0 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.2 COC(C)C(N)C(=O)O MC439018 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.2 O=C(O)C(O)C(O)CO MC20861 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.2 O=C([O-])C(O)C(O)CO CS13317 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.2 O=C([O-])C(O)C(O)CO MC428259 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 COC(=O)CC(=O)O CS13436 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.2 NCC(O)CC(=O)O CS16710 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.5 C#CCC(N)C(=O)O CS13900 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.5 C#CCC(N)C(=O)O MC21037 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.5 C#CCC(N)C(=O)O MC438112 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.5 CCCC(N)C(=O)O CS10518 [1,0,0,0,0,0|0,0,0]=1 19 B7R0.5 CCCC(N)C(=O)O CS17028 [1,0,0,0,0,0|0,0,0]=1 20 B7R0.5 CCCC(N)C(=O)O MC439125 [1,0,0,0,0,0|0,0,0]=1 21 B7R0.5 CCCC(N)C(N)=O MC438024 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.5 COCC(N)C(=O)O CS12183 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.5 COCC(N)C(=O)O CS16755 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 COCC(N)C(=O)O CS20335 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 CSCC(N)C(=O)O MC439293 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.5 N#CCC(N)C(=O)O MC436869 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.5 NC(CCO)C(=O)O CS13886 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.5 NC(CCO)C(=O)O CS16701 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 NC(CCO)C(=O)O CS22620 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 NCCC(N)C(=O)O CS13874 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.5 NCCC(N)C(=O)O CS15080 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 NCCC(N)C(=O)O MC436921 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.5 NCCC(N)C(=O)O MC439091 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 NCCC(N)C(=O)O MC439321 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.5 NCCC(O)C(=O)O CS15496 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.5 NCCC(O)C(=O)O CS21759 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.10 CCC(C)C(N)CO CS18903 [1,0,0,0,0,0|0,0,1]=2 40 B7R0.10 CCC(C)C(N)CO MC437812 [1,0,0,0,0,0|0,0,1]=2 41 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.16 CC(C)C(F)C(=O)O MC429818 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.16 CC(C)C(N)B(O)O MC442651 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.16 CC(C)C(N)C(=O)O CS19285 [1,0,0,0,0,0|0,0,0]=1 47 B7R0.16 CC(C)C(N)C(=O)O MC438291 [1,0,0,0,0,0|0,0,0]=1 48 B7R0.16 CC(C)C(N)C(=O)O MC438292 [1,0,0,0,0,0|0,0,0]=1 49 B7R0.16 CC(C)C(N)C(C)C CS17730 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.16 CC(C)C(N)C(N)=O CS11445 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.16 CC(C)C(N)C(N)=O MC428367 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.16 CC(C)C(N)C(N)=O MC435294 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.16 CC(C)C(O)C(=O)O MC437769 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.16 CC(C)C(O)C(=O)O MC437770 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.16 CC(O)C(N)C(=O)O CS16722 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.16 CC(O)C(N)C(=O)O CS22619 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.16 