0 B5R0.3 C=C(CO)CO CS21689 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.3 CCC(C)[Zn]Br MC121335 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.3 CCC(N)CO CS15119 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CCC(N)CO MC10528 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 CCC(N)CO MC20718 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 CCC(N)CO MC436159 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 CCC(O)CO CS15622 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.3 COC(=O)CO CS19433 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 COC(C)CN CS17733 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 COC(C)CO CS12306 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 NC(CO)CO CS18352 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.3 NCC(O)CCl MC427329 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 NCC(O)CN CS14232 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 NCC(O)CO CS14832 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.3 NCC(O)CO CS18397 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.3 NCC(O)CO MC20311 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.3 O=C(CO)CO CS11245 [0,0,0,0,0,0|0,0,2]=2 17 B5R0.3 O=CC(=O)CO MC427604 [0,0,0,0,0,0|0,0,4]=4 18 B5R0.3 O=CC(O)CO MC107096 [0,0,0,0,0,0|0,0,2]=2 19 B5R0.3 O=CC(O)CO MC20361 [0,0,0,0,0,0|0,0,2]=2 20 B5R0.3 O=CC(O)CO MC20362 [0,0,0,0,0,0|0,0,2]=2 21 B5R0.3 OC(CCl)CCl MC428012 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 OC(CF)CF MC429449 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 OCC(O)CCl CS15061 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.3 OCC(O)CCl MC20314 [0,0,0,0,0,0|1,0,0]=1 25 B4R0.1 C#CC(C)O MC427719 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|0,0,2]=3 29 B4R0.1 CC(=O)NO CS14961 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CC(C)C#N MC41920 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 CC(C)NN CS11525 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 CC(C)ON CS13668 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 CC(C)[Zn]Br MC121350 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 CC(Cl)CO CS20251 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 CC(Cl)CO MC428270 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 CC(N)CN CS20323 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(N)CN MC10147 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CC(N)CO CS14182 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.1 CC(N)CO CS19476 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 CC(N)CO CS21310 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 CC(O)CCl MC20696 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 CC(O)CCl MC20697 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CC(O)CN CS14075 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(O)CO MC20330 [1,0,0,0,0,0|0,0,0]=1 46 B4R0.1 CCB(O)O CS13979 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 C\C(N)=N\O CS10879 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 FC(F)CBr MC429454 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 FC(F)CI MC429447 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 NCC(=O)O CS19951 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 NCC(F)F MC429451 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 O=C(O)CCl MC41871 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|0,0,2]=3 55 B4R0.1 O=S([O-])CO CS11936 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.1 OCC(F)F CS20974 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.2 C#CCCN MC424006 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.2 CCCCO MC41869 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.2 CCC[Zn]Br MC121348 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.2 CCNCC CS11240 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.2 CC[Zn]CC MC10752 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.2 CNCCO CS20910 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.2 COCCCl MC428007 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.2 ClCCCBr MC41861 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.2 N#CCCBr CS22188 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.2 NCCCBr CS22190 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 NCCCS MC428180 [1,0,0,0,0,0|1,1,0]=3 70 B4R0.2 [NH3+]CCCS MC428140 [1,0,0,0,0,0|1,1,0]=3 71 B6R0.1 CCC(C)CCBr MC112369 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.1 CCCC(C)CBr MC112368 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.1 CCCC(O)CO CS20495 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.1 CCOC(=O)CO CS11386 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.1 N#CCC(O)CCl CS22599 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.1 O=C(CCl)NCO CS14580 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.1 OC(CBr)CCBr