0 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(Br)CC(N)=S MC106193 [0,0,0,0,0,0|2,1,0]=3 3 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.2 CC(C)CB(O)O CS22276 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.2 CC(C)PC(C)C MC444830 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.2 CN(C)CC(N)=S CS15155 [0,0,0,0,0,0|2,1,0]=3 14 B6R0.2 NC(=O)CC(N)=O CS11565 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|0,0,2]=3 22 B5R0.1 CC(C)CC=O CS11530 [1,0,0,0,0,0|0,0,0]=1 23 B5R0.1 CC(C)SC#N MC41971 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CC(N)CCO CS14355 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CC(N)CCO CS14356 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 CC(N)CCO CS22096 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 CC(O)CON CS17735 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.1 CCOC(=N)N CS11818 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CN(C)CC=O CS17734 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 CN(C)CCBr CS10949 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CN(C)CCCl CS14471 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CN(C)CCCl CS17225 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CN(C)CCN CS18603 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CN(C)CCO CS11733 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.1 COCC(C)N CS15401 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 COCC(C)O CS20249 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 COCC(C)O CS20309 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 COCC(C)O CS20741 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 COCC(N)=S MC102255 [1,0,0,0,0,0|2,1,0]=4 48 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|0,0,2]=3 51 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.1 N#CCC(N)=O CS18594 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.2 CC(C)CC(N)CO CS14853 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.2 CC(C)CC(N)CO CS19307 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.2 CN(C)CC(O)CO CS15349 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.2 COC(=O)C[N+](=O)[O-] MC41932 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.2 NCC(O)CC(=O)O CS16710 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.9 CC(=O)CC(F)(F)F MC418477 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,1,0,0,0,0|0,0,0]=1 71 B7R0.9 CC(C)(C)OC(N)=O CS11993 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,1,0,0,0,0|0,0,0]=1 73 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,1,0,0,0,0|0,0,0]=1 74 B7R0.9 CC(C)CS(=O)(=O)Cl MC33117 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.9 CC(C)OS(C)(=O)=O MC445527 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.9 CN(C)CC(C)(C)O MC41894 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.9 C[Si](C)(C)CB(O)O MC114491 [0,1,0,0,0,0|1,1,1]=4 81 B7R0.9 O=C(O)CC(F)(F)F MC429455 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,0,0,0,0|0,0,2]=3 83 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,0,0|0,0,0]=1 84 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,0,0|0,0,0]=1 85 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,0,0|0,0,0]=1 86 B7R0.16 CC(C)C(N)B(O)O MC442651 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,0,0|0,0,0]=1 88 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,0,0|0,0,0]=1 89 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,0,0|0,0,0]=1 90 B7R0.16 CC(C)C(N)C(C)C CS17730 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,0,0|0,0,0]=1 95 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,0,0|0,0,0]=1 96 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.16 O=C(O)C(=O)C(Br)Br CS18490 [0,1,0,0,0,0|2,0,1]=4 104 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.2 CC1=NC(C)CO1 MC428186 