0 B6R0.1 CCC(C)CCBr MC112369 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCCC(=O)NN CS22544 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCCC(C)CBr MC112368 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.1 CCCC(O)CO CS20495 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 OC(CBr)CCBr MC107100 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 OC(CBr)CCBr MC107101 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 OCCC(O)CO MC42234 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 CC(C)CC=O CS11530 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CC(N)CCO CS14355 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 CC(N)CCO CS14356 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CC(N)CCO CS22096 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CC(O)CON CS17735 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|0,0,1]=2 16 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CN(C)CCBr CS10949 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CN(C)CCCl CS14471 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CN(C)CCCl CS17225 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CN(C)CCN CS18603 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CN(C)CCO CS11733 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 COCC(C)N CS15401 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 COCC(C)O CS20249 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 COCC(C)O CS20309 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 COCC(C)O CS20741 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 BrCCCCBr MC41885 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 C=CCCON MC110761 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.2 C=CCC[Zn]Br MC121337 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.2 CCCCCBr CS20657 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.2 CCCC[Zn]Br MC121334 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CCOCCBr CS21396 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 CCOCCCl MC428008 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 CNCCC#N CS22369 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CNCCCO CS14200 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.2 CNCCNC CS15116 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 CNCCOC MC427349 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.2 COCCC#N CS22345 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 COCCCBr CS20649 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 COCCCO CS20039 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.2 COCCNN MC103229 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 COCCNN MC107041 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.2 COCCOC MC41899 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.2 COCCOC MC445008 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.2 N#CCCCBr MC433750 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 NCCCCBr CS14979 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 NCCCCN CS19906 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 CCC(C)[Zn]Br MC121335 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.3 CCC(N)CO CS15119 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.3 CCC(N)CO MC10528 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.3 CCC(N)CO MC20718 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.3 CCC(N)CO MC436159 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.3 CCC(O)CO CS15622 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.3 COC(C)CN CS17733 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 COC(C)CO CS12306 [1,0,0,0,0,0|1,0,2]=4 65 B5R0.3 O=CC(=O)CO MC427604 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 O=CC(Br)C=O CS18151 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 O=CC(O)CO MC107096 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.3 O=CC(O)CO MC20361 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.3 O=CC(O)CO MC20362 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.2 CC(C)CC(N)CO CS14853 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.2 CC(C)CC(N)CO CS19307 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.3 CCC(O)CCCO MC116029 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.3 CSCCC(N)CO MC437961 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.5 C#CCC(N)C(=O)O CS13900 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.5 C#CCC(N)C(=O)O MC21037 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.5 C#CCC(N)C(=O)O MC438112 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.5 CCCC(N)C(=O)O CS10518 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.5 CCCC(N)C(=O)O CS17028 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.5 