0 B6R0.3 C=CC(N)C(=O)O MC21080 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.3 CC(C)C(C)CO MC113312 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)C(N)CO CS17224 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CC(C)C(N)CO CS22659 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC(CN)C(=O)O MC105846 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 CC(CN)C(=O)O MC105847 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 CC(O)C(N)CO MC438221 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.3 CCC(=O)C(=O)O CS21626 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 CCC(Br)C(=O)O MC426015 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CCC(N)B(O)O MC442680 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 CCC(N)B(O)O MC442681 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 CCC(N)C(=O)O CS13661 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 CCC(N)C(=O)O CS14054 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.3 CCC(N)C(=O)O CS14084 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 CCC(N)C(N)=O CS15891 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 CCC(N)C(N)=O MC436006 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 CNC(C)C(=O)O MC428068 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 CNC(C)C(=O)O MC428076 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 CNC(C)C(=O)O MC428084 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 COC(C)C(=O)O CS14024 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 COC(C)C(=O)O MC425243 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.3 N#CC(N)C(N)=O MC111521 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.3 NC(=O)C(N)CO MC438160 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.3 NC(CCl)C(=O)O MC436849 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.3 NC(CCl)C(=O)O MC436850 [0,0,0,0,0,0|1,0,0]=1 26 B6R0.3 NC(CCl)C(=O)O MC436851 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.3 NC(CCl)C(=O)O MC436852 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.3 NC(CF)C(=O)O MC437009 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.3 NC(CO)C(=O)O CS14731 [0,0,0,0,0,0|0,0,0]=0 30 B6R0.3 NC(CO)C(=O)O CS18949 [0,0,0,0,0,0|0,0,0]=0 31 B6R0.3 NC(CO)C(=O)O CS19144 [0,0,0,0,0,0|0,0,0]=0 32 B6R0.3 NC(CS)C(=O)O CS19113 [0,0,0,0,0,0|0,1,0]=1 33 B6R0.3 NC(CS)C(=O)O CS19417 [0,0,0,0,0,0|0,1,0]=1 34 B6R0.3 NC(CS)C(=O)O CS19655 [0,0,0,0,0,0|0,1,0]=1 35 B6R0.3 NC(CS)C(=O)O MC428046 [0,0,0,0,0,0|0,1,0]=1 36 B6R0.3 NC(CS)C(=O)O MC436887 [0,0,0,0,0,0|0,1,0]=1 37 B6R0.3 NC(CS)C(=O)O MC436888 [0,0,0,0,0,0|0,1,0]=1 38 B6R0.3 NC(CS)C(=O)O MC439001 [0,0,0,0,0,0|0,1,0]=1 39 B6R0.3 NC(C[SeH])C(=O)O MC435423 [0,0,0,0,0,0|0,1,0]=1 40 B6R0.3 NCC(N)C(=O)O CS14756 [0,0,0,0,0,0|1,0,0]=1 41 B6R0.3 NCC(N)C(=O)O CS19624 [0,0,0,0,0,0|1,0,0]=1 42 B6R0.3 NCC(N)C(=O)O CS19672 [0,0,0,0,0,0|1,0,0]=1 43 B6R0.3 NCC(O)C(=O)O CS20294 [0,0,0,0,0,0|2,0,0]=2 44 B6R0.3 NCC(O)C(=O)O MC437816 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.3 O=C(O)C(Br)CBr CS15215 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.3 O=C(O)C(O)CCl MC10790 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.3 O=C([O-])C(=O)CBr MC34359 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.3 OCC(F)=C(F)F MC106204 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CC(N)CCO CS14355 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(N)CCO CS14356 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CC(N)CCO CS22096 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 CN(C)CCO CS11733 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.1 N#CCC(N)=O CS18594 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|0,0,0]=1 