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|1,0,0]=2 109 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.2 CN1CCC(O)C1 MC20690 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.2 CN1CCC(O)C1 MC444062 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.2 CN1CCC(O)C1 MC444273 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.2 NC1CCC(O)C1 CS12946 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.2 NC1CCC(O)C1 CS14798 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.2 NC1CCC(O)C1 CS15869 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.2 NC1CCC(O)C1 CS16172 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.2 NC1CNC(=O)C1 MC103473 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.2 NC1COC(=O)C1 CS14340 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.2 NC1COC(=O)C1 CS14674 [0,0,0,1,0,0|1,0,0]=2 120 B7R1.2 O=C1CC(O)CN1 CS14706 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.2 O=C1CC(O)CN1 CS16472 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,0|0,0,0]=1 125 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,0|0,0,0]=1 126 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.12 NC(=O)C1CC1F MC102846 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,1,0,0|1,0,0]=2 132 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,1,0,0|1,0,0]=2 134 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,1,0,0|1,0,0]=2 136 B7R1.16 CC1(C)CC(Br)C1 MC115986 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.16 CC1(N)CC(O)C1 MC103486 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.16 CC1(N)CC(O)C1 MC103487 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.16 CC1(O)CC(N)C1 MC103384 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.16 O=C1CC(F)(F)C1 MC102143 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.16 O=S1(=O)CC(Br)C1 MC114298 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.16 O=S1(=O)CC(Cl)C1 MC100035 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.16 O=S1(=O)CC(O)C1 CS17454 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.20 N=C(N)CC1CC1 MC114877 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.20 O=C(O)CC1CC1 MC433946 [0,0,0,1,0,0|0,0,0]=1 146 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,1,0|1,0,1]=3 147 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,1,0|1,0,0]=2 148 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,0,0,1,0|1,0,0]=2 149 B5R0.5 CC(C)C(N)=O CS21696 [0,0,0,0,1,0|1,0,0]=2 150 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,1,0|1,0,0]=2 151 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,1,0|1,0,0]=2 152 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,1,0|1,0,0]=2 153 B5R0.5 CC(N)B(O)O MC442650 [0,0,0,0,1,0|2,0,1]=4 154 B5R0.5 CC(N)B(O)O MC442679 [0,0,0,0,1,0|2,0,1]=4 155 B5R0.5 CC(N)B(O)O MC442687 [0,0,0,0,1,0|2,0,1]=4 156 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,1,0|1,0,0]=2 157 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,1,0|1,0,0]=2 158 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,1,0|1,0,0]=2 159 B5R0.5 CC(N)C(N)=O CS15732 [0,0,0,0,1,0|2,0,0]=3 160 B5R0.5 CC(N)C(N)=O CS22529 [0,0,0,0,1,0|2,0,0]=3 161 B5R0.5 CC(N)C(N)=O MC436152 [0,0,0,0,1,0|2,0,0]=3 162 B5R0.5 CC(N)C(N)=O MC436153 [0,0,0,0,1,0|2,0,0]=3 163 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,1,0|1,0,0]=2 164 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,0,0,1,0|2,0,0]=3 165 B5R0.5 CN(C)C(N)=S MC427479 [0,0,0,0,1,0|2,1,0]=4 166 B5R0.5 O=C(O)C(=O)O CS11387 [0,0,0,0,1,0|2,0,1]=4 167 B5R0.5 O=C(O)C(=O)O MC425345 [0,0,0,0,1,0|2,0,1]=4 168 B5R0.5 O=C(O)C(F)F MC20641 [0,0,0,0,1,0|2,0,0]=3 169 B5R0.5 O=C([O-])C(Cl)Cl MC21032 [0,0,0,0,1,0|2,0,1]=4 170 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,1|0,0,2]=3 171 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,1|1,0,1]=3 