CCCC(N)C(=O)O MC439125 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.5 CCCC(N)C(N)=O MC438024 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.5 COCC(N)C(=O)O CS12183 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.5 COCC(N)C(=O)O CS16755 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.5 COCC(N)C(=O)O CS20335 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.5 CSCC(N)C(=O)O MC439293 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.5 N#CCC(N)C(=O)O MC436869 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.5 NC(CCO)C(=O)O CS13886 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.5 NC(CCO)C(=O)O CS16701 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.5 NC(CCO)C(=O)O CS22620 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 NCCC(N)C(=O)O CS13874 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.5 NCCC(N)C(=O)O CS15080 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.5 NCCC(N)C(=O)O MC436921 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.5 NCCC(N)C(=O)O MC439091 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.5 NCCC(N)C(=O)O MC439321 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.5 NCCC(O)C(=O)O CS15496 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.5 NCCC(O)C(=O)O CS21759 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.7 CCCC(N)CCO CS16692 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.10 CCC(C)C(N)CO CS18903 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.10 CCC(C)C(N)CO MC437812 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.11 COCC(C)(C)CN MC418388 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.11 COCC(C)(C)CN MC431431 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.12 COC(CSC)OC MC10796 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.1 BrCC1CCCC1 MC20145 [0,0,0,1,0,0|1,0,1]=3 107 B7R1.1 BrCC1CCCN1 MC114648 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.1 BrCC1CCCO1 MC106365 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.1 C#CC1CCOC1 MC103679 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 CCC1CCCN1 MC110951 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.1 CNC1CCOC1 MC104966 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.1 CNC1CCOC1 MC105597 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.1 COC1CCCN1 MC41692 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.1 COC1CCNC1 CS12136 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.1 COC1CCNC1 CS12137 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.1 COC1CCNC1 CS22350 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.1 FCC1CCCN1 MC100102 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.1 FCC1CCNC1 MC103199 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.1 N#CC1CCCC1 MC433761 [0,0,0,1,0,0|1,0,1]=3 121 B7R1.1 N#CC1CCCN1 MC104069 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.1 N#CC1CCOC1 MC103877 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.1 N#CC1CCOC1 MC103878 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.1 NCC1CCCC1 CS14873 [0,0,0,1,0,0|1,0,1]=3 125 B7R1.1 NCC1CCCN1 CS15469 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.1 NCC1CCCN1 CS15745 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.1 NCC1CCNC1 MC431426 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.1 NCC1CCOC1 MC102307 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.1 NCC1CCOC1 MC103862 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.1 NCC1CCOC1 MC115675 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.1 NCC1CCOC1 MC121256 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.1 O=CC1=CCCC1 CS12865 [0,0,0,1,0,0|0,0,2]=3 133 B7R1.1 O=CC1CCCC1 MC21048 [0,0,0,1,0,0|0,0,0]=1 134 B7R1.1 OCC1CCCC1 CS11185 [0,0,0,1,0,0|0,0,2]=3 135 B7R1.1 OCC1CCCN1 CS17003 [0,0,0,1,0,0|1,0,2]=4 136 B7R1.1 OCC1CCCN1 CS22640 [0,0,0,1,0,0|1,0,2]=4 137 B7R1.1 OCC1CCCO1 MC20392 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.1 OCC1CCNC1 CS11284 [0,0,0,1,0,0|1,0,2]=4 139 B7R1.1 OCC1CCNC1 CS16764 [0,0,0,1,0,0|1,0,2]=4 140 B7R1.1 OCC1CCNC1 CS18341 [0,0,0,1,0,0|1,0,2]=4 141 B7R1.1 OCC1CCNC1 MC102405 [0,0,0,1,0,0|1,0,2]=4 142 B7R1.1 OCC1CCNC1 MC115660 [0,0,0,1,0,0|1,0,2]=4 143 B7R1.1 OCC1CCOC1 MC113000 [0,0,0,1,0,0|1,0,2]=4 144 B7R1.1 OCC1CCOC1 MC113001 [0,0,0,1,0,0|1,0,2]=4 145 B7R1.1 OCC1CCOC1 MC427704 [0,0,0,1,0,0|1,0,2]=4 146 B7R1.2 BrC1C=CC(Br)C1 MC110604 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.2 CC1CCC(C)N1 MC102818 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,1,0,0|1,0,1]=3 151 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,1,0,0|1,0,1]=3 152 B7R1.3 CC1CNCCN1 CS13503 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.3 CC1CNCCN1 CS17164 