CC(O)C(N)C(=O)O MC438198 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.16 CC(O)C(N)C(=O)O MC438199 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.16 CC(O)C(N)C(=O)O MC438200 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.16 CC(O)C(N)C(N)=O MC438202 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.27 CCC(=O)C(F)C(=O)OC MC439606 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.27 CCC(C)C(N)C(=O)OC CS13864 [0,1,0,0,0,0|0,0,0]=1 64 B9R0.27 CCC(C)C(N)\C(O)=N\O MC437801 [0,1,0,0,0,0|0,0,1]=2 65 B9R0.29 CCC(C)C(NC)C(=O)O MC435477 [0,1,0,0,0,0|0,0,0]=1 66 B9R0.29 CCC(C)C(NC)C(=O)O MC437913 [0,1,0,0,0,0|0,0,0]=1 67 B9R0.79 CC(C(=O)O)C(N)C(=O)O MC20536 [0,1,0,0,0,0|1,0,1]=3 68 B9R0.79 CC(C)C(O)C(N)C(=O)O MC116178 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.41 CN1CCCC1C(=O)O CS11794 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.41 CN1CCCC1C(=O)O MC437939 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.41 O=C(O)C1NCCC1O MC105345 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.41 O=C(O)C1NCCC1O MC105346 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.41 O=C(O)C1NCCC1O MC105412 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.110 NC(C(=O)O)C1CCC1 MC444160 [0,0,0,1,0,0|0,0,0]=1 75 B9R1.110 NC(C(=O)O)C1CCC1 MC444508 [0,0,0,1,0,0|0,0,0]=1 76 B9R1.110 NC(C(=O)O)C1COC1 MC101964 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.111 CC1(C(N)C(=O)O)CC1 MC103432 [0,0,0,1,0,0|0,0,0]=1 78 B9R0.23 CCC(C)C(N)CC(=O)O MC439106 [0,0,0,0,0,1|0,0,0]=1 79 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,0,0,0,0,1|2,0,1]=4 80 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,0,0,0,0,1|2,0,1]=4 81 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,0,0,0,0,1|2,0,1]=4 82 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,0,0,0,0,1|2,0,1]=4 83 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [0,0,0,0,0,1|2,0,1]=4 84 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,0,0,0,0,1|2,0,1]=4 85 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,0,0,0,0,1|2,0,1]=4 86 B6R0.1 CCC(C)CCBr MC112369 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.1 CCCC(O)CO CS20495 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.2 CC(Br)CC(=O)O MC106689 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.2 CC(C)=CC(=O)O CS14947 [2,0,0,0,0,0|0,0,2]=4 90 B6R0.2 CC(C)CB(O)O CS22276 [2,0,0,0,0,0|1,0,1]=4 91 B6R0.2 CC(N)CC(=O)O CS19028 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.2 CC(N)CC(=O)O CS20346 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.2 CC(N)CC(=O)O MC439098 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.2 CC(O)CC(=O)O MC426020 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.2 CC(O)CC(=O)O MC426021 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.2 CC(O)CC(=O)[O-] CS20253 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.2 CN(C)CC(=O)O CS13413 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.2 NC([SeH])CC(=O)O MC435590 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.2 NC([SeH])CC(=O)O MC435591 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 C#CCCC(=O)O MC428029 [2,0,0,0,0,0|0,0,2]=4 101 B6R0.4 C=CCCC(=O)O CS15216 [2,0,0,0,0,0|0,0,2]=4 102 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.4 N#CCCC(=O)O CS22262 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.4 