172 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,1|1,0,1]=3 173 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,0,1|1,0,0]=2 174 B7R0.6 CC(C)CCC(C)N MC446673 [0,0,0,0,0,1|2,0,1]=4 175 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [0,0,0,0,0,1|1,0,1]=3 176 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,0,0,0,1|1,0,0]=2 177 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,0,1|1,0,0]=2 178 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [0,0,0,0,0,1|3,0,0]=4 179 B4R0.1 C#CC(=O)O MC428031 [2,0,0,0,0,0|0,0,2]=4 180 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,1]=4 183 B4R0.1 CC(C)=NO CS10884 [2,0,0,0,0,0|1,0,1]=4 184 B4R0.1 CC(C)C#N MC41920 [2,0,0,0,0,0|1,0,1]=4 185 B4R0.1 CC(C)NN CS11525 [2,0,0,0,0,0|2,0,0]=4 186 B4R0.1 CC(C)ON CS13668 [2,0,0,0,0,0|2,0,0]=4 187 B4R0.1 CC(C)[Zn]Br MC121350 [2,0,0,0,0,0|2,0,0]=4 188 B4R0.1 CC(Cl)CO CS20251 [2,0,0,0,0,0|1,0,0]=3 189 B4R0.1 CC(Cl)CO MC428270 [2,0,0,0,0,0|1,0,0]=3 190 B4R0.1 CC(N)CN CS20323 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.1 CC(N)CN MC10147 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.1 CC(N)CO CS14182 [2,0,0,0,0,0|1,0,0]=3 193 B4R0.1 CC(N)CO CS19476 [2,0,0,0,0,0|1,0,0]=3 194 B4R0.1 CC(N)CO CS21310 [2,0,0,0,0,0|1,0,0]=3 195 B4R0.1 CC(O)CCl MC20696 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.1 CC(O)CCl MC20697 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.1 CC(O)CN CS14075 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.1 CC(O)CO MC20330 [2,0,0,0,0,0|1,0,0]=3 199 B4R0.1 CCB(O)O CS13979 [2,0,0,0,0,0|1,0,1]=4 200 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|1,0,1]=4 201 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,0]=3 202 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.1 NC(=O)CBr CS21389 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|1,0,0]=3 206 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|1,0,1]=4 207 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 O=C(Cl)CBr MC21000 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|1,0,0]=3 212 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|1,0,0]=3 213 B4R0.1 O=C([O-])CCl MC41872 [2,0,0,0,0,0|1,0,1]=4 214 B4R0.1 OCC(F)F CS20974 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,0]=2 217 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|0,0,1]=3 218 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,0]=3 221 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|1,0,1]=4 222 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,2]=4 223 B6R0.1 C#CC(=O)OCC MC434052 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.1 CCC(C)CCBr MC112369 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.1 CCCC(=O)NN CS22544 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.1 CCCC(C)CBr MC112368 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.1 CCCC(O)CO CS20495 [1,1,0,0,0,0|0,0,2]=4 228 B6R0.1 CCNC(=O)NC MC428152 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.1 CCOC(=O)CBr MC41907 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.1 CCOC(=O)CCl MC41910 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.1 CCOC(=O)CN CS15347 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.1 CCOC(=O)NN CS11383 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.1 CNC(=O)CCN MC112263 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.1 COC(=O)CC#N MC428339 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.1 COC(=O)CCBr CS18993 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.1 COC(=O)CCN CS22266 [1,1,0,0,0,0|1,0,0]=3 239 B6R0.1 COCC(=O)NN CS11580 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.1 C\C=C\C(=O)OC MC41953 [1,1,0,0,0,0|0,0,2]=4 241 B6R0.1 OCCC(O)CO MC42234 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.3 C=CC(N)C(=O)O