 [0,0,0,1,0,0|3,0,0]=4 180 B8R2.22 C1CC2CNCC12 MC105043 [0,0,0,1,0,0|3,0,0]=4 181 B8R2.34 C1=CC2CCC1C2 CS11805 [0,0,0,1,0,0|2,0,1]=4 182 B8R2.34 C1CC2CCC1N2 CS10780 [0,0,0,1,0,0|2,0,0]=3 183 B8R2.34 C1CC2CCC1N2 MC113036 [0,0,0,1,0,0|2,0,0]=3 184 B8R2.34 C1OC2CNC1C2 CS12565 [0,0,0,1,0,0|1,0,0]=2 185 B8R2.34 C1OC2CNC1C2 MC102221 [0,0,0,1,0,0|1,0,0]=2 186 B8R2.34 C1OC2CNC1C2 MC103903 [0,0,0,1,0,0|1,0,0]=2 187 B8R2.34 C1OC2CNC1C2 MC105588 [0,0,0,1,0,0|1,0,0]=2 188 B8R2.34 C1OC2CNC1C2 MC31167 [0,0,0,1,0,0|1,0,0]=2 189 B8R2.34 C1OC2CNC1C2 MC444007 [0,0,0,1,0,0|1,0,0]=2 190 B8R2.55 C1CC2(CC2)CN1 MC103447 [0,0,0,1,0,0|3,0,0]=4 191 B8R2.55 C1CNC2(C1)CC2 MC103449 [0,0,0,1,0,0|2,0,0]=3 192 B6R1.6 BrCC1CCC1 MC10470 [0,0,0,0,1,0|1,0,0]=2 193 B6R1.6 BrCC1CCO1 MC444177 [0,0,0,0,1,0|1,0,0]=2 194 B6R1.6 CNC1CNC1 MC444567 [0,0,0,0,1,0|3,0,0]=4 195 B6R1.6 CNC1COC1 MC425340 [0,0,0,0,1,0|3,0,0]=4 196 B6R1.6 CNC1COC1 MC444120 [0,0,0,0,1,0|3,0,0]=4 197 B6R1.6 COC1CNC1 CS17370 [0,0,0,0,1,0|3,0,0]=4 198 B6R1.6 Cl[Zn]C1CCC1 MC121327 [0,0,0,0,1,0|2,0,0]=3 199 B6R1.6 ICC1COC1 MC101907 [0,0,0,0,1,0|2,0,0]=3 200 B6R1.6 N#CC1CNC1 CS10942 [0,0,0,0,1,0|2,0,1]=4 201 B6R1.6 NCC1CCC1 CS11178 [0,0,0,0,1,0|1,0,0]=2 202 B6R1.6 NCC1CCN1 MC121273 [0,0,0,0,1,0|2,0,0]=3 203 B6R1.6 NCC1CCO1 MC121118 [0,0,0,0,1,0|1,0,0]=2 204 B6R1.6 NCC1CNC1 MC105370 [0,0,0,0,1,0|2,0,0]=3 205 B6R1.6 NCC1COC1 MC10517 [0,0,0,0,1,0|2,0,0]=3 206 B6R1.6 NCC1CSC1 MC121257 [0,0,0,0,1,0|2,0,0]=3 207 B6R1.6 NNC1CCC1 MC111229 [0,0,0,0,1,0|2,0,0]=3 208 B6R1.6 NNC1COC1 MC111202 [0,0,0,0,1,0|3,0,0]=4 209 B6R1.6 OCC1CCN1 CS15230 [0,0,0,0,1,0|1,0,0]=2 210 B6R1.6 OCC1CCN1 MC102029 [0,0,0,0,1,0|1,0,0]=2 211 B6R1.6 OCC1CCN1 MC102030 [0,0,0,0,1,0|1,0,0]=2 212 B6R1.6 OCC1CCO1 CS15009 [0,0,0,0,1,0|0,0,0]=1 213 B6R1.6 OCC1CNC1 CS12891 [0,0,0,0,1,0|1,0,0]=2 214 B6R1.6 OCC1CNC1 MC444028 [0,0,0,0,1,0|1,0,0]=2 215 B6R1.6 OCC1COC1 CS14670 [0,0,0,0,1,0|1,0,0]=2 216 B8R1.2 BrCC1=CCCCC1 MC103521 [0,0,0,0,0,1|2,0,1]=4 217 B8R1.2 BrCC1CCCCC1 CS19887 [0,0,0,0,0,1|2,0,0]=3 218 B8R1.2 BrCC1CCCOC1 MC102393 [0,0,0,0,0,1|1,0,0]=2 219 B8R1.2 Br[Zn]C1C=CCCC1 MC116069 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.2 C#CC1CCCOC1 MC104582 [0,0,0,0,0,1|1,0,1]=3 223 B8R1.2 C#CC1CCSCC1 MC104148 [0,0,0,0,0,1|2,0,1]=4 224 B8R1.2 CCC1CNCCN1 MC31046 [0,0,0,0,0,1|2,0,0]=3 225 B8R1.2 CCC1CNCCN1 MC31080 [0,0,0,0,0,1|2,0,0]=3 226 B8R1.2 CCC1CNCCO1 MC444035 [0,0,0,0,0,1|1,0,0]=2 227 B8R1.2 CCC1CNCCO1 MC444058 [0,0,0,0,0,1|1,0,0]=2 228 B8R1.2 CCC1CNCCO1 MC444187 [0,0,0,0,0,1|1,0,0]=2 229 B8R1.2 CCC1COCCN1 MC20812 [0,0,0,0,0,1|2,0,0]=3 230 B8R1.2 CCC1COCCN1 MC444040 [0,0,0,0,0,1|2,0,0]=3 231 B8R1.2 CCC1COCCN1 MC444061 [0,0,0,0,0,1|2,0,0]=3 232 B8R1.2 CCC1COCCN1 MC444269 [0,0,0,0,0,1|2,0,0]=3 233 B8R1.2 CCN1CCNCC1 CS20680 [0,0,0,0,0,1|3,0,0]=4 234 B8R1.2 CNC1CCCNC1 CS22823 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.2 CNC1CCOCC1 CS15192 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.2 COC1CCCNC1 MC31194 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.2 COC1CCCNC1 MC444290 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.2 COC1CCNCC1 MC444354 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.2 CSC1CCNCC1 MC444359 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.2 ClCC1CNCCO1 MC106711 [0,0,0,0,0,1|1,0,0]=2 241 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.2 ICC1CCOCC1 MC31010 [0,0,0,0,0,1|2,0,0]=3 243 B8R1.2 N#CC1CCCCN1 MC105353 [0,0,0,0,0,1|2,0,1]=4 244 B8R1.2 N#CC1CCCCN1 MC444185 [0,0,0,0,0,1|2,0,1]=4 245 B8R1.2 N#CC1CCCNC1 MC105598 [0,0,0,0,0,1|2,0,1]=4 246 B8R1.2 N#CC1CCCNC1 MC444266 [0,0,0,0,0,1|2,0,1]=4 247 B8R1.2 N#CC1CCOCC1 CS12562 [0,0,0,0,0,1|2,0,1]=4 248 B8R1.2 N#CC1CNCCN1 CS12950 [0,0,0,0,0,1|2,0,1]=4 249 B8R1.2 N#CC1CNCCO1 MC442480 [0,0,0,0,0,1|1,0,1]=3 250 B8R1.2 NCC1CCCCC1 MC20908 [0,0,0,0,0,1|2,0,0]=3 251 B8R1.2 NCC1CCCCN1 CS22822 [0,0,0,0,0,1|2,0,0]=3 252 B8R1.2 NCC1CCCOC1 CS18439 [0,0,0,0,0,1|1,0,0]=2 253 B8R1.2 NCC1CCCOC1 MC105501 [0,0,0,0,0,1|1,0,0]=2 254 B8R1.2 NCC1CCCOC1 MC105502 [0,0,0,0,0,1|1,0,0]=2 255 B8R1.2 NCC1CCOCC1 CS18584 [0,0,0,0,0,1|2,0,0]=3 256 B8R1.2 NCC1CCSCC1 MC102976 [0,0,0,0,0,1|2,0,0]=3 257 B8R1.2 NCC1CCSCC1 MC111187 [0,0,0,0,0,1|2,0,0]=3 258 B8R1.2 NCC1COCCO1 MC444012 [0,0,0,0,0,1|1,0,0]=2 259 B8R1.2 