NCCCC(N)=O MC112262 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.4 O=C(Cl)CCCCl MC40450 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.3 C=CC(N)C(=O)O MC21080 [2,0,0,0,0,0|0,0,2]=4 111 B6R0.3 CC(C)C(C)CO MC113312 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.3 CC(C)C(N)CO CS17224 [2,0,0,0,0,0|0,0,1]=3 113 B6R0.3 CC(C)C(N)CO CS22659 [2,0,0,0,0,0|0,0,1]=3 114 B6R0.3 CC(CN)C(=O)O MC105846 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.3 CC(CN)C(=O)O MC105847 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.3 CC(O)C(N)CO MC438221 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.3 CCC(=O)C(=O)O CS21626 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.3 CCC(Br)C(=O)O MC426015 [2,0,0,0,0,0|1,0,0]=3 119 B6R0.3 CCC(Cl)C(=O)O MC426016 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.3 CCC(N)B(O)O MC442680 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.3 CCC(N)B(O)O MC442681 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.3 CCC(N)C(=O)O CS13661 [2,0,0,0,0,0|0,0,0]=2 123 B6R0.3 CCC(N)C(=O)O CS14054 [2,0,0,0,0,0|0,0,0]=2 124 B6R0.3 CCC(N)C(=O)O CS14084 [2,0,0,0,0,0|0,0,0]=2 125 B6R0.3 CCC(N)C(N)=O CS15891 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.3 CCC(N)C(N)=O MC436006 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.3 CNC(C)C(=O)O MC428068 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.3 CNC(C)C(=O)O MC428076 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.3 CNC(C)C(=O)O MC428084 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.3 COC(C)C(=O)O CS14024 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.3 COC(C)C(=O)O MC425243 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.3 NC(=O)C(N)CO MC438160 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.3 NC(CCl)C(=O)O MC436849 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.3 NC(CCl)C(=O)O MC436850 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.3 NC(CCl)C(=O)O MC436851 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.3 NC(CCl)C(=O)O MC436852 [2,0,0,0,0,0|1,0,0]=3 137 B6R0.3 NC(CF)C(=O)O MC437009 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.3 NC(CO)C(=O)O CS14731 [2,0,0,0,0,0|1,0,0]=3 139 B6R0.3 NC(CO)C(=O)O CS18949 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.3 NC(CO)C(=O)O CS19144 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.3 NC(CS)C(=O)O CS19113 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.3 NC(CS)C(=O)O CS19417 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.3 NC(CS)C(=O)O CS19655 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.3 NC(CS)C(=O)O MC428046 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.3 NC(CS)C(=O)O MC436887 [2,0,0,0,0,0|1,0,0]=3 146 B6R0.3 NC(CS)C(=O)O MC436888 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.3 NC(CS)C(=O)O MC439001 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.3 NC(C[SeH])C(=O)O MC435423 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.3 NCC(N)C(=O)O CS14756 [2,0,0,0,0,0|1,0,0]=3 150 B6R0.3 NCC(N)C(=O)O CS19624 [2,0,0,0,0,0|1,0,0]=3 151 B6R0.3 NCC(N)C(=O)O CS19672 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.3 NCC(O)C(=O)O CS20294 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.3 NCC(O)C(=O)O MC437816 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.3 O=C(O)C(Br)CBr CS15215 