MC21080 [1,1,0,0,0,0|0,0,2]=4 243 B6R0.3 CC(C)C(C)CO MC113312 [1,1,0,0,0,0|0,0,1]=3 244 B6R0.3 CC(C)C(N)CO CS17224 [1,1,0,0,0,0|0,0,1]=3 245 B6R0.3 CC(C)C(N)CO CS22659 [1,1,0,0,0,0|0,0,1]=3 246 B6R0.3 CC(CN)C(=O)O MC105846 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.3 CC(CN)C(=O)O MC105847 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.3 CC(O)C(N)CO MC438221 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|0,0,1]=3 250 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|0,0,0]=2 251 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|0,0,0]=2 252 B6R0.3 CCC(N)B(O)O MC442680 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.3 CCC(N)B(O)O MC442681 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|0,0,0]=2 255 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|0,0,0]=2 256 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|0,0,0]=2 257 B6R0.3 CCC(N)C(N)=O CS15891 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.3 CCC(N)C(N)=O MC436006 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.3 CNC(C)C(=O)O MC428068 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.3 CNC(C)C(=O)O MC428076 [1,1,0,0,0,0|1,0,0]=3 261 B6R0.3 CNC(C)C(=O)O MC428084 [1,1,0,0,0,0|1,0,0]=3 262 B6R0.3 COC(C)C(=O)O CS14024 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.3 COC(C)C(=O)O MC425243 [1,1,0,0,0,0|1,0,0]=3 264 B6R0.3 NC(=O)C(N)CO MC438160 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.3 NC(CCl)C(=O)O MC436849 [1,1,0,0,0,0|1,0,0]=3 266 B6R0.3 NC(CCl)C(=O)O MC436850 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.3 NC(CCl)C(=O)O MC436851 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.3 NC(CCl)C(=O)O MC436852 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.3 NC(CF)C(=O)O MC437009 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.3 NC(CO)C(=O)O CS14731 [1,1,0,0,0,0|1,0,0]=3 271 B6R0.3 NC(CO)C(=O)O CS18949 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.3 NC(CO)C(=O)O CS19144 [1,1,0,0,0,0|1,0,0]=3 273 B6R0.3 NC(CS)C(=O)O CS19113 [1,1,0,0,0,0|1,0,0]=3 274 B6R0.3 NC(CS)C(=O)O CS19417 [1,1,0,0,0,0|1,0,0]=3 275 B6R0.3 NC(CS)C(=O)O CS19655 [1,1,0,0,0,0|1,0,0]=3 276 B6R0.3 NC(CS)C(=O)O MC428046 [1,1,0,0,0,0|1,0,0]=3 277 B6R0.3 NC(CS)C(=O)O MC436887 [1,1,0,0,0,0|1,0,0]=3 278 B6R0.3 NC(CS)C(=O)O MC436888 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.3 NC(CS)C(=O)O MC439001 [1,1,0,0,0,0|1,0,0]=3 280 B6R0.3 NC(C[SeH])C(=O)O MC435423 [1,1,0,0,0,0|1,0,0]=3 281 B6R0.3 NCC(N)C(=O)O CS14756 [1,1,0,0,0,0|1,0,0]=3 282 B6R0.3 NCC(N)C(=O)O CS19624 [1,1,0,0,0,0|1,0,0]=3 283 B6R0.3 NCC(N)C(=O)O CS19672 [1,1,0,0,0,0|1,0,0]=3 284 B6R0.3 NCC(O)C(=O)O CS20294 [1,1,0,0,0,0|1,0,0]=3 285 B6R0.3 NCC(O)C(=O)O MC437816 [1,1,0,0,0,0|1,0,0]=3 286 B6R0.3 O=C(O)C(Br)CBr CS15215 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.3 O=C(O)C(O)CCl MC10790 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.4 C#CCCC(=O)Cl MC106035 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.4 C#CCCC(=O)O MC428029 [1,1,0,0,0,0|0,0,1]=3 290 B6R0.4 C#CCCC(N)=O MC106194 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.4 C=CCCC(=O)O CS15216 [1,1,0,0,0,0|0,0,1]=3 292 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|1,0,0]=3 293 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|1,0,0]=3 294 B6R0.4 CC(=O)NCCCl MC33011 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.4 CC(C)CCC=O MC428026 [1,1,0,0,0,0|0,0,0]=2 296 B6R0.4 CC(C)CCCO MC428025 [1,1,0,0,0,0|0,0,1]=3 297 B6R0.4 CC(C)NCCN MC20461 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.4 CCCCC(=O)Cl MC40508 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.4 CN(C)\C=C\C=O MC42238 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.4 N#CCCC(=O)O CS22262 [1,1,0,0,0,0|0,0,1]=3 301 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|0,0,0]=2 