NCC1COCCO1 MC444016 [0,0,0,0,0,1|1,0,0]=2 260 B8R1.2 NNC1CCCCC1 MC442574 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.2 NNC1CCCCC1 MC442575 [0,0,0,0,0,1|3,0,0]=4 262 B8R1.2 NNC1CCOCC1 CS13041 [0,0,0,0,0,1|3,0,0]=4 263 B8R1.2 NNC1CCOCC1 CS20368 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.2 NOC1CCCCO1 CS17026 [0,0,0,0,0,1|2,0,0]=3 265 B8R1.2 O=CC1CCCCC1 MC20143 [0,0,0,0,0,1|1,0,2]=4 266 B8R1.2 O=CC1CCCOC1 MC442323 [0,0,0,0,0,1|0,0,2]=3 267 B8R1.2 O=CC1CCOCC1 MC445812 [0,0,0,0,0,1|1,0,2]=4 268 B8R1.2 OCC1CCC=CO1 MC20505 [0,0,0,0,0,1|0,0,1]=2 269 B8R1.2 OCC1CCCCC1 MC20144 [0,0,0,0,0,1|1,0,0]=2 270 B8R1.2 OCC1CCCCN1 CS21780 [0,0,0,0,0,1|1,0,0]=2 271 B8R1.2 OCC1CCCNC1 CS15958 [0,0,0,0,0,1|1,0,0]=2 272 B8R1.2 OCC1CCCNC1 CS22817 [0,0,0,0,0,1|1,0,0]=2 273 B8R1.2 OCC1CCCOC1 MC31058 [0,0,0,0,0,1|0,0,0]=1 274 B8R1.2 OCC1CCNCC1 CS22819 [0,0,0,0,0,1|1,0,0]=2 275 B8R1.2 OCC1CCOCC1 CS18741 [0,0,0,0,0,1|1,0,0]=2 276 B8R1.2 OCC1CNCCO1 CS14518 [0,0,0,0,0,1|0,0,0]=1 277 B8R1.2 OCC1CNCCO1 CS15145 [0,0,0,0,0,1|0,0,0]=1 278 B8R1.2 OCC1CNCCO1 CS15312 [0,0,0,0,0,1|0,0,0]=1 279 B8R1.2 OCC1COCCN1 CS15269 [0,0,0,0,0,1|1,0,0]=2 280 B8R1.2 OCC1COCCN1 CS15280 [0,0,0,0,0,1|1,0,0]=2 281 B8R1.2 OCC1COCCN1 MC106628 [0,0,0,0,0,1|1,0,0]=2 282 B8R1.2 OCC1COCCN1 MC115923 [0,0,0,0,0,1|1,0,0]=2 283 B8R1.2 OCC1COCCN1 MC444278 [0,0,0,0,0,1|1,0,0]=2 284 B8R1.2 OCC1COCCO1 MC107175 [0,0,0,0,0,1|0,0,0]=1 285 B8R1.2 OCC1COCCO1 MC107176 [0,0,0,0,0,1|0,0,0]=1 286 B5R0.1 CC(N)CCO CS14355 [1,0,1,0,0,0|2,0,0]=4 287 B5R0.1 CC(N)CCO CS14356 [1,0,1,0,0,0|2,0,0]=4 288 B5R0.1 CC(N)CCO CS22096 [1,0,1,0,0,0|2,0,0]=4 289 B5R0.1 CC(O)CON CS17735 [1,0,1,0,0,0|2,0,0]=4 290 B5R0.1 CCCB(O)O CS14802 [1,0,1,0,0,0|1,0,0]=3 291 B5R0.1 CCCC(C)=O CS21731 [1,0,1,0,0,0|0,0,2]=4 292 B5R0.1 COCC(C)N CS15401 [1,0,1,0,0,0|2,0,0]=4 293 B5R0.1 COCC(C)O CS20249 [1,0,1,0,0,0|1,0,0]=3 294 B5R0.1 COCC(C)O CS20309 [1,0,1,0,0,0|1,0,0]=3 295 B5R0.1 COCC(C)O CS20741 [1,0,1,0,0,0|1,0,0]=3 296 B5R0.2 BrCCCCBr MC41885 [1,0,1,0,0,0|2,0,0]=4 297 B5R0.2 CCCCCBr CS20657 [1,0,1,0,0,0|1,0,0]=3 298 B5R0.2 CCCC[Zn]Br MC121334 [1,0,1,0,0,0|2,0,0]=4 299 B5R0.2 CCOCCBr CS21396 [1,0,1,0,0,0|1,0,0]=3 300 B5R0.2 CCOCCCl MC428008 [1,0,1,0,0,0|1,0,0]=3 301 B5R0.2 CNCCCO CS14200 [1,0,1,0,0,0|1,0,0]=3 302 B5R0.2 COCCCBr CS20649 [1,0,1,0,0,0|2,0,0]=4 303 B5R0.2 COCCCO CS20039 [1,0,1,0,0,0|1,0,0]=3 304 B5R0.2 NCCCCBr CS14979 [1,0,1,0,0,0|2,0,0]=4 305 B5R0.2 NCCCCN CS19906 [1,0,1,0,0,0|2,0,0]=4 306 B5R0.2 OC\C=C\CO MC41968 [1,0,1,0,0,0|0,0,2]=4 307 B5R0.2 OC\C=C\CO MC424009 [1,0,1,0,0,0|0,0,2]=4 308 B5R0.3 CCC(C)[Zn]Br MC121335 [1,0,1,0,0,0|2,0,0]=4 309 B5R0.3 CCC(N)CO CS15119 [1,0,1,0,0,0|1,0,0]=3 310 B5R0.3 CCC(N)CO MC10528 [1,0,1,0,0,0|1,0,0]=3 311 B5R0.3 CCC(N)CO MC20718 [1,0,1,0,0,0|1,0,0]=3 312 B5R0.3 CCC(N)CO MC436159 [1,0,1,0,0,0|1,0,0]=3 313 B5R0.3 CCC(O)CO CS15622 [1,0,1,0,0,0|0,0,0]=2 314 B5R0.3 COC(=O)CO CS19433 [1,0,1,0,0,0|1,0,1]=4 315 B5R0.3 COC(C)CN CS17733 [1,0,1,0,0,0|1,0,0]=3 316 B5R0.3 COC(C)CO CS12306 [1,0,1,0,0,0|0,0,0]=2 317 B5R0.3 NC(CO)CO CS18352 [1,0,1,0,0,0|2,0,0]=4 318 B5R0.3 NCC(O)CCl MC427329 [1,0,1,0,0,0|2,0,0]=4 319 B5R0.3 NCC(O)CN CS14232 [1,0,1,0,0,0|2,0,0]=4 320 B5R0.3 NCC(O)CO CS14832 [1,0,1,0,0,0|1,0,0]=3 321 B5R0.3 NCC(O)CO CS18397 [1,0,1,0,0,0|1,0,0]=3 322 B5R0.3 NCC(O)CO MC20311 [1,0,1,0,0,0|1,0,0]=3 323 B5R0.3 O=CC(O)CO MC107096 [1,0,1,0,0,0|1,0,1]=4 324 B5R0.3 O=CC(O)CO MC20361 [1,0,1,0,0,0|1,0,1]=4 325 B5R0.3 O=CC(O)CO MC20362 [1,0,1,0,0,0|1,0,1]=4 326 B5R0.3 OC(CCl)CCl MC428012 [1,0,1,0,0,0|2,0,0]=4 327 B5R0.3 OC(CF)CF MC429449 [1,0,1,0,0,0|2,0,0]=4 328 B5R0.3 OCC(O)CCl CS15061 [1,0,1,0,0,0|1,0,0]=3 329 B5R0.3 OCC(O)CCl MC20314 [1,0,1,0,0,0|1,0,0]=3 330 B5R1.1 C1CCNC1 MC41708 [2,0,0,0,0,0|1,0,0]=3 331 B5R1.1 C1CNNC1 CS16750 [2,0,0,0,0,0|2,0,0]=4 332 B7R0.2 CC(C)CC(N)CO CS14853 [0,1,1,0,0,0|1,0,0]=3 333 B7R0.2 CC(C)CC(N)CO CS19307 [0,1,1,0,0,0|1,0,0]=3 334 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,1,0,0,0|1,0,1]=4 335 B7R0.2 CN(C)CC(O)CO CS15349 [0,1,1,0,0,0|1,0,0]=3 336 B7R0.3 C=CCCC(O)CCl MC114485 [0,1,1,0,0,0|1,0,1]=4 337 B7R0.3 CCC(O)CCCO MC116029 [0,1,1,0,0,0|1,0,0]=3 338 B7R0.3 CSCCC(N)CO MC437961 [0,1,1,0,0,0|1,0,0]=3 339 B7R0.5 CCCC(N)C(=O)O CS10518 [0,1,1,0,0,0|1,0,1]=4 340 B7R0.5 CCCC(N)C(=O)O