0 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 CC(C)C(N)=O CS21696 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 CC(N)C(N)=O CS15732 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.5 CC(N)C(N)=O CS22529 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.5 CC(N)C(N)=O MC436152 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.5 CC(N)C(N)=O MC436153 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 CN(C)C(N)=S MC427479 [0,0,0,0,0,0|3,1,0]=4 17 B5R0.5 NC(=O)C(N)=O MC20822 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.5 O=C(O)C(=O)O CS11387 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.5 O=C(O)C(=O)O MC425345 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.5 O=C(O)C(F)F MC20641 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.5 O=C([O-])C(Cl)Cl MC21032 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 C#CC(=O)O MC428031 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 C=CC(N)=O MC41857 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.1 CC(=O)NN CS10881 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CC(=O)NO CS14961 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|0,0,3]=4 32 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CNC(N)=O MC10792 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CNC(N)=S CS11797 [1,0,0,0,0,0|2,1,0]=4 35 B4R0.1 COC(N)=O CS11667 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 COC(N)=[NH2+] CS11820 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 CSC(=N)N MC41956 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 C\C(N)=N\O CS10879 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.1 NC(=O)CBr CS21389 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 NCC(=O)O CS19951 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 NCC(=O)[O-] CS10910 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 NCC(=O)[O-] MC20522 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 NCC(N)=O CS13806 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 NCC(N)=O MC437712 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 NNC(N)=O CS11949 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 O=C(Cl)CBr MC21000 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 O=C(O)CCl MC41871 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 O=C([O-])CCl MC41872 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.3 CC(CN)C(=O)O MC105846 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.3 CC(CN)C(=O)O MC105847 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.3 CCC(=O)C(=O)O CS21626 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.3 CCC(Br)C(=O)O MC426015 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.3 CCC(N)C(=O)O CS13661 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.3 CCC(N)C(=O)O CS14054 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.3 CCC(N)C(=O)O CS14084 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 CCC(N)C(N)=O CS15891 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 CCC(N)C(N)=O MC436006 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 CN(C)C(=O)CBr CS14025 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.3 CN(C)C(=O)CN CS21306 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.3 CN(C)C(=O)CN MC116188 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.3 CN(C)C(=O)CN MC437713 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.3 CNC(=O)C(C)N MC436151 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.3 CNC(C)C(=O)O MC428068 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 CNC(C)C(=O)O MC428076 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 CNC(C)C(=O)O MC428084 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 COC(=O)C(C)Br CS14958 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.3 COC(=O)C(C)C MC41931 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.3 COC(=O)C(C)Cl CS15798 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.3 COC(=O)C(C)N CS14901 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.3 COC(=O)C(C)N CS16663 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.3 COC(=O)C(C)N CS22242 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.3 COC(=O)C(C)O MC20343 [0,1,0,0,0,0|0,0,2]=3 76 B6R0.3 COC(=O)C(F)F MC32025 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 COC(=O)C(N)=S MC430693 [0,1,0,0,0,0|1,1,0]=3 78 B6R0.3 COC(C)C(=O)O CS14024 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.3 COC(C)C(=O)O MC425243 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.3 