302 B6R0.4 NCCCC(N)=O MC112262 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.4 O=C(Cl)CCCCl MC40450 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|0,0,0]=2 305 B6R0.5 CC(C)(C)CC=O MC20142 [1,1,0,0,0,0|0,0,0]=2 306 B6R0.5 CC(C)(C)CCO CS21905 [1,1,0,0,0,0|0,0,1]=3 307 B6R0.5 CC(C)(F)CCN MC116087 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.5 CC(C)(O)CCBr CS15788 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.5 CC(C)(O)CON MC427561 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.5 CCCS(=O)(=O)Cl MC20992 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.5 CCCS(=O)(=O)O MC32073 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.5 CCCS(N)(=O)=O MC32075 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.5 CNCP(=O)(O)O MC101885 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.7 CC(=O)C(C)(C)C MC41940 [0,1,0,0,1,0|1,0,0]=3 316 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [0,1,0,0,1,0|1,0,0]=3 317 B6R0.7 CC(C)(Br)C(=O)O CS21332 [0,1,0,0,1,0|0,0,0]=2 318 B6R0.7 CC(C)(C)C(=O)O CS11866 [0,1,0,0,1,0|0,0,0]=2 319 B6R0.7 CC(C)(C)S(N)=O CS13893 [0,1,0,0,1,0|2,0,0]=4 320 B6R0.7 CC(C)(C)S(N)=O CS18738 [0,1,0,0,1,0|2,0,0]=4 321 B6R0.7 CC(C)(C)S(N)=O CS22549 [0,1,0,0,1,0|2,0,0]=4 322 B6R0.7 CC(C)(N)C(=O)O CS15358 [0,1,0,0,1,0|0,0,0]=2 323 B6R0.7 CC(C)S(=O)(=O)Cl MC33026 [0,1,0,0,1,0|1,0,1]=4 324 B6R0.7 CC(C)S(N)(=O)=O CS15962 [0,1,0,0,1,0|1,0,1]=4 325 B6R0.7 O=C(O)C(F)(F)F MC32019 [0,1,0,0,1,0|2,0,0]=4 326 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,1,0,0,0,1|2,0,0]=4 327 B8R0.9 CC(C)NCC(O)CO MC437813 [0,1,0,0,0,1|0,0,2]=4 328 B8R0.9 CC(C)NCC(O)CO MC437814 [0,1,0,0,0,1|0,0,2]=4 329 B8R0.9 CC(C)NCC(O)CO MC445487 [0,1,0,0,0,1|0,0,2]=4 330 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,1|1,0,1]=4 331 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,1,0,0,0,1|1,0,1]=4 332 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,1,0,0,0,1|1,0,1]=4 333 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [0,1,0,0,0,1|1,0,1]=4 334 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,1,0,0,0,1|0,0,2]=4 335 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,0,1|1,0,0]=3 336 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,1,0,0,0,1|1,0,1]=4 337 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,1,0,0,0,1|1,0,1]=4 338 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,1,0,0,0,1|1,0,1]=4 339 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,1|0,0,0]=2 340 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,0,0,0,1|0,0,0]=2 341 B8R0.23 CC(C)CC(N)B(O)O MC442652 [0,1,0,0,0,1|1,0,1]=4 342 B8R0.23 CC(C)CC(N)B(O)O MC442682 [0,1,0,0,0,1|1,0,1]=4 343 B8R0.23 CC(C)CC(N)B(O)O MC442688 [0,1,0,0,0,1|1,0,1]=4 344 B8R0.23 CC(C)CC(N)B(O)O MC442689 [0,1,0,0,0,1|1,0,1]=4 345 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,0,0,0,1|0,0,0]=2 346 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,0,0,0,1|0,0,0]=2 347 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,0,0,0,1|0,0,0]=2 348 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,1,0,0,0,1|1,0,0]=3 349 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,1,0,0,0,1|1,0,0]=3 350 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,1,0,0,0,1|1,0,0]=3 351 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,1,0,0,0,1|1,0,0]=3 352 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,1,0,0,0,1|1,0,0]=3 353 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,0,0,0,1|0,0,0]=2 354 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,0,0,0,1|0,0,0]=2 355 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,0,0,0,1|0,0,0]=2 356 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,1,0,0,0,1|0,0,0]=2 357 B8R0.29 O=C(O)CCC(F)(F)F CS22479 [0,1,0,0,0,1|2,0,0]=4 358 