73 B5R0.3 C=C(CO)CO CS21689 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.3 CCC(N)CO CS15119 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.3 CCC(N)CO MC10528 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.3 CCC(N)CO MC20718 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.3 CCC(N)CO MC436159 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.3 CCC(O)CO CS15622 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.3 COC(C)CO CS12306 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.3 NC(CO)CO CS18352 [1,0,0,0,0,0|0,0,1]=2 81 B5R0.3 NCC(O)CO CS14832 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.3 NCC(O)CO CS18397 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 NCC(O)CO MC20311 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 O=C(CO)CO CS11245 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.3 O=CC(=O)CO MC427604 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.3 O=CC(Br)C=O CS18151 [1,0,0,0,0,0|1,0,2]=4 87 B5R0.3 O=CC(O)CO MC107096 [1,0,0,0,0,0|1,0,0]=2 88 B5R0.3 O=CC(O)CO MC20361 [1,0,0,0,0,0|1,0,0]=2 89 B5R0.3 O=CC(O)CO MC20362 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.3 OCC(O)CCl CS15061 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.3 OCC(O)CCl MC20314 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.5 CC(=O)C(=O)O MC41939 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.5 CC(Br)C(=O)O MC20444 [1,0,0,0,0,0|1,0,0]=2 94 B5R0.5 CC(C)C(=O)Cl MC40490 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.5 CC(C)C(N)=O CS21696 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.5 CC(Cl)C(=O)O MC20315 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.5 CC(Cl)C(=O)O MC436860 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.5 CC(F)C(=O)O MC429445 [1,0,0,0,0,0|1,0,0]=2 99 B5R0.5 CC(N)B(O)O MC442650 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.5 CC(N)B(O)O MC442679 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.5 CC(N)B(O)O MC442687 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.5 CC(N)C(=O)O CS18992 [1,0,0,0,0,0|0,0,0]=1 103 B5R0.5 CC(N)C(=O)O CS19143 [1,0,0,0,0,0|0,0,0]=1 104 B5R0.5 CC(N)C(=O)O MC428047 [1,0,0,0,0,0|0,0,0]=1 105 B5R0.5 CC(N)C(N)=O CS15732 [1,0,0,0,0,0|1,0,0]=2 106 B5R0.5 CC(N)C(N)=O CS22529 [1,0,0,0,0,0|1,0,0]=2 107 B5R0.5 CC(N)C(N)=O MC436152 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.5 CC(N)C(N)=O MC436153 [1,0,0,0,0,0|1,0,0]=2 109 B5R0.5 CC(O)C(=O)O MC437817 [1,0,0,0,0,0|1,0,0]=2 110 B5R0.5 CN(C)C(=O)Cl MC428263 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.5 NC(=O)C(N)=O MC20822 [1,0,0,0,0,0|1,0,2]=4 112 B5R0.5 O=C(O)C(=O)O CS11387 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.5 O=C(O)C(=O)O MC425345 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.5 O=C(O)C(F)F MC20641 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.5 O=C([O-])C(Cl)Cl MC21032 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.5 C#CCC(N)C(=O)O CS13900 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.5 C#CCC(N)C(=O)O MC21037 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.5 C#CCC(N)C(=O)O MC438112 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.5 CCCC(N)C(=O)O CS10518 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.5 CCCC(N)C(=O)O CS17028 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.5 CCCC(N)C(=O)O MC439125 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.5 CCCC(N)C(N)=O MC438024 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.5 COCC(N)C(=O)O CS12183 [0,1,0,0,0,0|0,0,0]=1 125 B7R0.5 COCC(N)C(=O)O CS16755 [0,1,0,0,0,0|0,0,0]=1 126 B7R0.5 COCC(N)C(=O)O CS20335 [0,1,0,0,0,0|0,0,0]=1 127 B7R0.5 CSCC(N)C(=O)O