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.3 O=C(O)C(O)CCl MC10790 [2,0,0,0,0,0|2,0,0]=4 156 B8R0.19 CCC(=O)CC(=O)OC CS18389 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.19 COC(=O)CC(O)CCl CS18252 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [1,1,0,0,0,0|0,0,0]=2 159 B8R0.3 C#CCC(N)C(=O)OC MC438113 [1,1,0,0,0,0|0,0,2]=4 160 B8R0.3 CCCC(N)C(=O)OC MC438026 [1,1,0,0,0,0|0,0,0]=2 161 B8R0.3 COC(=O)C(Br)CCBr MC41887 [1,1,0,0,0,0|2,0,0]=4 162 B8R0.8 CCCCC(N)B(O)O MC442653 [1,1,0,0,0,0|1,0,1]=4 163 B8R0.8 CCCCC(N)C(=O)O MC428079 [1,1,0,0,0,0|0,0,0]=2 164 B8R0.8 CCCCC(N)C(=O)O MC428113 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.8 CCCCC(N)C(=O)O MC428121 [1,1,0,0,0,0|0,0,0]=2 166 B8R0.8 CCCCC(N)C(N)=O MC438017 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.8 CSCCC(N)C(=O)O CS18644 [1,1,0,0,0,0|0,0,0]=2 168 B8R0.8 CSCCC(N)C(=O)O MC428038 [1,1,0,0,0,0|0,0,0]=2 169 B8R0.8 CSCCC(N)C(=O)O MC428332 [1,1,0,0,0,0|0,0,0]=2 170 B8R0.8 CSCCC(N)C(N)=O MC437951 [1,1,0,0,0,0|1,0,0]=3 171 B8R0.8 CSCCC(N)C(N)=O MC439009 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [1,1,0,0,0,0|0,0,0]=2 173 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [1,1,0,0,0,0|0,0,0]=2 174 B8R0.8 NCCCC(N)C(=O)O CS22279 [1,1,0,0,0,0|0,0,0]=2 175 B8R0.8 NCCCC(N)C(=O)O MC438045 [1,1,0,0,0,0|0,0,0]=2 176 B8R0.8 NCCCC(N)C(=O)O MC439200 [1,1,0,0,0,0|0,0,0]=2 177 B8R0.8 NOCCC(N)C(=O)O MC100566 [1,1,0,0,0,0|1,0,0]=3 178 B8R0.8 NOCCC(N)C(=O)O MC114097 [1,1,0,0,0,0|1,0,0]=3 179 B8R0.12 CC(C)(CCN)C(=O)O MC442790 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.12 COCC(F)(F)C(=O)O MC104134 [1,1,0,0,0,0|2,0,0]=4 181 B8R0.15 CCCC(NC)C(=O)O MC435490 [1,1,0,0,0,0|0,0,0]=2 182 B8R0.15 CCCC(NC)C(=O)O MC437925 [1,1,0,0,0,0|0,0,0]=2 183 B8R0.18 CNC(C(=O)O)C(C)C MC437989 [1,1,0,0,0,0|0,0,0]=2 184 B8R0.18 CNC(C(=O)O)C(C)C MC437990 [1,1,0,0,0,0|0,0,0]=2 185 B8R0.18 CNC(C(=O)O)C(C)O MC435508 [1,1,0,0,0,0|1,0,0]=3 186 B8R0.18 CNC(C(=O)O)C(C)O MC437968 [1,1,0,0,0,0|1,0,0]=3 187 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [1,1,0,0,0,0|0,0,0]=2 189 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [1,1,0,0,0,0|0,0,0]=2 190 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [1,1,0,0,0,0|0,0,0]=2 191 B8R0.27 CC(C)(F)C(N)C(=O)O MC429244 [1,1,0,0,0,0|0,0,0]=2 192 B8R0.27 CC(C)(S)C(N)C(=O)O MC438067 [1,1,0,0,0,0|0,0,0]=2 193 B8R0.27 NC(C(=O)O)C(F)(F)F MC426112 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.27 NC(C(=O)O)C(F)(F)F MC429270 [1,1,0,0,0,0|2,0,0]=4 195 B8R0.37 CC(C)C(C)(N)C(=O)O MC437991 [1,1,0,0,0,0|0,0,0]=2 196 B8R0.37 CC(C)C(C)(N)C(=O)O MC437992 [1,1,0,0,0,0|0,0,0]=2 197 B8R0.37 CC(C)C(C)(N)C(=O)O MC437993 [1,1,0,0,0,0|0,0,0]=2 198 B8R0.37 CC(C)C(C)(N)C(N)=O CS14313 [1,1,0,0,0,0|1,0,0]=3 199 B8R0.37 CC(C)C(C)(O)C(=O)O MC100317 [1,1,0,0,0,0|1,0,0]=3 200 B10R0.51 CCC(C)C(NC)C(=O)OC MC435476 [0,2,0,0,0,0|0,0,0]=2 201 B10R0.51 CCC(C)C(NC)C(=O)OC MC437914 [0,2,0,0,0,0|0,0,0]=2 202 B8R1.1 NCC1CNC(=O)C1 MC101927 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.1 NCC1CNC(=O)C1 MC105678 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.1 NCC1CNC(=O)C1 MC121239 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.1 NCC1COC(=O)N1 MC104254 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.1 O=C1CC(CF)CO1 MC10217 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.1 O=C1NC(CO)CO1 