MC107100 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.1 OC(CBr)CCBr MC107101 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.1 OCCC(O)CO MC42234 [0,1,0,0,0,0|0,0,0]=1 80 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.3 CC(C)C(C)CO MC113312 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.3 CC(C)C(N)CO CS17224 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.3 CC(C)C(N)CO CS22659 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.3 CC(CN)C(=O)O MC105846 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 CC(CN)C(=O)O MC105847 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 CC(O)C(N)CO MC438221 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.3 CCC(Br)C(=O)O MC426015 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 CCC(N)B(O)O MC442680 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.3 CCC(N)B(O)O MC442681 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.3 CCC(N)C(=O)O CS13661 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 CCC(N)C(=O)O CS14054 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 CCC(N)C(=O)O CS14084 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 NC(=O)C(N)CO MC438160 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.3 NC(CCl)C(=O)O MC436849 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 NC(CCl)C(=O)O MC436850 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 NC(CCl)C(=O)O MC436851 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 NC(CCl)C(=O)O MC436852 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 NC(CF)C(=O)O MC437009 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 NC(CO)C(=O)O CS14731 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.3 NC(CO)C(=O)O CS18949 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.3 NC(CO)C(=O)O CS19144 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.3 NC(CS)C(=O)O CS19113 [0,1,0,0,0,0|1,1,1]=4 104 B6R0.3 NC(CS)C(=O)O CS19417 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.3 NC(CS)C(=O)O CS19655 [0,1,0,0,0,0|1,1,1]=4 106 B6R0.3 NC(CS)C(=O)O MC428046 [0,1,0,0,0,0|1,1,1]=4 107 B6R0.3 NC(CS)C(=O)O MC436887 [0,1,0,0,0,0|1,1,1]=4 108 B6R0.3 NC(CS)C(=O)O MC436888 [0,1,0,0,0,0|1,1,1]=4 109 B6R0.3 NC(CS)C(=O)O MC439001 [0,1,0,0,0,0|1,1,1]=4 110 B6R0.3 NC(C[SeH])C(=O)O MC435423 [0,1,0,0,0,0|1,1,1]=4 111 B6R0.3 NCC(N)C(=O)O CS14756 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 NCC(N)C(=O)O CS19624 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 NCC(N)C(=O)O CS19672 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 NCC(O)C(=O)O CS20294 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.3 NCC(O)C(=O)O MC437816 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.3 O=C(O)C(Br)CBr CS15215 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 O=C(O)C(O)CCl MC10790 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.8 CC(C)(C#N)CO CS13572 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.8 CC(C)(C=O)CO MC21089 [0,1,0,0,0,0|1,0,2]=4 120 B6R0.8 CC(C)(CBr)CBr CS20516 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.8 CC(C)(CN)CO CS22037 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.8 NCC(F)(F)CO MC444228 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.9 COC(CBr)OC MC428001 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.9 COC(CCl)OC MC428004 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.9 COC(CN)OC MC428005 [0,1,0,0,0,0|3,0,0]=4 126 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,1,0,0|3,0,0]=4 127 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.2 FC1CCNC1 CS12894 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 FC1CCNC1 CS14870 [0,0,0,1,0,0|3,0,0]=4 130 B6R1.2 FC1CCNC1 MC31003 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 IC1CCOC1 MC101926 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.2 NC1CC=CC1 CS19415 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 NC1CCOC1 CS12010 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.2 NC1CCOC1 CS13003 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 NC1CCOC1 CS20366 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.2 NC1CCOC1 MC443324 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.2 NC1CCOC1 MC444237 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|1,0,2]=4 139 B6R1.2 OC1CC=CC1 MC10342 [0,0,0,1,0,0|2,0,0]=3 140 B6R1.2 OC1CCNC1 CS16166 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.2 OC1CCNC1 CS16635 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.2 OC1CCNC1 CS16650 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.2 OC1CCNC1 CS17407 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.2 OC1CCNC1 CS21757 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.2 OC1CCOC1 CS20284 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.2 OC1CCOC1 MC42235 [0,0,0,1,0,0|1,0,0]=2 147 B6R1.2 OC1CCOC1 MC444279 [0,0,0,1,0,0|1,0,0]=2 148 B6R1.4 CC1COC1=O MC121237 [0,0,0,1,0,0|1,0,2]=4 149 B6R1.4 NC1CCC1O MC111877 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.6 BrCC1CCC1 MC10470 [0,0,0,1,0,0|3,0,0]=4 151 B6R1.6 BrCC1CCO1 MC444177 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.6 CNC1COC1 MC425340 [0,0,0,1,0,0|3,0,0]=4 153 B6R1.6 CNC1COC1 MC444120 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.6 ICC1COC1 MC101907 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.6 NCC1CCC1 CS11178 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.6 NCC1CCN1 MC121273 [0,0,0,1,0,0|3,0,0]=4 157 B6R1.6 NCC1CCO1 MC121118 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.6 NCC1CNC1 MC105370 [0,0,0,1,0,0|3,0,0]=4 159 B6R1.6 NCC1COC1 MC10517 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.6 NCC1CSC1 MC121257 [0,0,0,1,0,0|2,1,0]=4 161 B6R1.6 NNC1COC1 MC111202 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.6 OCC1CCN1 CS15230 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.6 OCC1CCN1 MC102029 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.6 OCC1CCN1 MC102030 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.6 OCC1CCO1 CS15009 [0,0,0,1,0,0|1,0,0]=2 166 B6R1.6 OCC1CNC1 CS12891 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.6 OCC1CNC1 MC444028 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.6 OCC1COC1 CS14670 [0,0,0,1,0,0|1,0,0]=2 169 B6R1.7 NC1(CF)CC1 MC107347 [0,0,0,1,0,0|3,0,0]=4 170 B6R1.7 NC1(CO)CC1 CS13349 [0,0,0,1,0,0|2,0,0]=3 171 B6R1.7 NC1(CO)CC1 MC113084 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.7 NCC1(O)CC1 CS20441 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.8 OCC1CC1F MC102847 [0,0,0,1,0,0|2,0,0]=3 174 B6R1.8 OCC1CC1F MC102848 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.8 OCC1CC1F MC102849 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.8 OCC1CC1F MC102850 [0,0,0,1,0,0|2,0,0]=3 177 B3R0.1 BrCCBr MC41884 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.1 CCC#N MC41959 [2,0,0,0,0,0|1,0,1]=4 179 B3R0.1 CCON CS11314 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.1 CC[Zn]Br MC116063 [2,0,0,0,0,0|2,0,0]=4 181 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.1 FCCBr MC429448 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.1 NCCBr CS14044 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.1 NCCCl CS16188 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 NCCF CS21564 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.1 SCCS MC20652 [2,0,0,0,0,0|0,2,0]=4 187 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|0,0,2]=4 188 B3R0.2 CC(C)Br MC41864 [2,0,0,0,0,0|1,0,0]=3 189 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|0,1,1]=4 190 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|1,0,1]=4 191 B3R0.2 O=[PH](O)O MC34534 [2,0,0,0,0,0|1,0,1]=4 192 B5R0.1 CC(C)CC=O CS11530 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.1 CC(N)CCO CS14355 [1,1,0,0,0,0|1,0,0]=3 194 B5R0.1 CC(N)CCO CS14356 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.1 CC(N)CCO CS22096 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.1 CC(O)CON CS17735 [1,1,0,0,0,0|0,0,0]=2 197 B5R0.1 CCCB(O)O CS14802 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.1 CN(C)CCO CS11733 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.1 COCC(=O)O CS11579 [1,1,0,0,0,0|0,0,2]=4 200 B5R0.1 COCC(C)N CS15401 [1,1,0,0,0,0|1,0,0]=3 201 B5R0.1 COCC(C)O CS20249 [1,1,0,0,0,0|0,0,0]=2 202 B5R0.1 COCC(C)O CS20309 [1,1,0,0,0,0|0,0,0]=2 203 B5R0.1 COCC(C)O CS20741 [1,1,0,0,0,0|0,0,0]=2 204 B5R0.1 O=C(O)CCO MC20638 [1,1,0,0,0,0|0,0,2]=4 205 B5R0.4 CC(C)(C)CN CS11775 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.4 CC(C)(F)CO MC429446 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.4 CC(C)(N)CN MC443126 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.4 CC(C)(O)CN CS20593 [1,1,0,0,0,0|1,0,0]=3 209 B5R0.4 CC(C)(S)CN MC434042 [1,1,0,0,0,0|1,1,0]=4 210 B5R0.4 CC(F)(F)CN MC428165 [1,1,0,0,0,0|2,0,0]=4 211 B5R0.4 CC(F)(F)CN MC428166 [1,1,0,0,0,0|2,0,0]=4 212 B5R0.4 CC(F)(F)CO MC429356 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.4 OCC(F)(F)F MC429465 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.5 CC(Br)C(=O)O MC20444 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.5 CC(Cl)C(=O)O MC20315 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.5 CC(Cl)C(=O)O MC436860 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.5 CC(F)C(=O)O MC429445 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.5 CC(N)B(O)O MC442650 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.5 CC(N)B(O)O MC442679 [1,1,0,0,0,0|2,0,0]=4 220 B5R0.5 CC(N)B(O)O MC442687 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.5 CC(N)C(=O)O CS18992 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.5 CC(N)C(=O)O CS19143 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.5 