MC439293 [0,1,0,0,0,0|0,1,0]=2 128 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,1,0,0,0,0|0,1,0]=2 129 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,1,0,0,0,0|0,1,0]=2 130 B7R0.5 N#CCC(N)C(=O)O MC436869 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.5 NC(CCO)C(=O)O CS13886 [0,1,0,0,0,0|0,0,0]=1 132 B7R0.5 NC(CCO)C(=O)O CS16701 [0,1,0,0,0,0|0,0,0]=1 133 B7R0.5 NC(CCO)C(=O)O CS22620 [0,1,0,0,0,0|0,0,0]=1 134 B7R0.5 NCCC(N)C(=O)O CS13874 [0,1,0,0,0,0|1,0,0]=2 135 B7R0.5 NCCC(N)C(=O)O CS15080 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.5 NCCC(N)C(=O)O MC436921 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.5 NCCC(N)C(=O)O MC439091 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.5 NCCC(N)C(=O)O MC439321 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.5 NCCC(O)C(=O)O CS15496 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.5 NCCC(O)C(=O)O CS21759 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.10 C=C(CBr)C(=O)OC CS11592 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,1,0,0,0,0|1,0,1]=3 143 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.10 CCC(C)C(N)CO CS18903 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.10 CCC(C)C(N)CO MC437812 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.10 CCC(N)C(=O)OC MC436010 [0,1,0,0,0,0|1,0,0]=2 147 B7R0.10 CNC(C)C(=O)OC MC437898 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.10 COC(=O)C(C)CBr MC428281 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.10 COC(=O)C(F)CO CS17081 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.10 COC(=O)C(N)CCl CS22615 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.10 COC(=O)C(N)CCl MC418493 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.10 COC(=O)C(N)CCl MC436854 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.10 COC(=O)C(N)CO CS16778 [0,1,0,0,0,0|0,0,0]=1 155 B7R0.10 COC(=O)C(N)CO CS16785 [0,1,0,0,0,0|0,0,0]=1 156 B7R0.10 COC(=O)C(N)CO CS22621 [0,1,0,0,0,0|0,0,0]=1 157 B7R0.10 COC(=O)C(N)CS CS13863 [0,1,0,0,0,0|0,1,0]=2 158 B7R0.10 COC(=O)C(N)CS MC110561 [0,1,0,0,0,0|0,1,0]=2 159 B7R0.10 COC(=O)C(O)CO MC429048 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.10 NC(CCl)C(=O)NO MC436853 [0,1,0,0,0,0|1,0,0]=2 161 B7R0.13 CC(C)(CN)C(N)=O CS22038 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.13 CC(C)(CO)C(=O)O CS19743 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.13 CC(N)(CO)C(=O)O MC437944 [0,1,0,0,0,0|0,0,0]=1 164 B7R0.13 CC(N)(CO)C(=O)O MC437946 [0,1,0,0,0,0|0,0,0]=1 165 B7R0.13 CC(N)(CS)C(=O)O MC445186 [0,1,0,0,0,0|0,1,0]=2 166 B7R0.13 CC(O)(CBr)C(=O)O CS14051 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.13 CCC(C)(N)C(=O)O CS16944 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.13 CNC(C)(C)C(=O)O MC437895 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.13 O=C(O)C(F)(F)CBr MC429351 [0,1,0,0,0,0|2,0,0]=3 170 B7R0.14 CC(C)(C)C(N)CO MC439423 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.14 CC(C)(C)C(N)CO MC439424 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.14 NC(CO)C(F)(F)F MC430031 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.15 CCC(CC)C(=O)[O-] MC21097 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.15 CCC(CC)C(C)=O MC425625 [0,1,0,0,0,0|3,0,0]=4 175 B7R0.15 CCC(CN)C(=O)O MC105840 [0,1,0,0,0,0|1,0,0]=2 176 B7R0.15 CCC(CN)C(=O)O MC105841 [0,1,0,0,0,0|1,0,0]=2 177 B7R0.15 CNC(CO)C(=O)O MC435500 [0,1,0,0,0,0|0,0,0]=1 178 B7R0.15 CNC(CO)C(=O)O MC437945 [0,1,0,0,0,0|0,0,0]=1 179 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.16 CC(C)C(N)B(O)O MC442651 [0,1,0,0,0,0|2,0,1]=4 183 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,0,0|1,0,0]=2 185 