MC427148 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.4 CN1CCNC(=O)C1 CS13438 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.4 CN1CCOC(=O)C1 CS17566 [1,0,0,1,0,0|1,0,0]=3 216 B8R1.4 NC1CCNC(=O)C1 CS15459 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.4 NC1CCNC(=O)C1 MC444313 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.18 CC1CC(=O)OC1=O MC440511 [1,0,0,1,0,0|1,0,1]=4 219 B8R1.31 NC1CCC1C(=O)O MC104253 [1,0,0,1,0,0|1,0,0]=3 220 B8R1.31 NC1CCC1C(=O)O MC104335 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.31 NC1CCC1C(=O)O MC104421 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.31 NC1CCC1C(=O)O MC105420 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.34 O=C(O)CC1CCC1 CS11177 [1,0,0,1,0,0|0,0,0]=2 224 B8R1.34 O=C(O)CC1CNC1 MC103917 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.34 O=C(O)CC1CNC1 MC444240 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.34 O=C(O)CC1COC1 MC444158 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.5 NC1CCCCC1O CS12403 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.5 NC1CCCCC1O CS12547 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.5 NC1CCCCC1O CS12548 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.5 NC1CCCCC1O CS14928 [1,0,0,1,0,0|1,0,1]=4 231 B8R1.5 NC1CCCCC1O CS18590 [1,0,0,1,0,0|1,0,1]=4 232 B8R1.5 NC1CCCCC1O MC20710 [1,0,0,1,0,0|1,0,1]=4 233 B8R1.5 NC1CCCCC1O MC20824 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.5 NC1CCCNC1=O MC106744 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.5 O=C1NCCCC1Br CS14644 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.5 O=C1NCCCC1O CS19689 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.5 O=C1OCCCC1O CS16147 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.7 NC(=O)C1CCCN1 CS22629 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.7 NC(=O)C1CCCN1 MC438122 [1,0,0,1,0,0|1,0,0]=3 242 B8R1.7 NC(=O)C1CCCN1 MC438123 [1,0,0,1,0,0|1,0,0]=3 243 B8R1.7 NC(=O)C1CCCN1 MC438124 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.7 NC(=O)C1CCCN1 MC438125 [1,0,0,1,0,0|1,0,0]=3 245 B8R1.7 O=C(O)C1C=CCN1 MC436934 [1,0,0,1,0,0|0,0,2]=4 246 B8R1.7 O=C(O)C1C=CCN1 MC436935 [1,0,0,1,0,0|0,0,2]=4 247 B8R1.7 O=C(O)C1CCCN1 CS18287 [1,0,0,1,0,0|0,0,0]=2 248 B8R1.7 O=C(O)C1CCCN1 CS18742 [1,0,0,1,0,0|0,0,0]=2 249 B8R1.7 O=C(O)C1CCCN1 CS22249 [1,0,0,1,0,0|0,0,0]=2 250 B8R1.7 O=C(O)C1CCCO1 CS16192 [1,0,0,1,0,0|1,0,0]=3 251 B8R1.7 O=C(O)C1CCCO1 CS18232 [1,0,0,1,0,0|1,0,0]=3 252 B8R1.7 O=C(O)C1CCCO1 MC20393 [1,0,0,1,0,0|1,0,0]=3 253 B8R1.7 O=C(O)C1CCNC1 CS18444 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.7 O=C(O)C1CCNC1 CS19637 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.7 O=C(O)C1CCOC1 CS19475 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.7 O=C(O)C1CCOC1 MC444586 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.7 O=C(O)C1CSCN1 CS15627 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.7 O=C(O)C1CSCN1 MC20446 [1,0,0,1,0,0|1,0,0]=3 259 B8R1.7 O=C(O)C1NCCS1 CS16514 [1,0,0,1,0,0|1,0,0]=3 260 B8R1.7 O=C([O-])C1CSCN1 MC436714 [1,0,0,1,0,0|1,0,1]=4 261 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [1,0,0,1,0,0|1,0,0]=3 263 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.30 CC1(C(=O)O)CC1F MC102835 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.30 CC1(C(=O)O)CC1F MC102836 