CC(N)C(=O)O MC428047 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.5 CC(O)C(=O)O MC437817 [1,1,0,0,0,0|0,0,1]=3 225 B5R0.5 OB(O)B(O)O MC20916 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.2 BrCCCCBr MC41885 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.2 C=CCCON MC110761 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.2 CCCCCBr CS20657 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.2 CCCC[Zn]Br MC121334 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.2 CCOCCBr CS21396 [1,1,0,0,0,0|2,0,0]=4 231 B5R0.2 CCOCCCl MC428008 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.2 CNCCCO CS14200 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.2 CNCCOC MC427349 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.2 COCCC#N CS22345 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.2 COCCCBr CS20649 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.2 COCCCO CS20039 [1,1,0,0,0,0|0,0,0]=2 237 B5R0.2 COCCNN MC103229 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.2 COCCNN MC107041 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.2 COCCOC MC41899 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.2 COCCOC MC445008 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.2 N#CCCCBr MC433750 [1,1,0,0,0,0|2,0,0]=4 242 B5R0.2 NCCCCBr CS14979 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.2 NCCCCN CS19906 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.2 OC\C=C\CCl MC10262 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.2 OC\C=C\CO MC41968 [1,1,0,0,0,0|0,0,1]=3 246 B5R0.2 OC\C=C\CO MC424009 [1,1,0,0,0,0|0,0,1]=3 247 B7R0.2 CC(C)CC(N)CO CS14853 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.2 CC(C)CC(N)CO CS19307 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.2 CN(C)CC(O)CO CS15349 [0,2,0,0,0,0|1,0,0]=3 250 B7R0.2 NCC(O)CC(=O)O CS16710 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.3 C=CCCC(O)CCl MC114485 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.3 CCC(O)CCCO MC116029 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.3 CSCCC(N)CO MC437961 [0,2,0,0,0,0|1,1,0]=4 254 B7R0.5 COCC(N)C(=O)O CS12183 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.5 COCC(N)C(=O)O CS16755 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.5 COCC(N)C(=O)O CS20335 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.5 NC(CCO)C(=O)O CS13886 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.5 NC(CCO)C(=O)O CS16701 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.5 NC(CCO)C(=O)O CS22620 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.5 NCCC(O)C(=O)O CS15496 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.5 NCCC(O)C(=O)O CS21759 [0,2,0,0,0,0|1,0,1]=4 262 B7R0.7 CCCC(N)CCO CS16692 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.7 COCC(N)COC CS21215 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.10 CCC(C)C(N)CO CS18903 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.10 CCC(C)C(N)CO MC437812 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.10 COC(=O)C(F)CO CS17081 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.10 COC(=O)C(N)CO CS16778 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.10 COC(=O)C(N)CO CS16785 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.10 COC(=O)C(N)CO CS22621 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.10 COC(=O)C(O)CO MC429048 [0,2,0,0,0,0|0,0,1]=3 271 B7R0.10 OC(CS)C(O)CS MC436992 [0,2,0,0,0,0|0,1,0]=3 272 B7R0.10 OC(CS)C(O)CS MC436993 [0,2,0,0,0,0|0,1,0]=3 273 B7R0.11 COCC(C)(C)CN MC418388 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.11 COCC(C)(C)CN MC431431 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.13 CC(C)(CO)C(=O)O CS19743 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.13 CC(N)(CO)C(=O)O MC437944 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.13 CC(N)(CO)C(=O)O MC437946 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.13 CC(O)(CBr)C(=O)O CS14051 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.13 OCC(F)(F)C(F)F CS20946 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.14 CC(C)(C)C(N)CO MC439423 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.14 CC(C)(C)C(N)CO MC439424 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.14 CC(CO)C(F)(F)F CS15351 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.14 NC(CO)C(F)(F)F MC430031 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.14 NCC(O)C(F)(F)F MC100013 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.15 CCC(CN)C(=O)O MC105840 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.15 CCC(CN)C(=O)O MC105841 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.15 CNC(CO)C(=O)O MC435500 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.15 CNC(CO)C(=O)O MC437945 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,2,0,0,0,0|1,0,1]=4 294 