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,0,0|1,0,0]=2 186 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,0,0|2,0,0]=3 190 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,0,0|2,0,0]=3 191 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,0,0|0,0,0]=1 192 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,0,0|0,0,0]=1 193 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,0,0|0,0,0]=1 194 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,0,0|0,0,0]=1 195 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,0,0|0,0,0]=1 196 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.16 NC(=O)C(N)C(N)=O CS14640 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.16 O=C(O)C(=O)C(Br)Br CS18490 [0,1,0,0,0,0|2,0,1]=4 199 B7R1.4 CC1COCC1N MC444024 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.4 NC1CCCC1O CS11147 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.4 NC1CCCC1O CS15594 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.4 NC1CCCC1O CS18884 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.4 NC1CCCC1O CS19404 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.4 NC1CCNC1=O MC107169 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.4 NC1CCNC1=O MC115917 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.4 NC1CCOC1=O CS18578 [0,0,0,1,0,0|1,0,0]=2 207 B7R1.4 NC1CCOC1=O MC439296 [0,0,0,1,0,0|1,0,0]=2 208 B7R1.4 NC1CCSC1=O MC428331 [0,0,0,1,0,0|1,1,0]=3 209 B7R1.4 NC1COCC1N MC101979 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.4 NC1COCC1N MC101980 [0,0,0,1,0,0|2,0,1]=4 211 B7R1.4 NC1COCC1N MC103863 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.4 NC1COCC1N MC113515 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.4 NC1COCC1N MC444023 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.4 NC1COCC1O MC105386 [0,0,0,1,0,0|1,0,1]=3 215 B7R1.4 NC1COCC1O MC105387 [0,0,0,1,0,0|1,0,1]=3 216 B7R1.4 NC1COCC1O MC431325 [0,0,0,1,0,0|1,0,1]=3 217 B7R1.4 NC1CONC1=O CS19264 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.4 NC1CONC1=O CS22528 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.4 NC1CONC1=O MC436879 [0,0,0,1,0,0|1,0,0]=2 220 B7R1.4 NN1CCOC1=O MC102926 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.4 O=C1CCCC1Br MC445112 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.4 O=C1NCCC1O CS19486 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.4 O=C1NCCC1O MC115910 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.4 O=C1NCCC1O MC444274 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.8 O=C1CCC1CO MC104211 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.8 O=C1CCC1CO MC104212 [0,0,0,1,0,0|2,0,0]=3 227 B7R1.8 O=C1CCC1CO MC104213 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,0|3,0,0]=4 231 B7R1.12 NC(=O)C1CC1F MC102846 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,1,0,0|2,0,0]=3 234 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,1,0,0|2,0,0]=3 240 B7R1.18 NC(=O)C1CNC1 MC10515 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.18 NC(=O)C1CNC1 MC10516 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.18 O=C(O)C1CCC1 CS22786 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.18 O=C(O)C1CCN1 CS16493 [0,0,0,1,0,0|1,0,0]=2 244 B7R1.18 O=C(O)C1CCN1 CS16972 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.18 O=C(O)C1CCN1 CS18844 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.18 O=C(O)C1CCN1 MC436280 [0,0,0,1,0,0|1,0,0]=2 247 B7R1.18 O=C(O)C1CCO1 MC115721 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.18 O=C(O)C1CNC1 CS16485 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.18 O=C(O)C1COC1 CS22389 [0,0,0,1,0,0|1,0,0]=2 250 B7R1.18 O=C(O)C1CSC1 