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.3 CC1CNCCN1 CS17167 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.3 CC1COCCN1 CS14856 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.3 CC1COCCN1 CS20285 [0,0,0,1,0,0|1,0,2]=4 163 B7R1.3 CC1COCCN1 CS22371 [0,0,0,1,0,0|1,0,2]=4 164 B7R1.3 CC1COCCN1 CS22413 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.3 CC1COCCN1 MC20820 [0,0,0,1,0,0|1,0,2]=4 166 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.4 CC1COCC1N MC444024 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.4 CC1OCCC1=O CS14135 [0,0,0,1,0,0|1,0,0]=2 180 B7R1.4 CN1CCCC1=O MC41699 [0,0,0,1,0,0|1,0,0]=2 181 B7R1.4 CN1N=CCC1=O CS15601 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.4 NC1CCCC1O CS11147 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.4 NC1CCCC1O CS15594 [0,0,0,1,0,0|1,0,2]=4 184 B7R1.4 NC1CCCC1O CS18884 [0,0,0,1,0,0|1,0,2]=4 185 B7R1.4 NC1CCCC1O CS19404 [0,0,0,1,0,0|1,0,2]=4 186 B7R1.4 NC1CCNC1=O MC107169 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.4 NC1CCNC1=O MC115917 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.4 NC1CCOC1=O CS18578 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.4 NC1CCOC1=O MC439296 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.4 NC1CCSC1=O MC428331 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.4 NC1CONC1=O CS19264 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.4 NC1CONC1=O CS22528 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.4 NC1CONC1=O MC436879 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.4 NN1CCOC1=O MC102926 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.4 O=C1CCC=C1O CS14654 [0,0,0,1,0,0|1,0,2]=4 196 B7R1.4 O=C1CCCC1Br MC445112 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.4 O=C1NCCC1O CS19486 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.4 O=C1NCCC1O MC115910 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.4 O=C1NCCC1O MC444274 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.6 COCC1CCN1 MC103809 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.6 COCC1CCN1 MC103810 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.6 COCC1CNC1 MC444220 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.10 CN1CC(CBr)C1 MC106288 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.10 CNC1CC(O)C1 MC104910 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.10 CNC1CC(O)C1 MC444221 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.10 CNC1CN(C)C1 MC103651 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.10 COC1CC(N)C1 MC102191 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.10 COC1CC(N)C1 MC102192 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.10 COC1CC(N)C1 MC105249 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.10 COC1CC(N)C1 MC105250 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.10 COC1CC(N)C1 MC112995 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.10 COC1CC(N)C1 MC444289 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.10 N#CC1CC(N)C1 MC103407 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.10 NC1CC(CO)C1 MC101938 [0,0,0,1,0,0|1,0,2]=4 215 B7R1.10 NC1CC(CO)C1 MC101939 [0,0,0,1,0,0|1,0,2]=4 216 B7R1.10 NC1CC(CO)C1 MC103939 [0,0,0,1,0,0|1,0,2]=4 217 B7R1.10 NC1CC(CO)C1 MC104003 [0,0,0,1,0,0|1,0,2]=4 218 B7R1.10 NC1CC(CO)C1 MC104004 [0,0,0,1,0,0|1,0,2]=4 219 B7R1.10 NC1CC(CO)C1 MC112994 [0,0,0,1,0,0|1,0,2]=4 220 B7R1.10 NCC1CC(F)C1 MC103708 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.10 NCC1CC(F)C1 MC104711 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.10 NCC1CC(F)C1 MC444589 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.10 NCC1CC(O)C1 MC101920 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.10 NCC1CC(O)C1 MC101929 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.10 NCC1CC(O)C1 MC103940 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.10 NCC1CC(O)C1 MC113027 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.10 NCC1CC(O)C1 MC115656 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.25 C#CC1(C)COC1 MC115770 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.25 CC1(C#N)CNC1 MC102403 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.25 CC1(C#N)COC1 MC115746 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.25 CC1(C=O)COC1 MC444293 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.25 CC1(CBr)COC1 CS22179 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.25 CC1(CN)CCC1 MC104689 [0,0,0,1,0,0|1,0,1]=3 234 B7R1.25 CC1(CN)CCC1 MC121097 [0,0,0,1,0,0|1,0,1]=3 235 B7R1.25 CC1(CN)CNC1 MC102409 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.25 CC1(CN)COC1 CS22390 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.25 CC1(CO)CCO1 MC102954 [0,0,0,1,0,0|1,0,2]=4 