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,2,0,0,0,0|0,0,0]=2 359 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,2,0,0,0,0|0,0,0]=2 360 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,2,0,0,0,0|0,0,0]=2 361 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,2,0,0,0,0|0,0,0]=2 362 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,2,0,0,0,0|0,0,0]=2 363 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,2,0,0,0,0|0,0,0]=2 364 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.2 CNC(=O)C(N)C(C)O MC435234 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.2 COC(=O)C(Br)C(C)C CS11601 [0,2,0,0,0,0|0,0,0]=2 367 B8R0.2 COC(=O)C(N)C(C)C CS13949 [0,2,0,0,0,0|0,0,0]=2 368 B8R0.2 COC(=O)C(N)C(C)C CS22265 [0,2,0,0,0,0|0,0,0]=2 369 B8R0.2 COC(=O)C(N)C(C)C MC438304 [0,2,0,0,0,0|0,0,0]=2 370 B8R0.2 COC(=O)C(N)C(C)C MC439083 [0,2,0,0,0,0|0,0,0]=2 371 B8R0.2 COC(=O)C(N)C(C)O CS15233 [0,2,0,0,0,0|1,0,0]=3 372 B8R0.2 COC(=O)C(N)C(C)O CS17112 [0,2,0,0,0,0|1,0,0]=3 373 B8R0.2 COC(=O)C(N)C(C)O CS17155 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.2 COC(=O)C(N)C(C)O MC438205 [0,2,0,0,0,0|1,0,0]=3 375 B8R0.2 COC(=O)C(N)C(C)O MC438206 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.2 COC(C)C(N)C(=O)O MC439018 [0,2,0,0,0,0|0,0,0]=2 377 B8R0.2 O=C(O)C(O)C(O)CO MC20861 [0,2,0,0,0,0|1,0,0]=3 378 B8R0.2 O=C([O-])C(O)C(O)CO CS13317 [0,2,0,0,0,0|1,0,1]=4 379 B8R0.2 O=C([O-])C(O)C(O)CO MC428259 [0,2,0,0,0,0|1,0,1]=4 380 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,2,0,0,0,0|1,0,0]=3 381 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,2,0,0,0,0|0,0,2]=4 382 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,2,0,0,0,0|1,0,1]=4 383 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,2,0,0,0,0|1,0,1]=4 387 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,2,0,0,0,0|1,0,1]=4 388 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,2,0,0,0,0|1,0,0]=3 389 B8R0.24 CC(C)(C)OC(=O)CN CS15473 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.24 CC(C)(C)OC(=O)CN CS22257 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.24 CC(C)(C)OC(=O)CO CS21767 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.24 CC(C)(C)OC(=O)NN CS22657 [0,2,0,0,0,0|2,0,0]=4 393 B8R0.24 CC(C)(C)OC(=O)NO CS17102 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [0,2,0,0,0,0|0,0,1]=3 395 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [0,2,0,0,0,0|0,0,0]=2 396 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [0,2,0,0,0,0|0,0,0]=2 397 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [0,2,0,0,0,0|0,0,0]=2 398 B8R0.27 CC(C)(F)C(N)C(=O)O MC429244 [0,2,0,0,0,0|0,0,0]=2 399 B8R0.27 CC(C)(S)C(N)C(=O)O MC438067 [0,2,0,0,0,0|0,0,0]=2 400 B8R0.27 NC(C(=O)O)C(F)(F)F MC426112 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.27 NC(C(=O)O)C(F)(F)F MC429270 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.18 CNC(C(=O)O)C(C)C MC437989 [0,2,0,0,0,0|0,0,0]=2 403 B8R0.18 CNC(C(=O)O)C(C)C MC437990 [0,2,0,0,0,0|0,0,0]=2 404 B8R0.18 CNC(C(=O)O)C(C)O MC435508 [0,2,0,0,0,0|1,0,0]=3 405 B8R0.18 CNC(C(=O)O)C(C)O MC437968 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.37 CC(C)C(C)(N)C(=O)O MC437991 [0,2,0,0,0,0|0,0,0]=2 407 B8R0.37 CC(C)C(C)(N)C(=O)O MC437992 [0,2,0,0,0,0|0,0,0]=2 408 B8R0.37 CC(C)C(C)(N)C(=O)O MC437993 [0,2,0,0,0,0|0,0,0]=2 409 B8R0.37 CC(C)C(C)(N)C(N)=O CS14313 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.37 CC(C)C(C)(O)C(=O)O MC100317 [0,2,0,0,0,0|0,0,0]=2 411 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,1,0,0|1,0,1]=4 412 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|1,0,1]=4 414 B6R1.2 IC1CCOC1 MC101926 [1,0,0,1,0,0|1,0,1]=4 415 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,1,0,0|2,0,0]=4 416 B6R1.2 NC1CC=CC1 CS19415 [1,0,0,1,0,0|2,0,0]=4 417 B6R1.2 NC1CCOC1 