MC100118 [0,0,0,1,0,0|1,1,0]=3 251 B7R1.19 CC1(C(N)=O)CC1 MC106205 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.19 NC1(C(=O)O)CC1 CS16477 [0,0,0,1,0,0|1,0,0]=2 253 B7R1.19 O=C(O)C1(Br)CC1 CS15760 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.19 O=C(O)C1(F)CC1 CS13809 [0,0,0,1,0,0|2,0,0]=3 255 B7R0.2 CC(C)CC(N)CO CS14853 [0,0,0,0,0,1|2,0,1]=4 256 B7R0.2 CC(C)CC(N)CO CS19307 [0,0,0,0,0,1|2,0,1]=4 257 B7R0.2 NCC(O)CC(=O)O CS16710 [0,0,0,0,0,1|2,0,0]=3 258 B4R0.1 C#CC(=O)O MC428031 [2,0,0,0,0,0|0,0,2]=4 259 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|2,0,0]=4 260 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,0]=3 261 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,0]=3 262 B4R0.1 CC(=O)NN CS10881 [2,0,0,0,0,0|2,0,0]=4 263 B4R0.1 CC(=O)NO CS14961 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 CC(Cl)CO CS20251 [2,0,0,0,0,0|1,0,1]=4 265 B4R0.1 CC(Cl)CO MC428270 [2,0,0,0,0,0|1,0,1]=4 266 B4R0.1 CC(N)CN CS20323 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.1 CC(N)CN MC10147 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.1 CC(N)CO CS14182 [2,0,0,0,0,0|0,0,1]=3 269 B4R0.1 CC(N)CO CS19476 [2,0,0,0,0,0|0,0,1]=3 270 B4R0.1 CC(N)CO CS21310 [2,0,0,0,0,0|0,0,1]=3 271 B4R0.1 CC(O)CCl MC20696 [2,0,0,0,0,0|2,0,0]=4 272 B4R0.1 CC(O)CCl MC20697 [2,0,0,0,0,0|2,0,0]=4 273 B4R0.1 CC(O)CN CS14075 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.1 CC(O)CO MC20330 [2,0,0,0,0,0|1,0,0]=3 275 B4R0.1 CCB(O)O CS13979 [2,0,0,0,0,0|1,0,1]=4 276 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,0]=3 278 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 C\C(N)=N\O CS10879 [2,0,0,0,0,0|1,0,1]=4 281 B4R0.1 NC(=O)CBr CS21389 [2,0,0,0,0,0|1,0,1]=4 282 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|0,0,0]=2 283 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|0,0,1]=3 284 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|0,0,1]=3 285 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|1,0,0]=3 286 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|1,0,0]=3 287 B4R0.1 NCS(=O)[O-] MC105927 [2,0,0,0,0,0|1,0,1]=4 288 B4R0.1 NNC(N)=O CS11949 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.1 O=C(Cl)CBr MC21000 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|1,0,0]=3 291 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|0,0,0]=2 292 B4R0.1 O=C([O-])CCl MC41872 [2,0,0,0,0,0|1,0,1]=4 293 B4R0.1 O=S([O-])CO CS11936 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.1 OCC(F)F CS20974 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|2,0,0]=4 298 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.1 CCCC(=O)NN CS22544 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.1 CNC(=O)CCN MC112263 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.1 COC(=O)CC#N MC428339 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.1 COC(=O)CCBr CS18993 [1,1,0,0,0,0|1,0,0]=3 305 B6R0.1 COC(=O)CCN CS22266 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.1 O=C(CCl)NCO CS14580 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.1 OCCC(O)CO MC42234 [1,1,0,0,0,0|0,0,2]=4 308 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|0,0,0]=2 313 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|0,0,0]=2 314 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,1,0,0,0,0|0,0,1]=3 315 B6R0.2 CN(C)CC(=O)O CS13413 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.2 NC([SeH])CC(=O)O MC435590 [1,1,0,0,0,0|0,1,0]=3 317 B6R0.2 NC([SeH])CC(=O)O MC435591 [1,1,0,0,0,0|0,1,0]=3 318 B6R0.2 O=C(O)CC(=O)O MC41922 [1,1,0,0,0,0|0,0,1]=3 319 B6R0.2 O=C(O)CC(=O)O MC41938 [1,1,0,0,0,0|0,0,1]=3 320 B6R0.4 C#CCCC(=O)Cl MC106035 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.4 