CS17028 [0,1,1,0,0,0|1,0,1]=4 341 B7R0.5 CCCC(N)C(=O)O MC439125 [0,1,1,0,0,0|1,0,1]=4 342 B7R0.5 CCOC(=O)C(C)O CS20075 [0,1,1,0,0,0|1,0,1]=4 343 B7R0.5 NCCC(O)C(=O)O CS15496 [0,1,1,0,0,0|1,0,1]=4 344 B7R0.5 NCCC(O)C(=O)O CS21759 [0,1,1,0,0,0|1,0,1]=4 345 B7R0.7 CCCC(N)CCO CS16692 [0,1,1,0,0,0|1,0,0]=3 346 B7R0.7 CCOC(=O)COC CS11389 [0,1,1,0,0,0|1,0,1]=4 347 B7R0.7 COCC(N)COC CS21215 [0,1,1,0,0,0|2,0,0]=4 348 B7R0.10 CCC(C)C(N)CO CS18903 [0,1,1,0,0,0|1,0,0]=3 349 B7R0.10 CCC(C)C(N)CO MC437812 [0,1,1,0,0,0|1,0,0]=3 350 B7R0.10 COC(=O)C(O)CO MC429048 [0,1,1,0,0,0|1,0,1]=4 351 B7R0.10 OC(CS)C(O)CS MC436992 [0,1,1,0,0,0|1,1,0]=4 352 B7R0.10 OC(CS)C(O)CS MC436993 [0,1,1,0,0,0|1,1,0]=4 353 B7R0.1 BrCCCCCCBr CS20550 [0,1,1,0,0,0|2,0,0]=4 354 B7R0.1 C#CCCCCCO CS10705 [0,1,1,0,0,0|1,0,0]=3 355 B7R0.1 C=CCCCCCBr CS19607 [0,1,1,0,0,0|2,0,0]=4 356 B7R0.1 COCCOCCN MC431493 [0,1,1,0,0,0|1,0,0]=3 357 B7R0.1 COCOCCC=O MC445436 [0,1,1,0,0,0|1,0,1]=4 358 B7R0.1 N#CCCCCCBr MC41862 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.1 NCCCNCCBr CS13982 [0,1,1,0,0,0|2,0,0]=4 360 B7R0.1 OCCCCCCBr CS14335 [0,1,1,0,0,0|1,0,0]=3 361 B7R0.4 CC(O)CCCCO MC112436 [0,1,1,0,0,0|0,0,0]=2 362 B7R0.4 CCCCCB(O)O CS22305 [0,1,1,0,0,0|2,0,0]=4 363 B7R0.4 CCCCCC(C)O CS21570 [0,1,1,0,0,0|1,0,0]=3 364 B7R0.4 CCCOCC(=O)O MC425744 [0,1,1,0,0,0|0,0,1]=3 365 B7R0.4 CN(C)CCCCO CS22813 [0,1,1,0,0,0|2,0,0]=4 366 B7R0.4 NCCCCC(=O)O MC428108 [0,1,1,0,0,0|1,0,1]=4 367 B7R0.4 O=C(O)CCCCBr MC41866 [0,1,1,0,0,0|1,0,1]=4 368 B7R0.15 CCC(CC)C(C)=O MC425625 [0,1,1,0,0,0|2,0,0]=4 369 B7R0.18 CCC(N)(CO)CO CS21221 [0,1,1,0,0,0|2,0,0]=4 370 B7R0.18 COC(C)(CBr)OC MC41860 [0,1,1,0,0,0|2,0,0]=4 371 B7R1.2 CC1=NC(C)CO1 MC428186 [1,1,0,0,0,0|1,0,1]=4 372 B7R1.2 CC1CCC(C)N1 MC102818 [1,1,0,0,0,0|1,0,0]=3 373 B7R1.2 CC1COC(=O)O1 MC428298 [1,1,0,0,0,0|1,0,1]=4 374 B7R1.2 CN1CCC(N)C1 MC444033 [1,1,0,0,0,0|2,0,0]=4 375 B7R1.2 CN1CCC(N)C1 MC444055 [1,1,0,0,0,0|2,0,0]=4 376 B7R1.2 CN1CCC(N)C1 MC444130 [1,1,0,0,0,0|2,0,0]=4 377 B7R1.2 CN1CCC(O)C1 MC20690 [1,1,0,0,0,0|2,0,0]=4 378 B7R1.2 CN1CCC(O)C1 MC444062 [1,1,0,0,0,0|2,0,0]=4 379 B7R1.2 CN1CCC(O)C1 MC444273 [1,1,0,0,0,0|2,0,0]=4 380 B7R1.2 NC1CCC(O)C1 CS12946 [1,1,0,0,0,0|1,0,0]=3 381 B7R1.2 NC1CCC(O)C1 CS14798 [1,1,0,0,0,0|1,0,0]=3 382 B7R1.2 NC1CCC(O)C1 CS15869 [1,1,0,0,0,0|1,0,0]=3 383 B7R1.2 NC1CCC(O)C1 CS16172 [1,1,0,0,0,0|1,0,0]=3 384 B7R1.2 NC1COC(=O)C1 CS14340 [1,1,0,0,0,0|0,0,2]=4 385 B7R1.2 NC1COC(=O)C1 CS14674 [1,1,0,0,0,0|0,0,2]=4 386 B7R1.4 CC1COCC1N MC444024 [1,1,0,0,0,0|2,0,0]=4 387 B7R1.4 CC1OCCC1=O CS14135 [1,1,0,0,0,0|0,0,1]=3 388 B7R1.4 CN1CCCC1=O MC41699 [1,1,0,0,0,0|2,0,0]=4 389 B7R1.4 NC1CCCC1O CS11147 [1,1,0,0,0,0|1,0,0]=3 390 B7R1.4 NC1CCCC1O CS15594 [1,1,0,0,0,0|1,0,0]=3 391 B7R1.4 NC1CCCC1O CS18884 [1,1,0,0,0,0|1,0,0]=3 392 B7R1.4 NC1CCCC1O CS19404 [1,1,0,0,0,0|1,0,0]=3 393 B7R1.4 NC1CCOC1=O CS18578 [1,1,0,0,0,0|0,0,2]=4 394 B7R1.4 NC1CCOC1=O MC439296 [1,1,0,0,0,0|0,0,2]=4 395 B7R1.4 NC1COCC1O MC105386 [1,1,0,0,0,0|2,0,0]=4 396 B7R1.4 NC1COCC1O MC105387 [1,1,0,0,0,0|2,0,0]=4 397 B7R1.4 NC1COCC1O MC431325 [1,1,0,0,0,0|2,0,0]=4 398 B7R1.4 O=C1CCCC1Br MC445112 [1,1,0,0,0,0|2,0,0]=4 399 B7R1.4 O=C1NCCC1O CS19486 [1,1,0,0,0,0|2,0,0]=4 400 B7R1.4 O=C1NCCC1O MC115910 [1,1,0,0,0,0|2,0,0]=4 401 B7R1.4 O=C1NCCC1O MC444274 [1,1,0,0,0,0|2,0,0]=4 402 B7R1.4 OC1CNCC1O CS20186 [1,1,0,0,0,0|2,0,0]=4 403 B7R1.4 OC1CNCC1O MC103857 [1,1,0,0,0,0|2,0,0]=4 404 B7R1.14 CC1(C)NCCS1 CS22651 [1,1,0,0,0,0|1,1,0]=4 405 B7R1.14 CC1(O)CCCC1 CS20768 [1,1,0,0,0,0|1,0,0]=3 406 B7R1.14 CC1(O)CCNC1 MC107172 [1,1,0,0,0,0|2,0,0]=4 407 B7R1.6 COCC1CCN1 MC103809 [0,1,0,0,1,0|1,0,0]=3 408 B7R1.6 COCC1CCN1 MC103810 [0,1,0,0,1,0|1,0,0]=3 409 B7R1.6 COCC1CNC1 MC444220 [0,1,0,0,1,0|1,0,0]=3 410 B7R1.6 ClCCN1CCC1 MC103600 [0,1,0,0,1,0|2,0,0]=4 411 B7R1.6 N#CCC1CNC1 MC105355 [0,1,0,0,1,0|2,0,0]=4 412 B7R1.6 NNCC1CCC1 MC106836 [0,1,0,0,1,0|1,0,0]=3 413 B7R1.6 OCCN1CCC1 MC106862 [0,1,0,0,1,0|1,0,0]=3 414 B7R1.8 CN1CCC1CN MC104666 [0,1,0,0,1,0|2,0,0]=4 415 B7R1.8 CN1CCC1CN MC104667 [0,1,0,0,1,0|2,0,0]=4 416 B7R1.8 CN1CCC1CN MC105491 [0,1,0,0,1,0|2,0,0]=4 417 B7R1.8 O=C1CCC1CO MC104211 [0,1,0,0,1,0|0,0,1]=3 418 B7R1.8 O=C1CCC1CO MC104212 [0,1,0,0,1,0|0,0,1]=3 419 B7R1.8 O=C1CCC1CO MC104213 [0,1,0,0,1,0|0,0,1]=3 