CS12010 [1,0,0,1,0,0|1,0,1]=4 418 B6R1.2 NC1CCOC1 CS13003 [1,0,0,1,0,0|1,0,1]=4 419 B6R1.2 NC1CCOC1 CS20366 [1,0,0,1,0,0|1,0,1]=4 420 B6R1.2 NC1CCOC1 MC443324 [1,0,0,1,0,0|1,0,1]=4 421 B6R1.2 NC1CCOC1 MC444237 [1,0,0,1,0,0|1,0,1]=4 422 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|1,0,0]=3 423 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|2,0,0]=4 424 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|2,0,0]=4 425 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|2,0,0]=4 426 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,1,0,0|2,0,0]=4 427 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,1,0,0|2,0,0]=4 428 B6R1.2 O=C1NCCS1 CS20525 [1,0,0,1,0,0|1,1,0]=4 429 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|1,0,0]=3 430 B6R1.2 OC1CC=CC1 MC10342 [1,0,0,1,0,0|2,0,0]=4 431 B6R1.2 OC1CCOC1 CS20284 [1,0,0,1,0,0|1,0,1]=4 432 B6R1.2 OC1CCOC1 MC42235 [1,0,0,1,0,0|1,0,1]=4 433 B6R1.2 OC1CCOC1 MC444279 [1,0,0,1,0,0|1,0,1]=4 434 B6R1.3 N#CCC1CC1 MC433947 [1,0,0,1,0,0|1,0,1]=4 435 B6R1.3 NCCC1CC1 MC425320 [1,0,0,1,0,0|1,0,1]=4 436 B6R1.3 NOCC1CC1 MC107884 [1,0,0,1,0,0|2,0,0]=4 437 B6R1.3 O=C=NC1CC1 MC418391 [1,0,0,1,0,0|1,0,1]=4 438 B6R1.3 OCCC1CC1 MC433884 [1,0,0,1,0,0|0,0,1]=3 439 B6R1.5 CC1CC(N)C1 MC105778 [1,0,0,1,0,0|1,0,1]=4 440 B6R1.5 CN1CC(O)C1 MC444271 [1,0,0,1,0,0|1,0,1]=4 441 B6R1.5 CN1CC(O)C1 MC444272 [1,0,0,1,0,0|1,0,1]=4 442 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,1,0,0|1,0,0]=3 443 B6R1.5 NC1CC(O)C1 MC105248 [1,0,0,1,0,0|1,0,1]=4 444 B6R1.5 NC1CC(O)C1 MC105286 [1,0,0,1,0,0|1,0,1]=4 445 B6R1.5 NC1CC(O)C1 MC444231 [1,0,0,1,0,0|1,0,1]=4 446 B6R1.5 NC1CC(O)C1 MC444480 [1,0,0,1,0,0|1,0,1]=4 447 B6R1.5 NC1CC(O)C1 MC444598 [1,0,0,1,0,0|1,0,1]=4 448 B6R1.5 O=C1CC(F)C1 MC104154 [1,0,0,1,0,0|1,0,0]=3 449 B6R1.5 OC1CC(F)C1 MC103711 [1,0,0,1,0,0|1,0,1]=4 450 B6R1.5 OC1CC(F)C1 MC104375 [1,0,0,1,0,0|1,0,1]=4 451 B6R1.5 OC1CC(F)C1 MC104868 [1,0,0,1,0,0|1,0,1]=4 452 B6R1.8 OCC1CC1F MC102847 [1,0,0,1,0,0|1,0,1]=4 453 B6R1.8 OCC1CC1F MC102848 [1,0,0,1,0,0|1,0,1]=4 454 B6R1.8 OCC1CC1F MC102849 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.8 OCC1CC1F MC102850 [1,0,0,1,0,0|1,0,1]=4 456 B6R1.11 N=C(N)C1CC1 CS16535 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.11 NC(=O)C1CC1 CS16456 [1,0,0,1,0,0|1,0,0]=3 458 B6R1.11 NC(=S)C1CC1 MC21067 [1,0,0,1,0,0|1,1,0]=4 459 B6R1.11 O=C(Cl)C1CC1 MC434039 [1,0,0,1,0,0|1,0,0]=3 460 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|0,0,0]=2 461 B6R1.11 O=C([O-])C1CO1 CS17514 [1,0,0,1,0,0|1,0,1]=4 462 B6R1.11 OB(O)C1CC1 MC20194 [1,0,0,1,0,0|1,0,1]=4 463 B6R1.4 CC1COC1=O MC121237 [0,0,0,1,1,0|0,0,0]=2 464 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,0,0,1,0,1|2,0,0]=4 465 B8R1.3 CC1COC(C)CN1 MC107001 [0,0,0,1,0,1|1,0,1]=4 466 B8R1.3 CC1COC(C)CN1 MC107002 [0,0,0,1,0,1|1,0,1]=4 467 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,0,1|2,0,0]=4 468 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,1,0,1|2,0,0]=4 469 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,1,0,1|2,0,0]=4 470 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,1,0,1|2,0,0]=4 471 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,1,0,1|2,0,0]=4 472 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,0,0,1,0,1|0,0,2]=4 473 B8R1.23 CC(C)N1CC(O)C1 MC444113 [0,0,0,1,0,1|1,0,1]=4 474 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,1,0,1|0,0,0]=2 475 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,1,0,1|0,0,0]=2 476 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,1,0,1|0,0,0]=2 477 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,1,0,1|1,0,0]=3 478 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,0,1,0,1|1,0,0]=3 479 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,0,1,0,1|1,0,0]=3 480 