CON(C)C(C)=O CS11789 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.3 FC(F)=C(F)CBr MC106285 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.3 NC(=O)C(N)CO MC438160 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 NC(CCl)C(=O)O MC436849 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 NC(CCl)C(=O)O MC436850 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 NC(CCl)C(=O)O MC436851 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 NC(CCl)C(=O)O MC436852 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 NC(CF)C(=O)O MC437009 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 NC(CO)C(=O)O CS14731 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 NC(CO)C(=O)O CS18949 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 NC(CO)C(=O)O CS19144 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 NC(CS)C(=O)O CS19113 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 NC(CS)C(=O)O CS19417 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 NC(CS)C(=O)O CS19655 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 NC(CS)C(=O)O MC428046 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 NC(CS)C(=O)O MC436887 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 NC(CS)C(=O)O MC436888 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 NC(CS)C(=O)O MC439001 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 NC(C[SeH])C(=O)O MC435423 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 NCC(N)C(=O)O CS14756 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 NCC(N)C(=O)O CS19624 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 NCC(N)C(=O)O CS19672 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 NCC(O)C(=O)O CS20294 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.3 NCC(O)C(=O)O MC437816 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.3 O=C(O)C(Br)CBr CS15215 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 O=C(O)C(O)CCl MC10790 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.3 O=C([O-])C(=O)CBr MC34359 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.3 OCC(F)=C(F)F MC106204 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.7 CC(=O)C(C)(C)C MC41940 [0,1,0,0,0,0|1,0,1]=3 109 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.7 CC(C)(Br)C(=O)O CS21332 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.7 CC(C)(C)C(=O)O CS11866 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.7 CC(C)(N)C(=O)O CS15358 [0,1,0,0,0,0|2,0,1]=4 113 B6R1.4 CC1COC1=O MC121237 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.11 NC(=O)C1CC1 CS16456 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.11 O=C(Cl)C1CC1 MC434039 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.11 O=C(O)C1CC1 CS13839 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.11 O=C([O-])C1CO1 CS17514 [0,0,0,1,0,0|1,0,2]=4 118 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,0,1|1,0,0]=2 119 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,0,1|2,0,1]=4 120 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,0,1|2,0,0]=3 121 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,0,1|2,0,1]=4 122 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,0,1|2,0,1]=4 123 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,0,1|2,0,1]=4 124 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,0,1|1,0,2]=4 125 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,0,1|1,0,2]=4 126 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,0,1|1,0,2]=4 127 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,0,1|3,0,0]=4 128 B6R0.2 NC(=O)CC(N)=O CS11565 [0,0,0,0,0,1|2,0,0]=3 129 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [0,0,0,0,0,1|3,0,0]=4 130 B6R0.2 NC(=O)NC(N)=O CS11485 [0,0,0,0,0,1|2,0,0]=3 131 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,0,1|2,0,0]=3 132 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,0,1|2,0,0]=3 133 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|2,0,0]=4 134 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|0,0,0]=2 135 B3R0.1 Cl\C=C\Cl MC41969 [2,0,0,0,0,0|2,0,0]=4 136 B3R0.2 C=C(C)Br MC440274 [2,0,0,0,0,0|1,0,0]=3 137 B3R0.2 CC(=O)Cl MC40433 [2,0,0,0,0,0|1,0,0]=3 138 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|0,0,1]=3 139 B3R0.2 CC(=O)[O-] CS11168 [2,0,0,0,0,0|0,0,1]=3 140 B3R0.2 CC(=O)[O-] CS11832 [2,0,0,0,0,0|0,0,1]=3 141 B3R0.2 CC(=O)[O-] MC41921 [2,0,0,0,0,0|0,0,1]=3 142 B3R0.2 CC(C)Br MC41864 [2,0,0,0,0,0|1,0,1]=4 143 B3R0.2 