238 B7R1.25 CC1(CO)COC1 CS16968 [0,0,0,1,0,0|1,0,2]=4 239 B7R1.25 CC1(CO)CSC1 MC121099 [0,0,0,1,0,0|1,0,2]=4 240 B7R1.25 CC1(CS)COC1 MC115780 [0,0,0,1,0,0|1,1,1]=4 241 B7R1.25 CNC1(C)COC1 MC115767 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.25 COC1(C)CNC1 MC112993 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.25 NCC1(N)CCC1 CS17914 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.25 NCC1(O)CCC1 CS12835 [0,0,0,1,0,0|2,0,1]=4 245 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,1]=4 246 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,1]=4 247 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,1]=4 248 B4R0.1 CC(C)C#N MC41920 [2,0,0,0,0,0|1,0,1]=4 249 B4R0.1 CC(C)NN CS11525 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.1 CC(C)ON CS13668 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.1 CC(C)[Zn]Br MC121350 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.1 CC(Cl)CO CS20251 [2,0,0,0,0,0|2,0,0]=4 253 B4R0.1 CC(Cl)CO MC428270 [2,0,0,0,0,0|2,0,0]=4 254 B4R0.1 CC(N)CN CS20323 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.1 CC(N)CN MC10147 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.1 CC(N)CO CS14182 [2,0,0,0,0,0|2,0,0]=4 257 B4R0.1 CC(N)CO CS19476 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.1 CC(N)CO CS21310 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.1 CC(O)CCl MC20696 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.1 CC(O)CCl MC20697 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.1 CC(O)CN CS14075 [2,0,0,0,0,0|1,0,1]=4 262 B4R0.1 CC(O)CO MC20330 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|0,0,1]=3 264 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,1]=4 265 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|1,0,1]=4 266 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,0]=2 267 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|0,0,1]=3 268 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 269 B4R0.2 CCNCC CS11240 [2,0,0,0,0,0|1,0,0]=3 270 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|2,0,0]=4 271 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,0]=3 272 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|1,0,0]=3 273 B4R0.2 CC[Zn]CC MC10752 [2,0,0,0,0,0|1,0,0]=3 274 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.2 COCCCl MC428007 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,2]=4 277 B4R0.2 ClCCCBr MC41861 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.2 NCCCBr CS22190 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.2 NCCCS MC428180 [2,0,0,0,0,0|1,1,0]=4 280 B4R0.2 [NH3+]CCCS MC428140 [2,0,0,0,0,0|1,1,0]=4 281 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.2 CC(C)PC(C)C MC444830 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.3 CC(C)C(C)CO MC113312 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.3 CC(C)C(N)CO CS17224 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.3 CC(C)C(N)CO CS22659 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.3 CC(O)C(N)CO MC438221 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.3 CCC(N)C(N)=O CS15891 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.3 CCC(N)C(N)=O MC436006 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|0,0,1]=3 301 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|0,0,1]=3 302 B6R0.4 CC(=O)NCCCl MC33011 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.4 CC(C)CCC=O MC428026 [1,1,0,0,0,0|0,0,2]=4 304 B6R0.4 CC(C)CCCO MC428025 [1,1,0,0,0,0|0,0,1]=3 305 B6R0.4 CC(C)NCCN MC20461 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.4 CCCCC(=O)Cl MC40508 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.4 CN(C)CCCBr CS22184 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.4 CN(C)CCCCl CS13505 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.4 CN(C)CCCCl CS14943 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.4 CNCCN(C)C CS11723 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 CNCCN(C)C CS15131 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.4 NCCCC(N)=O MC112262 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.4 O=C(Cl)CCCCl MC40450 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|1,0,1]=4 316 B6R0.5 CC(C)(C)CCO CS21905 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.5 CC(C)(F)CCN MC116087 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.5 CC(C)(O)CCBr CS15788 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.5 CCCS(=O)(=O)Cl MC20992 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.5 CCCS(=O)(=O)O MC32073 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.5 CCCS(N)(=O)=O MC32075 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.5 CCOS(C)(=O)=O MC445528 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.5 