C#CCCC(=O)O MC428029 [1,1,0,0,0,0|1,0,0]=3 322 B6R0.4 C#CCCC(N)=O MC106194 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.4 C=CCCC(=O)O CS15216 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.4 CC(=O)NCCCl MC33011 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.4 CCCCC(=O)Cl MC40508 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.4 N#CCCC(=O)O CS22262 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.4 NCCCC(N)=O MC112262 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.4 O=C(Cl)CCCCl MC40450 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.5 CCCS(=O)(=O)O MC32073 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.8 CC(C)(C=O)CO MC21089 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.8 CCC(Br)(Br)C=O MC106928 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.7 CC(=O)C(C)(C)C MC41940 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.7 CC(C)(Br)C(=O)O CS21332 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.7 CC(C)(C)C(=O)O CS11866 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.7 CC(C)(N)C(=O)O CS15358 [1,1,0,0,0,0|0,0,0]=2 341 B6R0.7 O=C(O)C(F)(F)F MC32019 [1,1,0,0,0,0|2,0,0]=4 342 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,1,0,0,0,1|2,0,0]=4 343 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,1,0,0,0,1|2,0,0]=4 344 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,1,0,0,0,1|2,0,0]=4 345 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,1,0,0,0,1|2,0,0]=4 346 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,1,0,0,0,1|2,0,0]=4 347 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,1,0,0,0,1|2,0,0]=4 348 B8R0.2 O=C(O)C(O)C(O)CO MC20861 [0,1,0,0,0,1|1,0,0]=3 349 B8R0.2 O=C([O-])C(O)C(O)CO CS13317 [0,1,0,0,0,1|1,0,1]=4 350 B8R0.2 O=C([O-])C(O)C(O)CO MC428259 [0,1,0,0,0,1|1,0,1]=4 351 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,1,0,0,0,1|2,0,0]=4 352 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,1|2,0,0]=4 353 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,1,0,0,0,1|0,0,2]=4 354 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,1,0,0,0,1|0,0,2]=4 355 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,1,0,0,0,1|1,0,1]=4 356 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,1,0,0,0,1|1,0,1]=4 357 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,1,0,0,0,1|0,0,1]=3 358 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,1,0,0,0,1|0,0,1]=3 359 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,1,0,0,0,1|1,0,1]=4 360 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,1,0,0,0,1|1,0,1]=4 361 B8R0.3 C#CCC(N)C(=O)OC MC438113 [0,2,0,0,0,0|1,0,0]=3 362 B8R0.3 C=C(CO)C(=O)OCC CS20908 [0,2,0,0,0,0|1,0,1]=4 363 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,2,0,0,0,0|1,0,0]=3 364 B8R0.3 CCNC(=O)C(N)CC MC116564 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.3 CCNC(=O)C(N)CC MC116565 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.3 CCOC(=O)C(N)C#N MC425578 [0,2,0,0,0,0|1,0,1]=4 367 B8R0.3 CCOC(=O)C(N)CO CS13449 [0,2,0,0,0,0|0,0,0]=2 368 B8R0.3 CCOC(=O)C(N)CO CS17107 [0,2,0,0,0,0|0,0,0]=2 369 B8R0.3 CCOC(=O)C(N)CO MC439193 [0,2,0,0,0,0|0,0,0]=2 370 B8R0.3 CCOC(=O)C(N)CS CS16176 [0,2,0,0,0,0|0,1,0]=3 371 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,2,0,0,0,0|2,0,0]=4 372 B8R0.3 O=CCC(O)C(O)CO CS21863 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,2,0,0,0,0|1,0,0]=3 375 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,2,0,0,0,0|2,0,0]=4 377 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,2,0,0,0,0|0,1,0]=3 378 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,2,0,0,0,0|0,1,0]=3 379 