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.18 CCC(N)(CO)CO CS21221 [0,2,0,0,0,0|1,0,0]=3 297 B5R1.2 BrC1CNC1 MC444255 [1,0,0,1,0,0|2,0,0]=4 298 B5R1.2 BrC1COC1 MC425330 [1,0,0,1,0,0|1,0,0]=3 299 B5R1.2 CC1CNC1 CS13089 [1,0,0,1,0,0|2,0,0]=4 300 B5R1.2 ClC1CNC1 MC444320 [1,0,0,1,0,0|2,0,0]=4 301 B5R1.2 FC1CNC1 CS22297 [1,0,0,1,0,0|2,0,0]=4 302 B5R1.2 FC1COC1 MC113065 [1,0,0,1,0,0|1,0,0]=3 303 B5R1.2 IC1CNC1 MC444286 [1,0,0,1,0,0|2,0,0]=4 304 B5R1.2 IC1COC1 MC10503 [1,0,0,1,0,0|1,0,0]=3 305 B5R1.2 NC1COC1 CS22388 [1,0,0,1,0,0|1,0,0]=3 306 B5R1.2 NC1COC1 MC425332 [1,0,0,1,0,0|1,0,0]=3 307 B5R1.2 NC1CSC1 MC102176 [1,0,0,1,0,0|1,1,0]=4 308 B5R1.2 NC1CSC1 MC115657 [1,0,0,1,0,0|1,1,0]=4 309 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|0,0,2]=4 310 B5R1.2 OC1CCC1 CS11176 [1,0,0,1,0,0|1,0,0]=3 311 B5R1.2 OC1CNC1 CS14687 [1,0,0,1,0,0|1,0,0]=3 312 B5R1.2 OC1COC1 CS19329 [1,0,0,1,0,0|0,0,0]=2 313 B5R1.2 SC1COC1 MC101966 [1,0,0,1,0,0|0,1,0]=3 314 B5R1.3 BrCC1CC1 MC10481 [1,0,0,1,0,0|2,0,0]=4 315 B5R1.3 C=CC1CO1 MC428261 [1,0,0,1,0,0|1,0,1]=4 316 B5R1.3 CCC1CO1 MC20699 [1,0,0,1,0,0|1,0,0]=3 317 B5R1.3 CCC1CO1 MC428314 [1,0,0,1,0,0|1,0,0]=3 318 B5R1.3 ClCC1CC1 CS19956 [1,0,0,1,0,0|2,0,0]=4 319 B5R1.3 ClCC1CO1 MC20322 [1,0,0,1,0,0|1,0,0]=3 320 B5R1.3 ClCC1CO1 MC41680 [1,0,0,1,0,0|1,0,0]=3 321 B5R1.3 ICC1CO1 MC102795 [1,0,0,1,0,0|1,0,0]=3 322 B5R1.3 NCC1CC1 CS18907 [1,0,0,1,0,0|2,0,0]=4 323 B5R1.3 OCC1CC1 CS19620 [1,0,0,1,0,0|1,0,0]=3 324 B5R1.4 FC1CC1Br MC102831 [1,0,0,1,0,0|2,0,0]=4 325 B5R1.4 NC1CC1F MC102833 [1,0,0,1,0,0|2,0,0]=4 326 B5R1.4 NC1CC1F MC425321 [1,0,0,1,0,0|2,0,0]=4 327 B5R1.5 CC1(C)CO1 MC41673 [1,0,0,1,0,0|1,0,0]=3 328 B5R1.5 CC1(N)CC1 CS15074 [1,0,0,1,0,0|2,0,0]=4 329 B5R1.1 C1CCNC1 MC41708 [1,0,0,1,0,0|2,0,0]=4 330 B5R1.1 C1CNNC1 CS16750 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.1 BrCC1CCCO1 MC106365 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.1 BrCC1OCCO1 CS21401 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.1 C#CC1CCOC1 MC103679 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.1 CNC1CCOC1 MC104966 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.1 CNC1CCOC1 MC105597 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.1 COC1CCNC1 CS12136 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.1 COC1CCNC1 CS12137 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.1 COC1CCNC1 CS22350 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.1 ClCC1OCCO1 MC428002 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.1 N#CC1CCOC1 MC103877 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.1 N#CC1CCOC1 MC103878 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.1 NCC1CCOC1 MC102307 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.1 NCC1CCOC1 MC103862 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.1 NCC1CCOC1 MC115675 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.1 NCC1CCOC1 MC121256 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.1 OCC1CC=CC1 CS20734 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.1 OCC1CCCC1 CS11185 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.1 OCC1CCCN1 CS17003 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.1 OCC1CCCN1 CS22640 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.1 OCC1CCCO1 MC20392 [0,1,0,1,0,0|1,0,0]=3 351 B7R1.1 OCC1CCNC1 CS11284 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.1 OCC1CCNC1 CS16764 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.1 OCC1CCNC1 CS18341 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.1 OCC1CCNC1 MC102405 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.1 OCC1CCNC1 MC115660 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.2 CN1CCC(O)C1 MC20690 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.2 CN1CCC(O)C1 MC444062 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.2 CN1CCC(O)C1 MC444273 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.2 NC1CCC(O)C1 CS12946 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.2 NC1CCC(O)C1 CS14798 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.2 NC1CCC(O)C1 CS15869 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.2 NC1CCC(O)C1 CS16172 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,1,0,0|1,0,1]=4 369 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.3 BrC1CCOCC1 CS18193 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.3 CC1COCCN1 CS14856 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.3 CC1COCCN1 CS20285 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.3 CC1COCCN1 CS22371 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.3 CC1COCCN1 CS22413 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.3 CC1COCCN1 MC20820 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.3 IC1CCOCC1 CS18194 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.3 NC1CCOCC1 