CS(=O)(=O)CCN CS21301 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.6 BrCCCCCBr MC41886 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.6 C#CCCCCO MC424004 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.6 C=CCCCCCl MC427568 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.6 C=CCCCCN MC111853 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.6 C=CCCCCO CS10397 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.6 C=CCCC[Zn]Br MC121349 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.6 C=COCCCN MC41859 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.6 CCCOCCCl MC428009 [1,1,0,0,0,0|1,0,1]=4 333 B6R0.6 COCCCC=O MC111975 [1,1,0,0,0,0|0,0,0]=2 334 B6R0.6 COCCCCBr CS22933 [1,1,0,0,0,0|1,0,1]=4 335 B6R0.6 COCCCCCl MC428014 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.6 FCCCCCBr CS14708 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.6 FCCCC[Mg]Br MC116032 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.6 N#CCCCCCl CS10359 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.6 NCCCCCN CS19074 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.6 OCCCCCCl CS14778 [1,1,0,0,0,0|0,0,2]=4 341 B6R0.6 OCCCCCO CS20549 [1,1,0,0,0,0|0,0,2]=4 342 B6R0.8 C#CC(C)(N)CC CS22059 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.8 CC(C)(C=O)CO MC21089 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.8 CCC(Br)(Br)C=O MC106928 [1,1,0,0,0,0|1,0,0]=3 345 B6R0.8 CCC(C)(N)C#N CS17000 [1,1,0,0,0,0|1,0,1]=4 346 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,2,0,0,0,0|1,0,0]=3 347 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,2,0,0,0,0|1,0,0]=3 348 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,2,0,0,0,0|1,0,0]=3 349 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,2,0,0,0,0|1,0,0]=3 350 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,2,0,0,0,0|1,0,0]=3 351 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,2,0,0,0,0|1,0,0]=3 352 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [0,2,0,0,0,0|1,0,0]=3 353 B8R0.2 COC(C)C(N)C(=O)O MC439018 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.2 O=C(O)C(O)C(O)CO MC20861 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.2 O=C([O-])C(O)C(O)CO CS13317 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.2 O=C([O-])C(O)C(O)CO MC428259 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,2,0,0,0,0|1,0,1]=4 358 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,2,0,0,0,0|1,0,1]=4 359 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,2,0,0,0,0|1,0,1]=4 360 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,2,0,0,0,0|1,0,1]=4 361 B8R0.23 CC(=O)NC(C)C(N)=O MC436017 [0,2,0,0,0,0|1,0,1]=4 362 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,2,0,0,0,0|1,0,0]=3 363 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,2,0,0,0,0|1,0,0]=3 364 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,2,0,0,0,0|1,0,0]=3 366 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,2,0,0,0,0|1,0,0]=3 367 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,2,0,0,0,0|1,0,0]=3 368 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,2,0,0,0,0|1,0,0]=3 369 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,2,0,0,0,0|1,0,0]=3 370 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,2,0,0,0,0|1,0,0]=3 371 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,2,0,0,0,0|1,0,0]=3 372 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,2,0,0,0,0|1,0,0]=3 373 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.1 CCCC(C)CCCO MC112367 [0,2,0,0,0,0|0,0,2]=4 375 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.3 CCOC(=O)C(Cl)C=O MC444619 [0,2,0,0,0,0|1,0,1]=4 377 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.3 COC(=O)C(C)NC=O MC437638 [0,2,0,0,0,0|1,0,1]=4 379 B8R0.3 O=CCC(O)C(O)CO CS21863 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,2,0,0,0,0|1,0,0]=3 381 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,2,0,0,0,0|1,0,0]=3 382 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,2,0,0,0,0|1,0,0]=3 383 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,2,0,0,0,0|1,0,0]=3 386 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,2,0,0,0,0|1,0,0]=3 387 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,2,0,0,0,0|1,0,0]=3 389 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,2,0,0,0,0|1,0,0]=3 390 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,2,0,0,0,0|1,0,0]=3 391 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,2,0,0,0,0|1,0,0]=3 393 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.8 NOCCC(N)C(=O)O MC100566 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.8 NOCCC(N)C(=O)O MC114097 [0,2,0,0,0,0|2,0,0]=4 396 B8R0.12 C=CCC(C)(C)C(=O)O