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,2,0,0,0,0|0,1,0]=3 380 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,2,0,0,0,0|1,1,0]=4 381 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,2,0,0,0,0|1,1,0]=4 382 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,2,0,0,0,0|0,1,0]=3 383 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,2,0,0,0,0|0,1,0]=3 384 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,2,0,0,0,0|1,0,0]=3 386 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,2,0,0,0,0|1,0,0]=3 387 B8R0.8 NOCCC(N)C(=O)O MC100566 [0,2,0,0,0,0|0,0,0]=2 388 B8R0.8 NOCCC(N)C(=O)O MC114097 [0,2,0,0,0,0|0,0,0]=2 389 B8R0.12 C=CCC(C)(C)C(=O)O MC20650 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.12 CC(C)(CCN)C(=O)O MC442790 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.12 COCC(F)(F)C(=O)O MC104134 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,2,0,0,0,0|1,0,0]=3 393 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.13 COC(=O)C(C)(C)CO CS11468 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.20 CNC(CO)C(=O)OC MC435501 [0,2,0,0,0,0|0,0,0]=2 396 B8R0.20 CNC(CO)C(=O)OC MC435502 [0,2,0,0,0,0|0,0,0]=2 397 B8R0.20 COC(=O)C(CN)CN MC115963 [0,2,0,0,0,0|1,0,0]=3 398 B8R0.36 CC(CO)(CO)C(=O)O CS20965 [0,2,0,0,0,0|1,0,0]=3 399 B8R0.36 CCC(C)(CC)C(=O)O MC105694 [0,2,0,0,0,0|2,0,0]=4 400 B8R0.36 CCC(N)(CC)C(=O)O MC439327 [0,2,0,0,0,0|1,0,0]=3 401 B8R0.37 CC(C)C(C)(N)C(=O)O MC437991 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.37 CC(C)C(C)(N)C(=O)O MC437992 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.37 CC(C)C(C)(N)C(=O)O MC437993 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.37 CC(C)C(C)(N)C(N)=O CS14313 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.37 CC(C)C(C)(O)C(=O)O MC100317 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [0,2,0,0,0,0|1,0,0]=3 407 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [0,2,0,0,0,0|1,0,0]=3 408 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.27 CC(C)(F)C(N)C(=O)O MC429244 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.27 CC(C)(S)C(N)C(=O)O MC438067 [0,2,0,0,0,0|0,1,0]=3 411 B8R0.27 NC(C(=O)O)C(F)(F)F MC426112 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.27 NC(C(=O)O)C(F)(F)F MC429270 [0,2,0,0,0,0|1,0,0]=3 413 B8R0.18 CNC(C(=O)O)C(C)C MC437989 [0,2,0,0,0,0|1,0,0]=3 414 B8R0.18 CNC(C(=O)O)C(C)C MC437990 [0,2,0,0,0,0|1,0,0]=3 415 B8R0.18 CNC(C(=O)O)C(C)O MC435508 [0,2,0,0,0,0|0,0,0]=2 416 B8R0.18 CNC(C(=O)O)C(C)O MC437968 [0,2,0,0,0,0|0,0,0]=2 417 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|2,0,0]=4 418 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|2,0,0]=4 419 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|1,0,0]=3 420 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|1,1,0]=4 421 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|2,0,0]=4 422 B6R1.2 OC1CCOC1 CS20284 [1,0,0,1,0,0|1,0,1]=4 423 B6R1.2 OC1CCOC1 MC42235 [1,0,0,1,0,0|1,0,1]=4 424 B6R1.2 OC1CCOC1 MC444279 [1,0,0,1,0,0|1,0,1]=4 425 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,1,0,0|2,0,0]=4 426 B6R1.5 O=C1CC(F)C1 MC104154 [1,0,0,1,0,0|2,0,0]=4 427 B6R1.11 NC(=O)C1CC1 CS16456 [1,0,0,1,0,0|2,0,0]=4 428 B6R1.11 O=C(Cl)C1CC1 MC434039 [1,0,0,1,0,0|2,0,0]=4 429 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|1,0,0]=3 430 B6R1.11 O=C([O-])C1CO1 CS17514 [1,0,0,1,0,0|0,0,1]=3 431 B6R1.4 CC1COC1=O MC121237 [1,0,0,1,0,0|1,0,0]=3 432 B6R1.4 NC1CCC1O MC111877 [1,0,0,1,0,0|1,0,1]=4 433 B6R1.6 OCC1CCN1 CS15230 [1,0,0,1,0,0|1,0,1]=4 434 B6R1.6 OCC1CCN1 MC102029 [1,0,0,1,0,0|1,0,1]=4 435 B6R1.6 OCC1CCN1 MC102030 [1,0,0,1,0,0|1,0,1]=4 436 B6R1.6 OCC1COC1 CS14670 [1,0,0,1,0,0|1,0,1]=4 437 B6R1.7 