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [1,0,0,1,0,0|1,0,1]=4 279 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [1,0,0,1,0,0|1,0,0]=3 280 B8R1.78 CC1(C(=O)O)COC1 MC444297 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.78 NC(=O)C1(N)CCC1 MC106178 [1,0,0,1,0,0|1,0,0]=3 282 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [1,0,0,1,0,0|0,0,0]=2 283 B8R1.78 NC1(C(=O)O)CNC1 MC113165 [1,0,0,1,0,0|1,0,0]=3 284 B8R1.78 NC1(C(=O)O)COC1 MC444235 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.78 NC1(C(=O)O)CSC1 MC100257 [1,0,0,1,0,0|1,0,0]=3 286 B8R1.78 O=C(O)C1(F)CNC1 MC103706 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.77 CC1(C)CC1C(=O)O CS19841 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.77 CC1(C)CC1C(N)=O MC427500 [1,0,0,1,0,0|2,0,0]=4 289 B10R1.64 CN1CCCC1CC(=O)O MC116521 [0,0,0,1,0,1|2,0,0]=4 290 B10R1.266 CC(CC(=O)O)C1CCC1 MC112325 [0,0,0,1,0,1|1,0,0]=3 291 B10R1.113 CC1CCNC(C(=O)O)C1 CS13084 [0,0,0,1,0,1|0,0,0]=2 292 B10R1.113 NC1CCCC(C(=O)O)C1 CS14264 [0,0,0,1,0,1|2,0,0]=4 293 B10R1.113 NC1CCCC(C(=O)O)C1 CS17221 [0,0,0,1,0,1|2,0,0]=4 294 B10R1.113 NC1CCCC(C(=O)O)C1 CS17237 [0,0,0,1,0,1|2,0,0]=4 295 B10R1.113 NC1CCCC(C(=O)O)C1 CS19619 [0,0,0,1,0,1|2,0,0]=4 296 B10R1.113 NC1CCCC(C(=O)O)C1 MC105219 [0,0,0,1,0,1|2,0,0]=4 297 B10R1.113 O=C(O)C1CC(O)CCN1 MC445804 [0,0,0,1,0,1|1,0,0]=3 298 B10R1.113 O=C1CCNC(C(=O)O)C1 MC113049 [0,0,0,1,0,1|1,0,1]=4 299 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445805 [0,0,0,1,0,1|1,0,1]=4 300 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445809 [0,0,0,1,0,1|1,0,1]=4 301 B10R1.59 CN1CC(O)CC1C(=O)O MC107204 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.59 CN1CC(O)CC1C(=O)O MC437912 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.61 CN1CCCCC1C(=O)O MC20434 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.61 O=C(O)C1CCCCC1O CS21597 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.149 COC(=O)C1NCCC1O MC104250 [0,1,0,1,0,0|1,0,0]=3 306 B10R1.149 COC(=O)C1NCCC1O MC104974 [0,1,0,1,0,0|1,0,0]=3 307 B10R1.149 COC(=O)C1NCCC1O MC104976 [0,1,0,1,0,0|1,0,0]=3 308 B10R1.182 COC(=O)C(N)C1COC1 MC429817 [0,1,0,1,0,0|1,0,0]=3 309 B10R1.354 O=C(O)C(F)(F)C1CCC1 MC431514 [0,1,0,1,0,0|1,0,0]=3 310 B10R1.354 O=C(O)C(F)(F)C1COC1 MC431513 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.83 CC1(C)C(N)CC1C(=O)O MC105078 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.83 CC1(C)C(N)CC1C(=O)O MC105079 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.83 CC1(C)C(N)CC1C(=O)O MC113164 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.128 CC1(C)CNCC1C(=O)O CS14764 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.128 CC1(C)SCNC1C(=O)O MC438068 [0,1,0,1,0,0|1,0,0]=3 316 B10R2.32 O=C1NCC2CCNC12 MC103732 [0,0,0,2,0,0|1,0,0]=3 317 B10R2.344 O=C(O)C12CNCC1C2 MC103440 [0,0,0,2,0,0|2,0,0]=4 318 B10R2.344 O=C(O)C12CNCC1C2 MC444238 [0,0,0,2,0,0|2,0,0]=4 319 B10R2.355 O=C(O)C1NCC2CC21 MC100068 [0,0,0,2,0,0|0,0,0]=2 320 B10R2.355 O=C(O)C1NCC2CC21 MC100069 [0,0,0,2,0,0|0,0,0]=2 321 B10R2.355 O=C(O)C1NCC2CC21 MC103380 [0,0,0,2,0,0|0,0,0]=2 322 B10R2.355 O=C(O)C1NCC2CC21 MC103381 [0,0,0,2,0,0|0,0,0]=2 323 B10R2.355 O=C(O)C1NCC2CC21 MC105643 [0,0,0,2,0,0|0,0,0]=2 324 B10R2.355 O=C(O)C1NCC2CC21 MC105644 [0,0,0,2,0,0|0,0,0]=2 325 B10R0.82 NCC(O)CCC(N)C(=O)O MC437772 [0,0,0,0,0,2|2,0,0]=4