MC20650 [0,2,0,0,0,0|0,0,2]=4 397 B8R0.12 CC(C)(CCN)C(=O)O MC442790 [0,2,0,0,0,0|1,0,0]=3 398 B8R0.12 COCC(F)(F)C(=O)O MC104134 [0,2,0,0,0,0|2,0,0]=4 399 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,2,0,0,0,0|0,0,0]=2 400 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,2,0,0,0,0|0,0,0]=2 401 B6R1.2 BrC1CCNC1 CS15742 [1,0,0,1,0,0|2,0,0]=4 402 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,1,0,0|2,0,0]=4 403 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|1,0,1]=4 404 B6R1.2 CC1CCCN1 CS18299 [1,0,0,1,0,0|1,0,0]=3 405 B6R1.2 CC1CCCN1 CS18800 [1,0,0,1,0,0|1,0,0]=3 406 B6R1.2 CC1CCCN1 CS19735 [1,0,0,1,0,0|1,0,0]=3 407 B6R1.2 CC1CCCN1 CS21699 [1,0,0,1,0,0|1,0,0]=3 408 B6R1.2 CC1CCCN1 CS21700 [1,0,0,1,0,0|1,0,0]=3 409 B6R1.2 CC1CCCN1 MC428345 [1,0,0,1,0,0|1,0,0]=3 410 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|0,0,1]=3 411 B6R1.2 FC1CCNC1 CS12894 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.2 FC1CCNC1 CS14870 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.2 FC1CCNC1 MC31003 [1,0,0,1,0,0|2,0,0]=4 414 B6R1.2 IC1CCOC1 MC101926 [1,0,0,1,0,0|2,0,0]=4 415 B6R1.2 NC1CCOC1 CS12010 [1,0,0,1,0,0|2,0,0]=4 416 B6R1.2 NC1CCOC1 CS13003 [1,0,0,1,0,0|2,0,0]=4 417 B6R1.2 NC1CCOC1 CS20366 [1,0,0,1,0,0|2,0,0]=4 418 B6R1.2 NC1CCOC1 MC443324 [1,0,0,1,0,0|2,0,0]=4 419 B6R1.2 NC1CCOC1 MC444237 [1,0,0,1,0,0|2,0,0]=4 420 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|0,0,1]=3 421 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|1,0,1]=4 422 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|1,0,1]=4 423 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|1,0,1]=4 424 B6R1.2 OC1CCNC1 CS16166 [1,0,0,1,0,0|1,0,1]=4 425 B6R1.2 OC1CCNC1 CS16635 [1,0,0,1,0,0|1,0,1]=4 426 B6R1.2 OC1CCNC1 CS16650 [1,0,0,1,0,0|1,0,1]=4 427 B6R1.2 OC1CCNC1 CS17407 [1,0,0,1,0,0|1,0,1]=4 428 B6R1.2 OC1CCNC1 CS21757 [1,0,0,1,0,0|1,0,1]=4 429 B6R1.2 OC1CCOC1 CS20284 [1,0,0,1,0,0|1,0,1]=4 430 B6R1.2 OC1CCOC1 MC42235 [1,0,0,1,0,0|1,0,1]=4 431 B6R1.2 OC1CCOC1 MC444279 [1,0,0,1,0,0|1,0,1]=4 432 B6R1.3 NCCC1CC1 MC425320 [1,0,0,1,0,0|1,0,1]=4 433 B6R1.3 OCCC1CC1 MC433884 [1,0,0,1,0,0|1,0,1]=4 434 B6R1.5 CC1CC(N)C1 MC105778 [1,0,0,1,0,0|1,0,0]=3 435 B6R1.5 CN1CC(N)C1 MC444125 [1,0,0,1,0,0|2,0,0]=4 436 B6R1.5 CN1CC(O)C1 MC444271 [1,0,0,1,0,0|1,0,1]=4 437 B6R1.5 CN1CC(O)C1 MC444272 [1,0,0,1,0,0|1,0,1]=4 438 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,1,0,0|1,0,1]=4 439 B6R1.5 NC1CC(F)C1 MC101921 [1,0,0,1,0,0|2,0,0]=4 440 B6R1.5 NC1CC(F)C1 MC104866 [1,0,0,1,0,0|2,0,0]=4 441 B6R1.5 NC1CC(F)C1 MC104867 [1,0,0,1,0,0|2,0,0]=4 442 B6R1.5 NC1CC(F)C1 MC112996 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.5 NC1CC(F)C1 MC115644 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.5 NC1CC(F)C1 MC444599 [1,0,0,1,0,0|2,0,0]=4 445 B6R1.5 NC1CC(N)C1 MC103595 [1,0,0,1,0,0|2,0,0]=4 446 B6R1.5 NC1CC(N)C1 MC103596 [1,0,0,1,0,0|2,0,0]=4 447 B6R1.5 NC1CC(N)C1 MC103597 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.5 NC1CC(N)C1 MC103598 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.5 NC1CC(N)C1 MC104654 [1,0,0,1,0,0|2,0,0]=4 450 B6R1.5 NC1CC(O)C1 MC105248 [1,0,0,1,0,0|1,0,1]=4 451 B6R1.5 NC1CC(O)C1 MC105286 [1,0,0,1,0,0|1,0,1]=4 452 B6R1.5 NC1CC(O)C1 MC444231 [1,0,0,1,0,0|1,0,1]=4 453 B6R1.5 NC1CC(O)C1 MC444480 [1,0,0,1,0,0|1,0,1]=4 454 B6R1.5 NC1CC(O)C1 MC444598 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.5 O=C1CC(F)C1 MC104154 [1,0,0,1,0,0|1,0,1]=4 456 B6R1.5 OC1CC(F)C1 MC103711 [1,0,0,1,0,0|1,0,1]=4 457 B6R1.5 OC1CC(F)C1 MC104375 [1,0,0,1,0,0|1,0,1]=4 458 B6R1.5 OC1CC(F)C1 MC104868 [1,0,0,1,0,0|1,0,1]=4 459 B6R1.8 OCC1CC1F MC102847 [1,0,0,1,0,0|2,0,0]=4 460 B6R1.8 OCC1CC1F MC102848 [1,0,0,1,0,0|2,0,0]=4 461 B6R1.8 OCC1CC1F MC102849 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.8 OCC1CC1F MC102850 [1,0,0,1,0,0|2,0,0]=4 463 B6R1.10 CC1(F)CNC1 MC102153 [1,0,0,1,0,0|2,0,0]=4 464 B6R1.10 CC1(N)COC1 CS14859 [1,0,0,1,0,0|2,0,0]=4 465 B6R1.10 CC1(N)COC1 MC444292 [1,0,0,1,0,0|2,0,0]=4 466 B6R1.10 CC1(N)CSC1 MC113158 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.10 CC1(O)CNC1 CS15502 [1,0,0,1,0,0|1,0,1]=4 468 B6R1.11 CC(I)C1CC1 MC429998 [1,0,0,1,0,0|1,0,0]=3 469 B6R1.11 CC(N)C1CC1 MC428207 [1,0,0,1,0,0|1,0,0]=3 470 B6R1.11 NC(=O)C1CC1 CS16456 [1,0,0,1,0,0|1,0,1]=4 471 B6R1.11 O=C(Cl)C1CC1 MC434039 [1,0,0,1,0,0|1,0,1]=4 472 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|1,0,1]=4 473 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,1,0,0|2,0,0]=4 474 B6R1.1 C1=CCOCC1 MC427315 [1,0,0,1,0,0|2,0,0]=4 475 B6R1.1 C1=CCSCC1 MC427366 [1,0,0,1,0,0|2,0,0]=4 476 B6R1.1 C1=COCCC1 MC20500 [1,0,0,1,0,0|0,0,2]=4 477 B6R1.1 C1CCCCC1 MC41853 [1,0,0,1,0,0|1,0,1]=4 478 B6R1.1 C1CCNNC1 CS17893 [1,0,0,1,0,0|2,0,0]=4 479 B6R1.1 C1CC[NH2+]CC1 CS16333 [1,0,0,1,0,0|1,0,1]=4 480 B6R1.4 CC1COC1=O MC121237 [1,0,0,1,0,0|1,0,0]=3 481 B6R1.6 BrCC1CCC1 MC10470 [1,0,0,1,0,0|1,0,1]=4 482 B6R1.6 Cl[Zn]C1CCC1 MC121327 [1,0,0,1,0,0|2,0,0]=4 483 B6R1.6 NCC1CCC1 CS11178 [1,0,0,1,0,0|1,0,1]=4 484 B6R1.6 NNC1CCC1 MC111229 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.1 CN1CCC(CN)C1 MC104144 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.1 CN1CCC(CN)C1 MC105308 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.1 CN1CCC(CO)C1 MC102370 [0,1,0,1,0,0|0,0,2]=4 488 B8R1.1 CN1CCC(CO)C1 MC102371 [0,1,0,1,0,0|0,0,2]=4 489 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,1,0,0|0,0,2]=4 490 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|1,0,0]=3 495 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.4 CC1CCNC(C)C1 CS21125 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.4 CC1CNCC(C)C1 CS14191 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,1,0,0|1,0,1]=4 511 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|1,0,1]=4 512 B8R1.18 CN1CC(N)CC1=O MC104828 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.18 CN1CC(O)CC1=O MC111393 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.53 CC1(C)CC(CBr)C1 MC104311 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.53 CC1(C)CC(CN)C1 MC104310 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.53 CC1(O)CC(CN)C1 MC103743 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.53 CC1(O)CC(CN)C1 MC104882 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.53 O=CC1CC(F)(F)C1 MC431093 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.2 BrCC1=CCCCC1 MC103521 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.2 BrCC1CCCCC1 CS19887 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.2 BrCC1CCCOC1 MC102393 [0,1,0,1,0,0|0,0,2]=4 522 B8R1.2 Br[Zn]C1C=CCCC1 MC116069 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.2 C#CC1CCCOC1 MC104582 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.2 C#CC1CCSCC1 MC104148 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.2 C=CC1CC=CCC1 MC115110 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.2 CNC1CCCNC1 CS22823 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.2 CNC1CCOCC1 CS15192 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.2 COC1CCCNC1 MC31194 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.2 COC1CCCNC1 MC444290 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.2 COC1CCNCC1 MC444354 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.2 CSC1CCNCC1 MC444359 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.2 ICC1CCOCC1 MC31010 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.2 N#CC1CCCCN1 MC105353 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.2 N#CC1CCCCN1 MC444185 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.2 N#CC1CCCNC1 MC105598 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.2 N#CC1CCCNC1 MC444266 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.2 N#CC1CCOCC1 CS12562 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.2 NCC1CCCCC1 MC20908 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.2 NCC1CCCCN1 CS22822 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.2 NCC1CCCOC1 CS18439 [0,1,0,1,0,0|0,0,2]=4 544 B8R1.2 NCC1CCCOC1 MC105501 [0,1,0,1,0,0|0,0,2]=4 545 B8R1.2 NCC1CCCOC1 MC105502 [0,1,0,1,0,0|0,0,2]=4 546 B8R1.2 NCC1CCOCC1 CS18584 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.2 NCC1CCSCC1 MC102976 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.2 NCC1CCSCC1 MC111187 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.2 NNC1CCCCC1 MC442574 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.2 NNC1CCCCC1 MC442575 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.2 NNC1CCOCC1 CS13041 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.2 NNC1CCOCC1 CS20368 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.2 NOC1CCCCO1 CS17026 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.2 O=CC1=CCCOC1 CS10171 [0,1,0,1,0,0|0,0,2]=4 555 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,1,0,0|0,0,0]=2 556 B8R1.2 O=CC1CCCOC1 MC442323 [0,1,0,1,0,0|0,0,0]=2 557 B8R1.2 O=CC1CCOCC1 MC445812 [0,1,0,1,0,0|0,0,0]=2 558 B8R1.2 O=CN1CCOCC1 CS11780 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.2 OCC1CCCCC1 MC20144 [0,1,0,1,0,0|0,0,2]=4 560 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,1,0,0|0,0,2]=4 561 B8R1.2 OCC1CCCNC1 CS15958 [0,1,0,1,0,0|0,0,2]=4 562 B8R1.2 OCC1CCCNC1 CS22817 [0,1,0,1,0,0|0,0,2]=4 563 B8R1.2 OCC1CCCOC1 MC31058 [0,1,0,1,0,0|0,0,2]=4 564 B8R1.2 OCC1CCNCC1 CS22819 [0,1,0,1,0,0|0,0,2]=4 565 B8R1.2 OCC1CCOCC1 CS18741 [0,1,0,1,0,0|0,0,2]=4 566 B8R1.3 CC1CNC(C)CN1 CS14078 