NC1(CO)CC1 CS13349 [1,0,0,1,0,0|1,0,1]=4 438 B6R1.7 NC1(CO)CC1 MC113084 [1,0,0,1,0,0|1,0,1]=4 439 B8R1.1 NCC1COC(=O)N1 MC104254 [0,0,0,1,0,1|2,0,0]=4 440 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,0,0,1,0,1|2,0,0]=4 441 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,0,0,1,0,1|2,0,0]=4 442 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,0,0,1,0,1|2,0,0]=4 443 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,0,0,1,0,1|2,0,0]=4 444 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,0,0,1,0,1|1,0,0]=3 445 B8R1.1 OCC1CC(O)CN1 CS20184 [0,0,0,1,0,1|1,0,1]=4 446 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,0,0,1,0,1|2,0,0]=4 447 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,0,0,1,0,1|2,0,0]=4 448 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,0,0,1,0,1|1,0,1]=4 449 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,0,0,1,0,1|1,0,1]=4 450 B8R1.31 NC1CCC1C(=O)O MC104253 [0,0,0,1,0,1|1,0,0]=3 451 B8R1.31 NC1CCC1C(=O)O MC104335 [0,0,0,1,0,1|1,0,0]=3 452 B8R1.31 NC1CCC1C(=O)O MC104421 [0,0,0,1,0,1|1,0,0]=3 453 B8R1.31 NC1CCC1C(=O)O MC105420 [0,0,0,1,0,1|1,0,0]=3 454 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,0,0,1,0,1|2,0,0]=4 455 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,0,0,1,0,1|2,0,0]=4 456 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,0,0,1,0,1|2,0,0]=4 457 B8R1.34 O=C(O)CC1COC1 MC444158 [0,0,0,1,0,1|1,0,0]=3 458 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.5 NC1CCOCC1O MC102103 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.5 NC1CCOCC1O MC102104 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.5 NC1CCOCC1O MC102509 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.5 NC1COCCC1O MC427129 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.7 O=C(O)C1C=CCN1 MC436934 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.7 O=C(O)C1C=CCN1 MC436935 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,1,0,1,0,0|0,1,0]=3 483 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,1,0,1,0,0|0,1,0]=3 484 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.7 O=C([O-])C1CSCN1 MC436714 [0,1,0,1,0,0|0,1,1]=4 486 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,1,0,1,0,0|0,0,1]=3 503 B8R1.30 CC1(C(=O)O)CC1F MC102835 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.30 CC1(C(=O)O)CC1F MC102836 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.78 CC(=O)C1(C)COC1 MC444075 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.78 CC1(C(=O)O)COC1 MC444297 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.78 NC(=O)C1(N)CCC1 MC106178 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.78 NC1(C(=O)O)CNC1 MC113165 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.78 NC1(C(=O)O)COC1 MC444235 [0,1,0,1,0,0|0,0,0]=2 512 B8R1.78 NC1(C(=O)O)CSC1 MC100257 [0,1,0,1,0,0|0,1,0]=3 513 B8R1.78 O=C(O)C1(F)CNC1 MC103706 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.11 O=C1NCCC1CO MC104392 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.38 COC(=O)C1CNC1 CS13402 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.38 COC(=O)C1COC1 MC100370 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.39 COC(=O)C1(Br)CC1 CS14399 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.39 COC(=O)C1(N)CC1 CS20598 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.63 N#CC1(C(=O)O)CC1 MC41838 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.63 NCC1(C(N)=O)CC1 MC443195 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.63 O=C(O)C1(CF)CC1 MC116220 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.77 O=C(O)C1CC1(F)F MC429774 [0,1,0,1,0,0|2,0,0]=4 526 B8R2.66 O=C(O)C12CC1C2 MC104145 [0,0,0,2,0,0|2,0,0]=4