420 B7R1.10 CCN1CC(N)C1 MC103459 [0,1,0,0,1,0|2,0,0]=4 421 B7R1.10 CCN1CC(O)C1 MC444112 [0,1,0,0,1,0|2,0,0]=4 422 B7R1.10 CN1CC(CBr)C1 MC106288 [0,1,0,0,1,0|2,0,0]=4 423 B7R1.10 CNC1CC(O)C1 MC104910 [0,1,0,0,1,0|2,0,0]=4 424 B7R1.10 CNC1CC(O)C1 MC444221 [0,1,0,0,1,0|2,0,0]=4 425 B7R1.10 COC1CC(N)C1 MC102191 [0,1,0,0,1,0|2,0,0]=4 426 B7R1.10 COC1CC(N)C1 MC102192 [0,1,0,0,1,0|2,0,0]=4 427 B7R1.10 COC1CC(N)C1 MC105249 [0,1,0,0,1,0|2,0,0]=4 428 B7R1.10 COC1CC(N)C1 MC105250 [0,1,0,0,1,0|2,0,0]=4 429 B7R1.10 COC1CC(N)C1 MC112995 [0,1,0,0,1,0|2,0,0]=4 430 B7R1.10 COC1CC(N)C1 MC444289 [0,1,0,0,1,0|2,0,0]=4 431 B7R1.10 N#CC1CC(N)C1 MC103407 [0,1,0,0,1,0|1,0,1]=4 432 B7R1.10 NC1CC(CO)C1 MC101938 [0,1,0,0,1,0|0,0,0]=2 433 B7R1.10 NC1CC(CO)C1 MC101939 [0,1,0,0,1,0|0,0,0]=2 434 B7R1.10 NC1CC(CO)C1 MC103939 [0,1,0,0,1,0|0,0,0]=2 435 B7R1.10 NC1CC(CO)C1 MC104003 [0,1,0,0,1,0|0,0,0]=2 436 B7R1.10 NC1CC(CO)C1 MC104004 [0,1,0,0,1,0|0,0,0]=2 437 B7R1.10 NC1CC(CO)C1 MC112994 [0,1,0,0,1,0|0,0,0]=2 438 B7R1.10 NCC1CC(=O)C1 MC444212 [0,1,0,0,1,0|1,0,1]=4 439 B7R1.10 NCC1CC(F)C1 MC103708 [0,1,0,0,1,0|1,0,0]=3 440 B7R1.10 NCC1CC(F)C1 MC104711 [0,1,0,0,1,0|1,0,0]=3 441 B7R1.10 NCC1CC(F)C1 MC444589 [0,1,0,0,1,0|1,0,0]=3 442 B7R1.10 NCC1CC(O)C1 MC101920 [0,1,0,0,1,0|1,0,0]=3 443 B7R1.10 NCC1CC(O)C1 MC101929 [0,1,0,0,1,0|1,0,0]=3 444 B7R1.10 NCC1CC(O)C1 MC103940 [0,1,0,0,1,0|1,0,0]=3 445 B7R1.10 NCC1CC(O)C1 MC113027 [0,1,0,0,1,0|1,0,0]=3 446 B7R1.10 NCC1CC(O)C1 MC115656 [0,1,0,0,1,0|1,0,0]=3 447 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,0,1,0|0,0,1]=3 448 B7R1.18 CC(O)C1CCC1 CS20672 [0,1,0,0,1,0|0,0,0]=2 449 B7R1.18 FC(F)C1CNC1 MC105425 [0,1,0,0,1,0|2,0,0]=4 450 B7R1.18 O=C(O)C1CCC1 CS22786 [0,1,0,0,1,0|0,0,1]=3 451 B7R1.18 O=C(O)C1CCN1 CS16493 [0,1,0,0,1,0|1,0,1]=4 452 B7R1.18 O=C(O)C1CCN1 CS16972 [0,1,0,0,1,0|1,0,1]=4 453 B7R1.18 O=C(O)C1CCN1 CS18844 [0,1,0,0,1,0|1,0,1]=4 454 B7R1.18 O=C(O)C1CCN1 MC436280 [0,1,0,0,1,0|1,0,1]=4 455 B7R1.18 O=C(O)C1CCO1 MC115721 [0,1,0,0,1,0|0,0,1]=3 456 B7R1.18 O=C(O)C1CNC1 CS16485 [0,1,0,0,1,0|1,0,1]=4 457 B7R1.18 O=C(O)C1COC1 CS22389 [0,1,0,0,1,0|1,0,1]=4 458 B7R1.18 O=C(O)C1CSC1 MC100118 [0,1,0,0,1,0|1,0,1]=4 459 B7R1.18 OB(O)C1CCC1 CS12533 [0,1,0,0,1,0|1,0,0]=3 460 B7R1.25 CC1(CBr)COC1 CS22179 [0,1,0,0,1,0|2,0,0]=4 461 B7R1.25 CC1(CN)CCC1 MC104689 [0,1,0,0,1,0|1,0,0]=3 462 B7R1.25 CC1(CN)CCC1 MC121097 [0,1,0,0,1,0|1,0,0]=3 463 B7R1.25 CC1(CN)CNC1 MC102409 [0,1,0,0,1,0|2,0,0]=4 464 B7R1.25 CC1(CN)COC1 CS22390 [0,1,0,0,1,0|2,0,0]=4 465 B7R1.25 CC1(CO)CCO1 MC102954 [0,1,0,0,1,0|0,0,0]=2 466 B7R1.25 CC1(CO)COC1 CS16968 [0,1,0,0,1,0|1,0,0]=3 467 B7R1.25 CC1(CO)CSC1 MC121099 [0,1,0,0,1,0|1,0,0]=3 468 B7R1.25 CC1(CS)COC1 MC115780 [0,1,0,0,1,0|1,1,0]=4 469 B7R1.25 CCC1(N)CNC1 MC105492 [0,1,0,0,1,0|2,0,0]=4 470 B7R1.25 CCC1(N)COC1 MC102900 [0,1,0,0,1,0|2,0,0]=4 471 B7R1.25 CCC1(O)CNC1 MC444268 [0,1,0,0,1,0|2,0,0]=4 472 B7R1.25 FC1(CBr)COC1 MC113194 [0,1,0,0,1,0|2,0,0]=4 473 B7R1.25 FC1(CI)COC1 MC102471 [0,1,0,0,1,0|2,0,0]=4 474 B7R1.25 NC1(CO)COC1 MC102014 [0,1,0,0,1,0|1,0,0]=3 475 B7R1.25 NCC1(F)COC1 MC102450 [0,1,0,0,1,0|2,0,0]=4 476 B7R1.25 NCC1(N)CCC1 CS17914 [0,1,0,0,1,0|1,0,0]=3 477 B7R1.25 NCC1(O)CCC1 CS12835 [0,1,0,0,1,0|1,0,0]=3 478 B7R1.25 OCC1(F)CNC1 MC103712 [0,1,0,0,1,0|1,0,0]=3 479 B7R1.25 OCC1(F)COC1 MC121269 [0,1,0,0,1,0|1,0,0]=3 480 B9R1.1 CN1CCC(CN)CC1 CS21766 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.1 CN1CCC(CO)CC1 CS19632 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.1 NC1CCC(CO)CC1 MC425647 [0,1,0,0,0,1|1,0,0]=3 483 B9R1.1 NCC1CCC(O)CC1 MC102788 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.1 NCC1CCC(O)CC1 MC103405 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.1 NCC1CCC(O)CC1 MC104233 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.2 CC1CCCC(CO)N1 MC104326 [0,1,0,0,0,1|1,0,0]=3 487 B9R1.2 CN1CCCC(CN)C1 CS18007 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.2 CN1CCCC(CN)C1 MC103935 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.2 CN1CCCC(CO)C1 MC425692 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.2 CN1CCNC(CO)C1 MC431434 [0,1,0,0,0,1|1,0,0]=3 491 B9R1.2 CN1CCOC(CN)C1 CS21704 [0,1,0,0,0,1|1,0,0]=3 492 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,0,0,1|1,0,1]=4 