0 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.16 CC(C)C(N)B(O)O MC442651 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.16 CC(C)C(N)C(C)C CS17730 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.16 NC(=O)C(N)C(N)=O CS14640 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.16 O=C(O)C(=O)C(Br)Br CS18490 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.2 CC(Br)CC(=O)O MC106689 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.2 CC(Br)CC(N)=S MC106193 [1,0,0,0,0,0|2,1,0]=4 25 B6R0.2 CC(C)=CC(=O)O CS14947 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.2 CC(C)CB(O)O CS22276 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.2 CC(N)CC(=O)O CS19028 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.2 CC(N)CC(=O)O CS20346 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.2 CC(N)CC(=O)O MC439098 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.2 CC(O)CC(=O)O MC426020 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.2 CC(O)CC(=O)O MC426021 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.2 CN(C)CC(=O)O CS13413 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.2 CN(C)CC(N)=S CS15155 [1,0,0,0,0,0|2,1,0]=4 35 B6R0.2 NC([SeH])CC(=O)O MC435590 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.2 NC([SeH])CC(=O)O MC435591 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.2 O=C(O)CC(=O)O MC41922 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.2 O=C(O)CC(=O)O MC41938 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.3 C=CC(N)C(=O)O MC21080 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.3 CC(C)C(C)CO MC113312 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.3 CC(C)C(N)CO CS17224 [1,0,0,0,0,0|0,0,1]=2 42 B6R0.3 CC(C)C(N)CO CS22659 [1,0,0,0,0,0|0,0,1]=2 43 B6R0.3 CC(CN)C(=O)O MC105846 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.3 CC(CN)C(=O)O MC105847 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.3 CC(O)C(N)CO MC438221 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.3 CCC(=O)C(=O)O CS21626 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.3 CCC(Br)C(=O)O MC426015 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.3 CCC(N)B(O)O MC442680 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.3 CCC(N)B(O)O MC442681 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.3 CCC(N)C(=O)O CS13661 [1,0,0,0,0,0|0,0,0]=1 52 B6R0.3 CCC(N)C(=O)O CS14054 [1,0,0,0,0,0|0,0,0]=1 53 B6R0.3 CCC(N)C(=O)O CS14084 [1,0,0,0,0,0|0,0,0]=1 54 B6R0.3 CCC(N)C(N)=O CS15891 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.3 CCC(N)C(N)=O MC436006 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.3 CNC(C)C(=O)O MC428068 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.3 CNC(C)C(=O)O MC428076 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.3 CNC(C)C(=O)O MC428084 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.3 COC(C)C(=O)O CS14024 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.3 COC(C)C(=O)O MC425243 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.3 N#CC(N)C(N)=O MC111521 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.3 NC(=O)C(N)CO MC438160 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.3 NC(CCl)C(=O)O MC436849 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.3 NC(CCl)C(=O)O MC436850 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.3 NC(CCl)C(=O)O MC436851 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.3 NC(CCl)C(=O)O MC436852 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.3 NC(CF)C(=O)O MC437009 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.3 NC(CO)C(=O)O CS14731 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.3 NC(CO)C(=O)O CS18949 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.3 NC(CO)C(=O)O CS19144 [1,0,0,0,0,0|1,0,0]=2 71 B6R0.3 NC(CS)C(=O)O CS19113 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.3 NC(CS)C(=O)O CS19417 [1,0,0,0,0,0|1,0,0]=2 73 B6R0.3 NC(CS)C(=O)O CS19655 [1,0,0,0,0,0|1,0,0]=2 74 B6R0.3 NC(CS)C(=O)O MC428046 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.3 NC(CS)C(=O)O MC436887 [1,0,0,0,0,0|1,0,0]=2 76 B6R0.3 NC(CS)C(=O)O MC436888 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.3 NC(CS)C(=O)O MC439001 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.3 NC(C[SeH])C(=O)O MC435423 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.3 NCC(N)C(=O)O CS14756 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.3 NCC(N)C(=O)O CS19624 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.3 NCC(N)C(=O)O CS19672 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.3 NCC(O)C(=O)O