CC(N)=O MC40849 [2,0,0,0,0,0|1,0,0]=3 144 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|0,1,1]=4 145 B3R0.2 CS(=O)[O-] MC434050 [2,0,0,0,0,0|1,0,1]=4 146 B3R0.2 C[N+](=O)[O-] MC41935 [2,0,0,0,0,0|1,0,1]=4 147 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|1,0,0]=3 148 B3R0.2 O=C([O-])[O-] CS11119 [2,0,0,0,0,0|1,0,1]=4 149 B5R0.1 C=C(C)CCBr CS14513 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.1 CC#CC(=O)O MC20776 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.1 CC(=O)\C=N\O CS11520 [1,1,0,0,0,0|0,0,1]=3 152 B5R0.1 CC(=O)\C=N\O CS18968 [1,1,0,0,0,0|0,0,1]=3 153 B5R0.1 CC(C)=CCBr MC41900 [1,1,0,0,0,0|1,0,0]=3 154 B5R0.1 CC(C)CC=O CS11530 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 CCCC(C)=O CS21731 [1,1,0,0,0,0|0,0,1]=3 156 B5R0.1 CN(C)CC=O CS17734 [1,1,0,0,0,0|2,0,0]=4 157 B5R0.1 CNCC(=O)O CS18595 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.1 CNCC(N)=O MC438151 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.1 COCC(=O)Cl MC40491 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.1 COCC(=O)O CS11579 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.1 COCC(N)=O MC41924 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.1 CSCC(=O)Cl MC106201 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.1 CSCC(N)=O CS12608 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 C\C=C\C(=O)O MC41882 [1,1,0,0,0,0|1,0,0]=3 165 B5R0.1 NCCC(=O)O CS13499 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.1 NCCC(N)=O MC436150 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 O=C(O)CCO MC20638 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.3 CNC(=O)CCl MC21094 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.3 CNC(=O)CN MC437710 [1,1,0,0,0,0|1,0,0]=3 170 B5R0.3 COC(=O)CN CS15045 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.3 COC(=O)CO CS19433 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.3 COC(=O)CS MC20578 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.3 COC(=O)NN MC20825 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.3 O=C(CO)CO CS11245 [1,1,0,0,0,0|0,0,2]=4 175 B5R0.3 O=CC(=O)CO MC427604 [1,1,0,0,0,0|0,0,0]=2 176 B5R0.3 O=CC(Br)C=O CS18151 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.3 O=CC(O)CO MC107096 [1,1,0,0,0,0|0,0,2]=4 178 B5R0.3 O=CC(O)CO MC20361 [1,1,0,0,0,0|0,0,2]=4 179 B5R0.3 O=CC(O)CO MC20362 [1,1,0,0,0,0|0,0,2]=4 180 B5R0.4 CC(C)(C)C=O MC20070 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.4 CNS(C)(=O)=O CS17859 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.4 COS(C)(=O)=O MC445529 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,1,0,0,0,1|0,0,1]=3 184 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,0,0,0,1|1,0,1]=4 185 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,1|0,0,0]=2 186 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,0,0,0,1|0,0,0]=2 187 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,1|1,0,0]=3 188 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,1,0,0,0,1|1,0,0]=3 189 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,1|0,0,0]=2 190 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,1|0,0,2]=4 191 B7R0.2 COC(=O)C[N+](=O)[O-] MC41932 [0,1,0,0,0,1|2,0,0]=4 192 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,1,0,0,0,1|1,0,0]=3 193 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [0,1,0,0,0,1|2,0,0]=4 194 B7R0.16 NC(=O)C(N)C(N)=O CS14640 [0,1,0,0,0,1|2,0,0]=4 195 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,2,0,0,0,0|1,0,1]=4 196 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.5 CCOC(=O)C(C)F MC439605 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.5 CCOC(=O)C(C)N CS15404 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.5 CCOC(=O)C(C)N MC436160 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.5 CCOC(=O)C(C)O CS20075 [0,2,0,0,0,0|0,0,2]=4 201 B7R0.5 CCOC(=O)C(N)=S CS11392 [0,2,0,0,0,0|1,1,0]=4 202 B7R0.5 CNCC(=O)N(C)C MC438152 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.10 C=C(CBr)C(=O)OC CS11592 [0,2,0,0,0,0|1,0,0]=3 204 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,2,0,0,0,0|1,0,0]=3 205 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,2,0,0,0,0|1,0,1]=4 206 B7R0.10 CCC(N)C(=O)OC MC436010 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.10 CNC(C)C(=O)OC MC437898 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,2,0,0,0,0|0,0,0]=2 209 B7R0.10 COC(=O)C(C)CBr MC428281 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.10 