493 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,1,0,0,0,1|1,0,1]=4 494 B9R1.6 CC(C)C1CNCCO1 CS16451 [0,1,0,0,0,1|1,0,0]=3 495 B9R1.6 CC(C)C1CNCCO1 MC444036 [0,1,0,0,0,1|1,0,0]=3 496 B9R1.6 CC(C)C1CNCCO1 MC444059 [0,1,0,0,0,1|1,0,0]=3 497 B9R1.6 CC(C)C1COCCN1 MC20926 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.6 CC(C)C1COCCN1 MC444041 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.6 CC(C)C1COCCN1 MC444063 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.6 CC(C)C1COCCN1 MC444288 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.6 FC(F)C1CCNCC1 MC442355 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,1,0,0,0,1|1,0,1]=4 503 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,1,0,0,0,1|1,0,1]=4 504 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,1,0,0,0,1|1,0,1]=4 505 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,1,0,0,0,1|1,0,1]=4 506 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,1,0,0,0,1|1,0,1]=4 507 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,1,0,0,0,1|1,0,1]=4 508 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,1,0,0,0,1|1,0,1]=4 509 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,1,0,0,0,1|1,0,1]=4 510 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,1,0,0,0,1|0,0,1]=3 511 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,1,0,0,0,1|0,1,1]=4 512 B9R1.6 O=C(O)C1CCNCC1 CS15208 [0,1,0,0,0,1|1,0,1]=4 513 B9R1.6 O=C(O)C1CCNCC1 CS22807 [0,1,0,0,0,1|1,0,1]=4 514 B9R1.6 O=C(O)C1CCOCC1 CS18392 [0,1,0,0,0,1|1,0,1]=4 515 B9R1.6 O=C(O)C1CNCCN1 CS16953 [0,1,0,0,0,1|1,0,1]=4 516 B9R1.6 O=C(O)C1CNCCN1 CS17152 [0,1,0,0,0,1|1,0,1]=4 517 B9R1.6 O=C(O)C1CNCCN1 CS22631 [0,1,0,0,0,1|1,0,1]=4 518 B9R1.6 O=C(O)C1CNCCN1 CS22824 [0,1,0,0,0,1|1,0,1]=4 519 B9R1.6 O=C(O)C1CNCCO1 CS21703 [0,1,0,0,0,1|0,0,1]=3 520 B9R1.6 O=C(O)C1CNCCO1 MC444042 [0,1,0,0,0,1|0,0,1]=3 521 B9R1.6 O=C(O)C1CNCCO1 MC444064 [0,1,0,0,0,1|0,0,1]=3 522 B9R1.6 O=C(O)C1COCCN1 CS16814 [0,1,0,0,0,1|1,0,1]=4 523 B9R1.6 O=C(O)C1COCCN1 CS17811 [0,1,0,0,0,1|1,0,1]=4 524 B9R1.6 O=C(O)C1CSCCN1 CS19640 [0,1,0,0,0,1|1,0,1]=4 525 B9R1.6 OB(O)C1CCCCC1 CS18573 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.8 Br[Zn]CC1CCCCC1 MC121338 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.8 CCNC1CCCCC1 CS11778 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.8 CCOC1CCCNC1 CS13869 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.8 CNCC1CCCOC1 MC104397 [0,1,0,0,0,1|1,0,0]=3 530 B9R1.8 COCC1CNCCO1 MC105771 [0,1,0,0,0,1|0,0,0]=2 531 B9R1.8 COCC1CNCCO1 MC444037 [0,1,0,0,0,1|0,0,0]=2 532 B9R1.8 COCC1CNCCO1 MC444190 [0,1,0,0,0,1|0,0,0]=2 533 B9R1.8 N#CCC1CCCNC1 MC113061 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.8 N#CCC1CCNCC1 MC121092 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.8 N#CCC1CCNCC1 MC425238 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.8 NCCC1CCCCC1 CS18358 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.8 NCCC1CCOCC1 MC20509 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.8 OCCC1CCCCN1 CS13732 [0,1,0,0,0,1|1,0,0]=3 539 B9R1.8 OCCC1CCCCN1 CS17564 [0,1,0,0,0,1|1,0,0]=3 540 B9R1.8 OCCC1CCCCN1 MC445188 [0,1,0,0,0,1|1,0,0]=3 541 B9R1.8 OCCC1CNCCN1 CS16449 [0,1,0,0,0,1|1,0,0]=3 542 B9R1.8 OCCC1CNCCN1 CS16450 [0,1,0,0,0,1|1,0,0]=3 543 B9R1.8 OCCC1CNCCN1 MC113929 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.8 OCCC1CNCCO1 MC107498 [0,1,0,0,0,1|0,0,0]=2 545 B9R1.8 OCCN1CCNCC1 CS13442 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.8 OCCN1CCOCC1 CS11708 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.8 OCCN1CCSCC1 CS18622 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.15 CCC1CNCCC1=O CS17950 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.15 CN1CCCCC1CO CS16091 [0,1,0,0,0,1|1,0,0]=3 550 B9R1.15 CN1CCCCC1CO CS16092 [0,1,0,0,0,1|1,0,0]=3 551 B9R1.15 CN1CCCCC1CO CS18858 [0,1,0,0,0,1|1,0,0]=3 552 B9R1.15 CN1CCOCC1CN CS14994 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.15 COC1COCCC1N MC101953 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.15 COC1COCCC1N MC101954 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.15 COC1COCCC1N MC444021 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.15 COC1COCCC1N MC444022 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.15 