CS16997 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.3 NC1CCOCC1 CS18985 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.3 OC1CCCNC1 CS17016 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.3 OC1CCCNC1 CS17020 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.3 OC1CCCNC1 CS22642 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.3 OC1CCCOC1 CS17782 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.3 OC1CCNCC1 CS14900 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.3 OC1CCNCC1 CS22643 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.3 OC1CCOCC1 CS13929 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.3 OC1CCSCC1 CS12012 [0,1,0,1,0,0|1,1,0]=4 387 B7R1.3 SC1CCOCC1 MC107026 [0,1,0,1,0,0|1,1,0]=4 388 B7R1.4 CC1COCC1N MC444024 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.4 NC1CCCC1O CS11147 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.4 NC1CCCC1O CS15594 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.4 NC1CCCC1O CS18884 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.4 NC1CCCC1O CS19404 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.4 NC1COCC1N MC101979 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.4 NC1COCC1N MC101980 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.4 NC1COCC1N MC103863 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.4 NC1COCC1N MC113515 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.4 NC1COCC1N MC444023 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.4 NC1COCC1O MC105386 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.4 NC1COCC1O MC105387 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.4 NC1COCC1O MC431325 [0,1,0,1,0,0|1,0,0]=3 401 B7R1.4 OC1CNCC1O CS20186 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.4 OC1CNCC1O MC103857 [0,1,0,1,0,0|1,0,0]=3 403 B7R1.6 COCC1CCN1 MC103809 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.6 COCC1CCN1 MC103810 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.6 COCC1CNC1 MC444220 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.8 O=C1CCC1CO MC104211 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.8 O=C1CCC1CO MC104212 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.8 O=C1CCC1CO MC104213 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.10 NC1CC(CO)C1 MC101938 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.10 NC1CC(CO)C1 MC101939 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.10 NC1CC(CO)C1 MC103939 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.10 NC1CC(CO)C1 MC104003 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.10 NC1CC(CO)C1 MC104004 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.10 NC1CC(CO)C1 MC112994 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.10 NCC1CC(O)C1 MC101920 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.10 NCC1CC(O)C1 MC101929 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.10 NCC1CC(O)C1 MC103940 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.10 NCC1CC(O)C1 MC113027 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.10 NCC1CC(O)C1 MC115656 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,1,0,0|1,0,1]=4 421 B7R1.21 CCOC1(O)CC1 CS16017 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.25 CC1(CBr)COC1 CS22179 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.25 CC1(CN)COC1 CS22390 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.25 CC1(CO)CCO1 MC102954 [0,1,0,1,0,0|1,0,0]=3 425 B7R1.25 CC1(CO)COC1 CS16968 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.25 CC1(CO)CSC1 MC121099 [0,1,0,1,0,0|1,1,0]=4 427 B7R1.25 CC1(CS)COC1 MC115780 [0,1,0,1,0,0|1,1,0]=4 428 B7R1.25 CCC1(N)COC1 MC102900 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.25 CCC1(O)CNC1 MC444268 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.25 FC1(CBr)COC1 MC113194 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.25 FC1(CI)COC1 MC102471 [0,1,0,1,0,0|2,0,0]=4 432 B7R1.25 NC1(CO)COC1 MC102014 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.25 NCC1(F)COC1 MC102450 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.25 NCC1(O)CCC1 CS12835 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.25 OCC1(F)CNC1 MC103712 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.25 OCC1(F)COC1 MC121269 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.18 CC(O)C1CCC1 CS20672 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.18 O=C(O)C1CCO1 MC115721 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.18 O=C(O)C1COC1 CS22389 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.23 OCC1CC1(F)F MC429452 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.14 CC1(O)CCCC1 CS20768 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.14 CC1(O)CCNC1 MC107172 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.29 OCC1(CO)CC1 MC20742 [0,1,0,1,0,0|1,0,0]=3