COC(=O)C(F)CO CS17081 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.10 COC(=O)C(N)CCl CS22615 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.10 COC(=O)C(N)CCl MC418493 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.10 COC(=O)C(N)CCl MC436854 [0,2,0,0,0,0|1,0,1]=4 214 B7R0.10 COC(=O)C(N)CO CS16778 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.10 COC(=O)C(N)CO CS16785 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.10 COC(=O)C(N)CO CS22621 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.10 COC(=O)C(N)CS CS13863 [0,2,0,0,0,0|1,0,1]=4 218 B7R0.10 COC(=O)C(N)CS MC110561 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.10 COC(=O)C(O)CO MC429048 [0,2,0,0,0,0|0,0,2]=4 220 B7R0.10 CON(C)C(=O)CCl MC33020 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.14 COC(=O)C(C)(C)F CS11604 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.14 COC(=O)C(C)(C)N CS17071 [0,2,0,0,0,0|1,0,1]=4 223 B7R0.15 CCC(CC)C(C)=O MC425625 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.15 COC(OC)C(C)=O MC20526 [0,2,0,0,0,0|0,0,2]=4 225 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|0,0,1]=3 226 B5R1.2 O=C1CCN1 MC31231 [1,0,0,1,0,0|1,0,0]=3 227 B5R1.2 O=C1CNC1 MC444241 [1,0,0,1,0,0|1,0,1]=4 228 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|0,0,2]=4 229 B5R1.2 O=C1CSC1 CS13345 [1,0,0,1,0,0|0,1,1]=4 230 B5R1.3 O=CC1CC1 MC428327 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,1|1,0,0]=3 232 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,1,0,1|0,0,1]=3 233 B7R1.2 CC1=CC(=O)NN1 CS22601 [0,0,0,1,0,1|2,0,0]=4 234 B7R1.2 CC1=CC(C)=NN1 CS19982 [0,0,0,1,0,1|2,0,0]=4 235 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,0,0,1,0,1|1,0,1]=4 236 B7R1.2 CC1=CC=C(C)N1 CS21153 [0,0,0,1,0,1|2,0,0]=4 237 B7R1.2 CC1=CN=C(C)S1 CS22782 [0,0,0,1,0,1|2,0,0]=4 238 B7R1.2 CC1=CNC(C)=N1 CS21117 [0,0,0,1,0,1|2,0,0]=4 239 B7R1.2 CC1=CSC(C)=N1 CS22781 [0,0,0,1,0,1|1,1,0]=4 240 B7R1.2 CC1=NN=C(C)O1 CS15161 [0,0,0,1,0,1|2,0,0]=4 241 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,1,0,1|2,0,0]=4 242 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,0,0,1,0,1|2,0,0]=4 243 B7R1.2 CC1=NNC(=O)S1 MC107311 [0,0,0,1,0,1|2,0,0]=4 244 B7R1.2 CC1=NNC(C)=N1 MC444208 [0,0,0,1,0,1|2,0,0]=4 245 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,0,0,1,0,1|2,0,0]=4 246 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,1|2,0,0]=4 247 B7R1.2 NC1=NCC(=O)N1 MC102809 [0,0,0,1,0,1|2,0,0]=4 248 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,0,0,1,0,1|2,0,0]=4 249 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,0,0,1,0,1|2,0,0]=4 250 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,1,0,1|0,0,0]=2 251 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,1|1,0,1]=4 252 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,1,0,1|1,0,0]=3 253 B7R1.2 O=C1CNC(=S)N1 MC427395 [0,0,0,1,0,1|1,1,0]=4 254 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,0,0,1,0,1|1,0,0]=3 255 B7R1.2 O=C1NOC(=O)N1 MC115169 [0,0,0,1,0,1|2,0,0]=4 256 B7R1.4 CC1=C(C)NC=N1 MC20435 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.4 CC1=C(C)SC=N1 CS22784 [0,1,0,1,0,0|1,1,0]=4 258 B7R1.4 CC1=CNN=C1C CS13346 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,1,0,0|0,0,2]=4 260 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.4 CN1N=CCC1=O CS15601 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,1,0,0|1,0,1]=4 264 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.4 NN1CCOC1=O MC102926 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,1,0,0|0,0,1]=3 269 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,1,0,0|1,0,1]=4 270 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,1,0,0|0,0,2]=4 271 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,1,0,0|0,0,2]=4 272 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,1,0,0|0,0,2]=4 273 B7R1.8 O=C1CCC1CO MC104211 [0,1,0,1,0,0|0,0,2]=4 274 B7R1.8 O=C1CCC1CO MC104212 [0,1,0,1,0,0|0,0,2]=4 275 B7R1.8 O=C1CCC1CO MC104213 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.22 COC(=O)C1CC1 MC41839 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,1,0,1,0,0|1,0,1]=4 278 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,2|2,0,0]=4 279 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,2|1,0,0]=3 280 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,2|1,0,0]=3 281 B7R0.6 O=C(O)C#CC(=O)O MC20681 [0,0,0,0,0,2|2,0,0]=4 282 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,0,0,0,0,2|2,0,0]=4