NCC1CCNCC1O MC105550 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.15 NCC1CCNCC1O MC105642 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.15 OCC1CCNCC1F MC121266 [0,1,0,0,0,1|1,0,0]=3 560 B9R1.118 CC1(CN)CCOCC1 MC104731 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.118 CC1(CO)CCCNC1 MC444219 [0,1,0,0,0,1|1,0,0]=3 562 B9R1.118 CC1(CO)CCNCC1 CS12640 [0,1,0,0,0,1|1,0,0]=3 563 B9R1.118 CCC1(O)CCCCC1 MC111123 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.118 CCC1(O)CCNCC1 MC444349 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.118 NC1(CO)CCOCC1 MC444316 [0,1,0,0,0,1|1,0,0]=3 566 B9R1.118 NC1(CO)CCOCC1 MC444317 [0,1,0,0,0,1|1,0,0]=3 567 B9R1.118 NCC1(F)CCOCC1 MC114975 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.118 NCC1(O)CCOCC1 CS15150 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.118 NCC1(O)CCOCC1 MC31193 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.118 OC1(CBr)CCCCC1 MC107759 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.118 OCC1(O)CCNCC1 MC429078 [0,1,0,0,0,1|1,0,0]=3 572 B9R1.118 OCC1(O)CCNCC1 MC444352 [0,1,0,0,0,1|1,0,0]=3 573 B9R1.7 CN1CCC(CCO)C1 MC102377 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.21 OCC1CCC(CO)N1 MC425139 [0,2,0,0,0,0|1,0,0]=3 575 B9R1.21 OCC1CCC(CO)O1 CS11151 [0,2,0,0,0,0|0,0,0]=2 576 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,2,0,0,0,0|1,0,1]=4 577 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,2,0,0,0,0|1,0,1]=4 578 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,2,0,0,0,0|1,0,1]=4 579 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,2,0,0,0,0|1,0,1]=4 580 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,2,0,0,0,0|1,0,1]=4 581 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,2,0,0,0,0|1,0,1]=4 582 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,2,0,0,0,0|1,0,1]=4 583 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,2,0,0,0,0|1,0,1]=4 584 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,2,0,0,0,0|1,0,1]=4 585 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,2,0,0,0,0|1,0,1]=4 586 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,2,0,0,0,0|1,0,1]=4 587 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,2,0,0,0,0|1,0,1]=4 588 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,2,0,0,0,0|1,0,1]=4 589 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,2,0,0,0,0|1,0,1]=4 590 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,2,0,0,0,0|1,0,1]=4 591 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,2,0,0,0,0|1,0,1]=4 592 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,2,0,0,0,0|1,0,1]=4 593 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,2,0,0,0,0|1,0,1]=4 594 B9R1.132 CN1C(=O)CCC1CO MC102373 [0,2,0,0,0,0|1,0,1]=4 595 B9R1.133 CC1(C)OCC(CCl)O1 MC20698 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.133 CC1(C)OCC(CI)O1 CS20979 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.133 NCC1CCC(F)(F)C1 MC100714 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.133 NCC1CCC(F)(F)C1 MC104922 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.133 NCC1CCC(F)(F)C1 MC105584 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.133 OCC1CC(F)(F)CN1 MC105014 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.133 OCC1CCC(F)(F)C1 MC102154 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.133 OCC1CCC(F)(F)C1 MC104921 [0,2,0,0,0,0|1,0,0]=3 603 B9R1.133 OCC1CCC(F)(F)C1 MC105585 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.11 COC(=O)C1CCCN1 CS11440 [0,2,0,0,0,0|1,0,1]=4 605 B9R1.11 COC(=O)C1CCCN1 CS18447 [0,2,0,0,0,0|1,0,1]=4 606 B9R1.11 COC(=O)C1CCCN1 MC438131 [0,2,0,0,0,0|1,0,1]=4 607 B9R1.19 CC(C)(O)C1CCNC1 MC103851 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.19 CC(C)(O)C1CCNC1 MC103852 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.19 FC(F)(F)C1CCCN1 MC429475 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.19 FC(F)(F)C1CCCN1 MC431073 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.41 CN1CCCC1C(=O)O CS11794 [0,2,0,0,0,0|1,0,1]=4 612 B9R1.41 CN1CCCC1C(=O)O MC437939 [0,2,0,0,0,0|1,0,1]=4 613 B9R1.41 O=C(O)C1NCCC1O MC105345 [0,2,0,0,0,0|1,0,1]=4 614 B9R1.41 O=C(O)C1NCCC1O MC105346 [0,2,0,0,0,0|1,0,1]=4 615 B9R1.41 O=C(O)C1NCCC1O