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,0,1,0,1|1,0,0]=3 481 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,0,1,0,1|1,0,0]=3 482 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,0,1,0,1|1,0,0]=3 483 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,0,1,0,1|1,0,0]=3 484 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,0,1,0,1|1,0,0]=3 485 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,0,1,0,1|1,0,0]=3 486 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,0,1,0,1|1,0,0]=3 487 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,0,1,0,1|1,0,0]=3 488 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,0,0,1,0,1|1,0,1]=4 489 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,1,0,1|1,0,1]=4 490 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,1|0,0,0]=2 491 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,0,0,1,0,1|1,0,0]=3 492 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [0,0,0,1,0,1|1,0,0]=3 493 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,0,1|0,0,0]=2 494 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,0,0,1,0,1|1,0,0]=3 495 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [0,0,0,1,0,1|2,0,0]=4 496 B8R1.77 O=C(O)C1CC1(F)F MC429774 [0,0,0,1,0,1|2,0,0]=4 497 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.1 NCC1COC(=O)N1 MC104254 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,1,0,1,0,0|0,0,0]=2 503 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,1,0,1,0,0|1,0,1]=4 524 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,1,0,1,0,0|0,0,2]=4 525 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|0,0,1]=3 526 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.18 CN1CC(N)CC1=O MC104828 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.18 CN1CC(O)CC1=O MC111393 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.31 NC1CCC1C(=O)O MC104253 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.31 NC1CCC1C(=O)O MC104335 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.31 NC1CCC1C(=O)O MC104421 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.31 NC1CCC1C(=O)O MC105420 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.34 CC(=O)SC1CNC1 MC103969 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,1,0,1,0,0|0,0,0]=2 536 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,1,0,1,0,0|0,0,0]=2 537 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,1,0,1,0,0|0,0,0]=2 538 B8R1.34 O=C(O)CC1COC1 MC444158 [0,1,0,1,0,0|0,0,0]=2 539 B8R1.34 O=[N+]([O-])CC1COC1 MC113199 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.53 CC1(C)CC(CBr)O1 MC115755 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.53 CC1(C)CC(CI)O1 MC102911 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.53 CC1(C)CC(CN)O1 MC115768 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.53 CC1(C)CC(CO)O1 MC115663 [0,1,0,1,0,0|0,0,2]=4 544 B8R1.53 CC1(O)CC(CN)C1 MC103743 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.53 CC1(O)CC(CN)C1 MC104882 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.83 COC(=O)C1CC1Br MC430638 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.30 CC1(C(=O)O)CC1F MC102835 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.30 CC1(C(=O)O)CC1F MC102836 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.54 CC(B(O)O)C1CC1 MC429830 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|0,0,1]=3 552 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [0,1,0,1,0,0|0,0,2]=4 553 B8R2.66 O=C(O)C12CC1C2 MC104145 [0,0,0,2,0,0|0,0,0]=2 554 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,0,0,0,2|1,0,0]=3 555 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,0,0,0,2|1,0,0]=3 556 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,0,0,0,2|1,0,0]=3 557 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,0,0,0,2|1,0,0]=3