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.3 CC1CNC(C)CN1 MC103638 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.3 CC1COC(C)CN1 MC107001 [0,1,0,1,0,0|0,0,2]=4 569 B8R1.3 CC1COC(C)CN1 MC107002 [0,1,0,1,0,0|0,0,2]=4 570 B8R1.5 CC1=NCCCN1C MC20695 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,1,0,0|0,0,0]=2 572 B8R1.5 CC1CCNCC1O MC103744 [0,1,0,1,0,0|0,0,2]=4 573 B8R1.5 CC1CCNCC1O MC103745 [0,1,0,1,0,0|0,0,2]=4 574 B8R1.5 CC1CCNCC1O MC105563 [0,1,0,1,0,0|0,0,2]=4 575 B8R1.5 CC1CCNCC1O MC105564 [0,1,0,1,0,0|0,0,2]=4 576 B8R1.5 CC1CCNCC1O MC444275 [0,1,0,1,0,0|0,0,2]=4 577 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,1,0,0|0,0,0]=2 578 B8R1.5 CC1CNCCN1C MC444011 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.5 CC1CNCCN1C MC444015 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,1,0,0|0,0,0]=2 581 B8R1.5 CC1COCCC1N MC100869 [0,1,0,1,0,0|0,0,2]=4 582 B8R1.5 CC1COCCC1N MC104730 [0,1,0,1,0,0|0,0,2]=4 583 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.5 O=C1CCCC=C1I MC106097 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.5 O=C1CCNCC1Br MC106749 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.22 CC1CCNCCN1 MC104490 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,1,0,1,0,0|0,0,1]=3 594 B8R1.50 CN1CCN(C)C1=O CS16948 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.50 CN1CC[N+](C)=C1Cl CS21423 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.52 CC1(C#N)CCNC1 MC104346 [0,1,0,1,0,0|1,0,1]=4 598 B8R1.52 CC1(CBr)CCOC1 MC104228 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.52 CC1(CN)CCNC1 MC100100 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.52 CC1(CN)CCOC1 MC103499 [0,1,0,1,0,0|1,0,1]=4 601 B8R1.52 CC1(CO)CCOC1 MC104227 [0,1,0,1,0,0|0,0,2]=4 602 B8R1.52 NCC1(O)CCCC1 CS15390 [0,1,0,1,0,0|1,0,1]=4 603 B8R1.52 NCC1(O)CCCC1 MC31148 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.52 OCC1(F)CCCC1 MC443810 [0,1,0,1,0,0|0,0,2]=4 605 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,1,0,1,0,0|0,0,0]=2 606 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,1,0,1,0,0|0,0,0]=2 607 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,1,0,1,0,0|0,0,2]=4 608 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,1,0,0|1,0,0]=3 623 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.7 O=C([O-])C1CSCN1 MC436714 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,1,0,1,0,0|0,0,2]=4 628 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,1,0,1,0,0|0,0,0]=2 629 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,1,0,1,0,0|0,0,0]=2 630 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,1,0,1,0,0|0,0,0]=2 631 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.30 CC1(C(=O)O)CC1F MC102835 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.30 CC1(C(=O)O)CC1F MC102836 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.54 CC(B(O)O)C1CC1 MC429830 [0,1,0,1,0,0|1,0,1]=4 646 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.78 CC(=O)C1(C)COC1 MC444075 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [0,1,0,1,0,0|0,0,0]=2 650 B8R1.78 CC1(C(=O)O)COC1 MC444297 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.78 NC(=O)C1(N)CCC1 MC106178 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.78 NC1(C(=O)O)CNC1 MC113165 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.78 NC1(C(=O)O)COC1 MC444235 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.78 NC1(C(=O)O)CSC1 MC100257 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.78 O=C(O)C1(F)CNC1 MC103706 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.8 ICCC1CCCC1 MC106254 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.8 NCCC1CCCC1 CS15909 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.11 CN1CCCC1CN MC444032 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.11 CN1CCCC1CN MC444049 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.11 CN1CCCC1CO CS14186 [0,1,0,1,0,0|0,0,2]=4 662 B8R1.11 CN1CCCC1CO CS22816 [0,1,0,1,0,0|0,0,2]=4 663 B8R1.11 N#CC1CCCC1=O CS20047 [0,1,0,1,0,0|0,0,1]=3 664 B8R1.11 N#CC1CCCC1N MC104396 [0,1,0,1,0,0|1,0,1]=4 665 B8R1.11 O=C1NCCC1CO MC104392 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.72 CC1(O)CCCNC1 MC444294 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.60 ICC1(CI)CCC1 MC113191 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.60 O=CC1(CBr)COC1 MC430509 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.60 OCC1(CO)CCC1 MC121123 [0,1,0,1,0,0|0,0,2]=4 670 B8R2.34 C1=CC2CCC1C2 CS11805 [0,0,0,2,0,0|1,0,0]=3 671 B8R2.23 C1NCC2CC1C2 MC115688 [0,0,0,2,0,0|1,0,1]=4 672 B8R2.25 C1CC2CC2CN1 MC105241 [0,0,0,2,0,0|1,0,1]=4 673 B8R2.42 C1CC2(C1)CCN2 MC102079 [0,0,0,2,0,0|2,0,0]=4 674 B8R2.42 C1CC2(C1)CNC2 MC444165 [0,0,0,2,0,0|1,0,1]=4