MC105412 [0,2,0,0,0,0|1,0,1]=4 616 B9R1.163 CC1(C(=O)O)CCCN1 MC10549 [0,2,0,0,0,0|1,0,1]=4 617 B9R1.163 CC1(C(=O)O)CCCN1 MC437940 [0,2,0,0,0,0|1,0,1]=4 618 B9R1.163 NC1(C(=O)O)CCCC1 CS18420 [0,2,0,0,0,0|1,0,1]=4 619 B9R1.163 O=C(O)C1(F)CCCC1 MC443736 [0,2,0,0,0,0|1,0,1]=4 620 B9R1.163 O=C(O)C1(O)CCCC1 CS20733 [0,2,0,0,0,0|1,0,1]=4 621 B9R1.12 Br[Mg]CCC1OCCO1 MC116051 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.13 CN(C)CC1CCCN1 MC100101 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.13 CN(C)CC1CCCN1 MC105476 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.13 O=C(O)CC1CCCC1 MC112805 [0,2,0,0,0,0|1,0,0]=3 625 B9R1.13 O=C(O)CC1CCCN1 MC106679 [0,2,0,0,0,0|1,0,0]=3 626 B9R1.13 O=C(O)CC1CCNC1 MC104574 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.13 O=C(O)CC1CCNC1 MC105475 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.13 O=C(O)CC1CCOC1 CS20367 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.33 CN1CCCC1CCN CS17253 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.33 CN1CCCC1CCN CS17948 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.33 CN1CCCC1CCN MC105423 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.33 COCC1CCCC1=O MC106167 [0,2,0,0,0,0|1,0,0]=3 633 B9R1.14 CCN1CCCC1CN CS10140 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.204 BrCC1(CBr)OCCO1 MC41663 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.204 OCC1(CO)CCCC1 MC442320 [0,2,0,0,0,0|1,0,0]=3 636 B7R1.3 BrC1CCCCC1 CS11079 [0,0,1,1,0,0|2,0,0]=4 637 B7R1.3 CC1CCCCN1 MC20418 [0,0,1,1,0,0|2,0,0]=4 638 B7R1.3 CC1CCCNC1 CS16133 [0,0,1,1,0,0|2,0,0]=4 639 B7R1.3 CC1CCCNC1 MC425227 [0,0,1,1,0,0|2,0,0]=4 640 B7R1.3 CC1CNCCN1 CS13503 [0,0,1,1,0,0|2,0,0]=4 641 B7R1.3 CC1CNCCN1 CS17164 [0,0,1,1,0,0|2,0,0]=4 642 B7R1.3 CC1CNCCN1 CS17167 [0,0,1,1,0,0|2,0,0]=4 643 B7R1.3 CC1CNCCO1 CS14515 [0,0,1,1,0,0|1,0,0]=3 644 B7R1.3 CC1CNCCO1 CS14521 [0,0,1,1,0,0|1,0,0]=3 645 B7R1.3 CC1CNCCO1 CS19299 [0,0,1,1,0,0|1,0,0]=3 646 B7R1.3 CC1CNCCO1 CS21692 [0,0,1,1,0,0|1,0,0]=3 647 B7R1.3 CC1CNCCO1 MC444038 [0,0,1,1,0,0|1,0,0]=3 648 B7R1.3 CC1CNCCO1 MC444192 [0,0,1,1,0,0|1,0,0]=3 649 B7R1.3 CC1COCCN1 CS14856 [0,0,1,1,0,0|1,0,0]=3 650 B7R1.3 CC1COCCN1 CS20285 [0,0,1,1,0,0|1,0,0]=3 651 B7R1.3 CC1COCCN1 CS22371 [0,0,1,1,0,0|1,0,0]=3 652 B7R1.3 CC1COCCN1 CS22413 [0,0,1,1,0,0|1,0,0]=3 653 B7R1.3 CC1COCCN1 MC20820 [0,0,1,1,0,0|1,0,0]=3 654 B7R1.3 FC1CCCNC1 MC101908 [0,0,1,1,0,0|2,0,0]=4 655 B7R1.3 FC1CCCNC1 MC101918 [0,0,1,1,0,0|2,0,0]=4 656 B7R1.3 FC1CCCNC1 MC444270 [0,0,1,1,0,0|2,0,0]=4 657 B7R1.3 NC1CCCNC1 CS17178 [0,0,1,1,0,0|2,0,0]=4 658 B7R1.3 NC1CCCNC1 CS17182 [0,0,1,1,0,0|2,0,0]=4 659 B7R1.3 NC1CCCNC1 CS22655 [0,0,1,1,0,0|2,0,0]=4 660 B7R1.3 O=C1CCCOC1 MC31097 [0,0,1,1,0,0|0,0,2]=4 661 B7R1.3 O=C1COCCO1 MC20725 [0,0,1,1,0,0|1,0,1]=4 662 B7R1.3 OC1CCCNC1 CS17016 [0,0,1,1,0,0|1,0,0]=3 663 B7R1.3 OC1CCCNC1 CS17020 [0,0,1,1,0,0|1,0,0]=3 664 B7R1.3 OC1CCCNC1 CS22642 [0,0,1,1,0,0|1,0,0]=3 665 B7R1.3 OC1CCCOC1 CS17782 [0,0,1,1,0,0|0,0,0]=2 666 B7R1.3 OC1CCNCC1 CS14900 [0,0,1,1,0,0|2,0,0]=4 667 B7R1.3 OC1CCNCC1 CS22643 [0,0,1,1,0,0|2,0,0]=4 668 B7R1.3 OC1CCOCC1 CS13929 [0,0,1,1,0,0|2,0,0]=4 669 B7R1.3 OC1CCSCC1 CS12012 [0,0,1,1,0,0|2,0,0]=4 670 B7R1.3 SC1CCCNC1 MC105166 [0,0,1,1,0,0|1,1,0]=4 671 B7R1.21 CCOC1(O)CC1 CS16017 [0,0,1,1,0,0|2,0,0]=4 672 B7R1.7 C=CCCC1CO1 MC42008 [0,0,1,1,0,0|1,0,1]=4 673 B7R1.24 C1CNCCNC1 MC31155 [0,0,1,1,0,0|2,0,0]=4 674 B7R1.24 C1CNCCOC1 CS17007 [0,0,1,1,0,0|1,0,0]=3 675 B7R1.29 OCC1(CO)CC1 MC20742 [0,0,1,1,0,0|2,0,0]=4 676 B7R2.11 C1NC2CC1C2 MC102501 [1,0,0,1,0,0|1,0,0]=3 677 B7R2.13 C1CC2CC2N1 MC105462 [1,0,0,1,0,0|1,0,0]=3 678 B7R2.13 C1CC2CC2N1 MC121378 [1,0,0,1,0,0|1,0,0]=3 679 B7R2.13 C1NCC2CC12 MC104429 [1,0,0,1,0,0|2,0,0]=4 680 B7R2.13 C1NCC2CC12 MC425327 [1,0,0,1,0,0|2,0,0]=4 681 B7R2.8 NC1C2CC1C2 MC104372 [0,0,0,1,1,0|1,0,0]=3 682 B9R2.49 C1CC2CCC1CN2 MC425241 [0,0,0,1,0,1|2,0,0]=4 683 B9R2.49 C1CC2CNC1CO2 MC103904 [0,0,0,1,0,1|1,0,0]=3 684 B9R2.49 C1CC2CNC1CO2 MC444195 [0,0,0,1,0,1|1,0,0]=3 685 B9R2.49 C1CN2CCC1CC2 MC440084 [0,0,0,1,0,1|2,0,0]=4 686 B9R2.50 C1CNC2CNC2C1 MC105483 [0,0,0,1,0,1|2,0,0]=4 687 B9R2.53 OC1C2CNCC1C2 MC102420 [0,0,0,1,0,1|1,0,0]=3 688 B9R2.53 OC1C2CNCC1C2 MC104428 [0,0,0,1,0,1|1,0,0]=3 689 B9R2.56 OCC12CNCC1C2 MC102107 [0,0,0,1,0,1|1,0,0]=3 690 B9R2.56 OCC12CNCC1C2 MC104737 [0,0,0,1,0,1|1,0,0]=3 691 B9R2.65 OCC1C2CNCC12 MC104303 [0,0,0,1,0,1|1,0,0]=3 692 B9R2.65 OCC1C2CNCC12 MC444495 [0,0,0,1,0,1|1,0,0]=3 693 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,1,0,1|2,0,0]=4 694 B9R2.68 C1CC2CNCC1N2 CS15955 [0,0,0,1,0,1|2,0,0]=4 695 B9R2.68 C1CC2CNCC1O2 CS10860 [0,0,0,1,0,1|1,0,0]=3 696 B9R2.68 C1CC2COCC1N2 CS14923 [0,0,0,1,0,1|2,0,0]=4 697 B9R2.68 C1CC2COCC1N2 MC102946 [0,0,0,1,0,1|2,0,0]=4 698 B9R2.68 C1CC2COCC1N2 MC105474 [0,0,0,1,0,1|2,0,0]=4 699 B9R2.68 C1CN2CCC(C2)N1 MC103662 [0,0,0,1,0,1|2,0,0]=4 700 B9R2.68 C1CN2CCC(C2)N1 MC105589 [0,0,0,1,0,1|2,0,0]=4 701 B9R2.70 OCC1NCC2CC21 MC115689 [0,0,0,1,0,1|1,0,0]=3 702 B9R2.174 C1CC2(CCN1)CC2 CS16182 [0,0,0,1,0,1|2,0,0]=4 703 B9R2.174 C1CC2(CCN1)CC2 MC102060 [0,0,0,1,0,1|2,0,0]=4 704 B9R2.174 C1CCC2(CC2)NC1 MC121178 [0,0,0,1,0,1|2,0,0]=4 705 B9R2.174 C1CNC2(CC2)CN1 CS14777 [0,0,0,1,0,1|2,0,0]=4 706 B9R2.174 C1CNC2(CC2)CN1 MC104518 [0,0,0,1,0,1|2,0,0]=4 707 B9R2.174 C1CNC2(CC2)CN1 MC444304 [0,0,0,1,0,1|2,0,0]=4 708 B9R2.39 CN1CC2CC1CN2 MC105470 [0,1,0,1,0,0|2,0,0]=4 709 B9R2.39 CN1CC2CC1CN2 MC105471 [0,1,0,1,0,0|2,0,0]=4 710 B9R2.39 CN1CC2CC1CN2 MC444003 [0,1,0,1,0,0|2,0,0]=4 711 B9R2.39 CN1CC2CC1CN2 MC444008 [0,1,0,1,0,0|2,0,0]=4 712 B9R2.39 OC1CC2CC1CN2 MC104240 [0,1,0,1,0,0|1,0,0]=3 713 B9R2.39 OC1CC2CCC1N2 MC105311 [0,1,0,1,0,0|1,0,0]=3 714 B9R2.39 OC1CC2CCC1N2 MC105312 [0,1,0,1,0,0|1,0,0]=3 715 B9R2.39 OC1CC2CNC1C2 MC104241 [0,1,0,1,0,0|1,0,0]=3 716 B9R2.39 OC1CC2CNC1C2 MC104242 [0,1,0,1,0,0|1,0,0]=3 717 B9R2.3 C1CC2CNCC2C1 CS11156 [0,1,0,1,0,0|2,0,0]=4 718 B9R2.3 C1CC2CNCC2C1 CS19616 [0,1,0,1,0,0|2,0,0]=4 719 B9R2.3 C1CC2CNCC2C1 MC104639 [0,1,0,1,0,0|2,0,0]=4 720 B9R2.3 C1CC2CNCC2O1 MC105099 [0,1,0,1,0,0|1,0,0]=3 721 B9R2.3 C1NCC2COCC12 MC103726 [0,1,0,1,0,0|2,0,0]=4 722 B9R2.173 C1CC2(CCO2)CN1 MC102909 [0,1,0,1,0,0|2,0,0]=4 723 B9R2.173 C1CC2(CCO2)CN1 MC103911 [0,1,0,1,0,0|2,0,0]=4 724 B9R2.173 C1CC2(CCO2)CN1 MC444133 [0,1,0,1,0,0|2,0,0]=4 725 B9R2.173 C1CC2(CN1)COC2 MC444196 [0,1,0,1,0,0|2,0,0]=4 726 B9R2.173 C1CCC2(C1)CCN2 MC104800 [0,1,0,1,0,0|2,0,0]=4 727 B9R2.173 C1CCC2(C1)CNC2 MC103514 [0,1,0,1,0,0|2,0,0]=4 728 B9R2.173 C1CCC2(C1)CNC2 MC105257 [0,1,0,1,0,0|2,0,0]=4 729 B9R2.173 C1CNC2(C1)CCC2 MC102196 [0,1,0,1,0,0|2,0,0]=4 730 B9R2.173 C1CNC2(C1)CCC2 MC105663 [0,1,0,1,0,0|2,0,0]=4 731 B9R2.173 C1CNC2(C1)COC2 MC102197 [0,1,0,1,0,0|1,0,0]=3 732 B9R2.173 C1CNC2(C1)COC2 MC102912 [0,1,0,1,0,0|1,0,0]=3 733 B9R2.173 C1COC2(C1)CNC2 MC102068 [0,1,0,1,0,0|1,0,0]=3 734 B5R1.2 BrC1CNC1 MC444255 [1,0,0,0,1,0|2,0,0]=4 735 B5R1.2 BrC1COC1 MC425330 [1,0,0,0,1,0|2,0,0]=4 736 B5R1.2 CC1CNC1 CS13089 [1,0,0,0,1,0|1,0,0]=3 737 B5R1.2 ClC1CNC1 MC444320 [1,0,0,0,1,0|2,0,0]=4 738 B5R1.2 FC1CNC1 CS22297 [1,0,0,0,1,0|2,0,0]=4 739 B5R1.2 FC1COC1 MC113065 [1,0,0,0,1,0|2,0,0]=4 740 B5R1.2 IC1CNC1 MC444286 [1,0,0,0,1,0|2,0,0]=4 741 B5R1.2 IC1COC1 MC10503 [1,0,0,0,1,0|2,0,0]=4 742 B5R1.2 NC1COC1 CS22388 [1,0,0,0,1,0|2,0,0]=4 743 B5R1.2 NC1COC1 MC425332 [1,0,0,0,1,0|2,0,0]=4 744 B5R1.2 NC1CSC1 MC102176 [1,0,0,0,1,0|2,0,0]=4 745 B5R1.2 NC1CSC1 MC115657 [1,0,0,0,1,0|2,0,0]=4 746 B5R1.2 O=C1CCC1 MC10479 [1,0,0,0,1,0|0,0,2]=4 747 B5R1.2 OC1CCC1 CS11176 [1,0,0,0,1,0|0,0,0]=2 748 B5R1.2 OC1CNC1 CS14687 [1,0,0,0,1,0|1,0,0]=3 749 B5R1.2 OC1COC1 CS19329 [1,0,0,0,1,0|1,0,0]=3 750 B5R1.2 SC1COC1 MC101966 [1,0,0,0,1,0|1,1,0]=4 751 B5R1.3 BrCC1CC1 MC10481 [0,0,0,0,2,0|1,0,0]=3 752 B5R1.3 Br[Zn]C1CC1 MC121325 [0,0,0,0,2,0|2,0,0]=4 753 B5R1.3 C=CC1CO1 MC428261 [0,0,0,0,2,0|1,0,1]=4 754 B5R1.3 CCC1CO1 MC20699 [0,0,0,0,2,0|1,0,0]=3 755 B5R1.3 CCC1CO1 MC428314 [0,0,0,0,2,0|1,0,0]=3 756 B5R1.3 CNC1CC1 CS13160 [0,0,0,0,2,0|2,0,0]=4 757 B5R1.3 ClCC1CC1 CS19956 [0,0,0,0,2,0|1,0,0]=3 758 B5R1.3 ClCC1CO1 MC20322 [0,0,0,0,2,0|1,0,0]=3 759 B5R1.3 ClCC1CO1 MC41680 [0,0,0,0,2,0|1,0,0]=3 760 B5R1.3 ICC1CO1 MC102795 [0,0,0,0,2,0|1,0,0]=3 761 B5R1.3 N#CC1CC1 MC41837 [0,0,0,0,2,0|1,0,1]=4 762 B5R1.3 NCC1CC1 CS18907 [0,0,0,0,2,0|1,0,0]=3 763 B5R1.3 NNC1CC1 CS15677 [0,0,0,0,2,0|2,0,0]=4 764 B5R1.3 NNC1CC1 CS18095 [0,0,0,0,2,0|2,0,0]=4 765 B5R1.3 O=CC1CC1 MC428327 [0,0,0,0,2,0|0,0,2]=4 766 B5R1.3 OCC1CC1 CS19620 [0,0,0,0,2,0|0,0,0]=2 767 B9R1.89 OCC1CCCCNC1 MC105285 [0,0,0,0,0,2|1,0,0]=3