CS20294 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.3 NCC(O)C(=O)O MC437816 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.3 O=C(O)C(Br)CBr CS15215 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.3 O=C(O)C(O)CCl MC10790 [1,0,0,0,0,0|2,0,0]=3 86 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,1,0,0,0,0|0,0,0]=1 87 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,1,0,0,0,0|0,0,0]=1 88 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,1,0,0,0,0|0,0,0]=1 89 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,1,0,0,0,0|0,0,0]=1 90 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,1,0,0,0,0|0,0,0]=1 91 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,1,0,0,0,0|0,0,0]=1 92 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.2 CNC(=O)C(N)C(C)O MC435234 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.2 COC(=O)C(Br)C(C)C CS11601 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.2 COC(=O)C(N)C(C)C CS13949 [0,1,0,0,0,0|0,0,0]=1 96 B8R0.2 COC(=O)C(N)C(C)C CS22265 [0,1,0,0,0,0|0,0,0]=1 97 B8R0.2 COC(=O)C(N)C(C)C MC438304 [0,1,0,0,0,0|0,0,0]=1 98 B8R0.2 COC(=O)C(N)C(C)C MC439083 [0,1,0,0,0,0|0,0,0]=1 99 B8R0.2 COC(=O)C(N)C(C)O CS15233 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.2 COC(=O)C(N)C(C)O CS17112 [0,1,0,0,0,0|1,0,0]=2 101 B8R0.2 COC(=O)C(N)C(C)O CS17155 [0,1,0,0,0,0|1,0,0]=2 102 B8R0.2 COC(=O)C(N)C(C)O MC438205 [0,1,0,0,0,0|1,0,0]=2 103 B8R0.2 COC(=O)C(N)C(C)O MC438206 [0,1,0,0,0,0|1,0,0]=2 104 B8R0.2 COC(C)C(N)C(=O)O MC439018 [0,1,0,0,0,0|0,0,0]=1 105 B8R0.2 O=C(O)C(O)C(O)CO MC20861 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.2 O=C([O-])C(O)C(O)CO CS13317 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.2 O=C([O-])C(O)C(O)CO MC428259 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.18 CNC(C(=O)O)C(C)C MC437989 [0,1,0,0,0,0|0,0,0]=1 109 B8R0.18 CNC(C(=O)O)C(C)C MC437990 [0,1,0,0,0,0|0,0,0]=1 110 B8R0.18 CNC(C(=O)O)C(C)O MC435508 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.18 CNC(C(=O)O)C(C)O MC437968 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [0,1,0,0,0,0|1,0,1]=3 113 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [0,1,0,0,0,0|0,0,0]=1 114 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [0,1,0,0,0,0|0,0,0]=1 115 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [0,1,0,0,0,0|0,0,0]=1 116 B8R0.27 CC(C)(F)C(N)C(=O)O MC429244 [0,1,0,0,0,0|0,0,0]=1 117 B8R0.27 CC(C)(S)C(N)C(=O)O MC438067 [0,1,0,0,0,0|0,0,0]=1 118 B8R0.27 NC(C(=O)O)C(F)(F)F MC426112 [0,1,0,0,0,0|2,0,0]=3 119 B8R0.27 NC(C(=O)O)C(F)(F)F MC429270 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.37 CC(C)C(C)(N)C(=O)O MC437991 [0,1,0,0,0,0|0,0,0]=1 121 B8R0.37 CC(C)C(C)(N)C(=O)O MC437992 [0,1,0,0,0,0|0,0,0]=1 122 B8R0.37 CC(C)C(C)(N)C(=O)O MC437993 [0,1,0,0,0,0|0,0,0]=1 123 B8R0.37 CC(C)C(C)(N)C(N)=O CS14313 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.37 CC(C)C(C)(O)C(=O)O MC100317 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.30 CC1(C(=O)O)CC1F MC102835 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.30 CC1(C(=O)O)CC1F MC102836 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.31 NC1CCC1C(=O)O MC104253 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.31 NC1CCC1C(=O)O MC104335 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.31 NC1CCC1C(=O)O MC104421 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.31 NC1CCC1C(=O)O MC105420 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.54 CC(B(O)O)C1CC1 MC429830 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,0,0,1,0,0|1,0,1]=3 134 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [0,0,0,1,0,0|1,0,2]=4 135 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,0,0|1,0,0]=2 136 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.77 O=C(O)C1CC1(F)F MC429774 [0,0,0,1,0,0|3,0,0]=4 139 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,0,0,0,0,1|0,0,2]=3 140 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,0,0,0,0,1|2,0,1]=4 141 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,0,0,0,0,1|2,0,1]=4 142 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,0,0,0,0,1|2,0,1]=4 143 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,0,0,0,0,1|2,0,1]=4 144 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,0,0,0,0,1|1,0,0]=2 145 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,0,0,0,0,1|1,0,0]=2 146 B8R0.23 CC(C)CC(N)B(O)O MC442652 [0,0,0,0,0,1|1,0,1]=3 147 B8R0.23 CC(C)CC(N)B(O)O MC442682 [0,0,0,0,0,1|1,0,1]=3 148 B8R0.23 CC(C)CC(N)B(O)O MC442688 [0,0,0,0,0,1|1,0,1]=3 149 B8R0.23 CC(C)CC(N)B(O)O MC442689 [0,0,0,0,0,1|1,0,1]=3 150 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,0,0,0,0,1|0,0,0]=1 151 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,0,0,0,0,1|0,0,0]=1 152 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,0,0,0,0,1|0,0,0]=1 153 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,0,0,0,0,1|1,0,0]=2 154 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,0,0,0,0,1|1,0,0]=2 155 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,0,0,0,0,1|1,0,0]=2 156 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,0,0,0,0,1|1,0,0]=2 157 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,0,0,0,0,1|1,0,0]=2 158 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,0,0,0,0,1|1,0,0]=2 159 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,0,0,0,0,1|1,0,0]=2 160 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,0,0,0,0,1|1,0,0]=2 161 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,0,0,0,0,1|2,0,1]=4 162 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,0,0,0,0,1|2,0,1]=4 163 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,0,0,0,0,1|2,0,1]=4 164 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,0,0,0,0,1|2,0,1]=4 165 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,0,0,0,0,1|2,0,1]=4 166 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,0,0,0,0,1|2,0,1]=4 167 B5R0.1 CC#CC(=O)O MC20776 [2,0,0,0,0,0|0,0,2]=4 168 B5R0.1 CC(C)CC=O CS11530 [2,0,0,0,0,0|0,0,0]=2 169 B5R0.1 CC(N)CCO CS14355 [2,0,0,0,0,0|1,0,1]=4 170 B5R0.1 CC(N)CCO CS14356 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.1 CC(N)CCO CS22096 [2,0,0,0,0,0|1,0,1]=4 172 B5R0.1 CCCB(O)O CS14802 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|1,0,0]=3 174 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.1 CN(C)CC=O CS17734 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.1 CN(C)CCO CS11733 [2,0,0,0,0,0|1,0,1]=4 177 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|1,0,0]=3 178 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,0]=3 181 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 184 B5R0.1 C\C=C\C(=O)O MC41882 [2,0,0,0,0,0|0,0,2]=4 185 B5R0.1 N#CCC(=O)O MC41881 [2,0,0,0,0,0|1,0,1]=4 186 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|1,0,0]=3 189 B5R0.3 CCC(N)CO CS15119 [2,0,0,0,0,0|0,0,1]=3 190 B5R0.3 CCC(N)CO MC10528 [2,0,0,0,0,0|0,0,1]=3 191 B5R0.3 CCC(N)CO MC20718 [2,0,0,0,0,0|0,0,1]=3 192 B5R0.3 CCC(N)CO MC436159 [2,0,0,0,0,0|0,0,1]=3 193 B5R0.3 CCC(O)CO CS15622 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.3 NC(CO)CO CS18352 [2,0,0,0,0,0|1,0,1]=4 195 B5R0.3 O=CC(O)CO MC107096 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.3 O=CC(O)CO MC20361 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.3 O=CC(O)CO MC20362 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.5 CC(=O)C(=O)O MC41939 [2,0,0,0,0,0|1,0,1]=4 199 B5R0.5 CC(Br)C(=O)O MC20444 [2,0,0,0,0,0|1,0,0]=3 200 B5R0.5 CC(C)C(=O)Cl MC40490 [2,0,0,0,0,0|1,0,1]=4 201 B5R0.5 CC(C)C(N)=O CS21696 [2,0,0,0,0,0|0,0,1]=3 202 B5R0.5 CC(Cl)C(=O)O MC20315 [2,0,0,0,0,0|1,0,0]=3 203 B5R0.5 CC(Cl)C(=O)O MC436860 [2,0,0,0,0,0|1,0,0]=3 204 B5R0.5 CC(F)C(=O)O MC429445 [2,0,0,0,0,0|1,0,0]=3 205 B5R0.5 CC(N)B(O)O MC442650 [2,0,0,0,0,0|1,0,1]=4 206 B5R0.5 CC(N)B(O)O MC442679 [2,0,0,0,0,0|1,0,1]=4 207 B5R0.5 CC(N)B(O)O MC442687 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.5 CC(N)C(=O)O CS18992 [2,0,0,0,0,0|0,0,0]=2 209 B5R0.5 CC(N)C(=O)O CS19143 [2,0,0,0,0,0|0,0,0]=2 210 B5R0.5 CC(N)C(=O)O MC428047 [2,0,0,0,0,0|0,0,0]=2 211 B5R0.5 CC(N)C(N)=O CS15732 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.5 CC(N)C(N)=O CS22529 [2,0,0,0,0,0|1,0,0]=3 213 B5R0.5 CC(N)C(N)=O MC436152 [2,0,0,0,0,0|1,0,0]=3 214 B5R0.5 CC(N)C(N)=O MC436153 [2,0,0,0,0,0|1,0,0]=3 215 B5R0.5 CC(O)C(=O)O MC437817 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.5 O=C(O)C(F)F MC20641 [2,0,0,0,0,0|2,0,0]=4 217 B7R0.2 CC(C)CC(N)CO CS14853 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.2 CC(C)CC(N)CO CS19307 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.2 CC(C)OC(=O)CO CS11522 [1,1,0,0,0,0|1,0,0]=3 220 B7R0.2 COC(=O)CC(=O)O CS13436 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.2 COC(=O)CC(C)=O MC41927 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.2 COC(=O)CC(C)O CS11584 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.2 NCC(O)CC(=O)O CS16710 [1,1,0,0,0,0|1,0,0]=3 224 B7R0.9 CC(C)(C)CC(=O)O CS22814 [1,1,0,0,0,0|0,0,0]=2 225 B7R0.9 CC(C)(C)OC(N)=O CS11993 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.9 CC(C)(N)CC(=O)O CS14805 [1,1,0,0,0,0|0,0,0]=2 227 B7R0.9 CC(C)(N)CC(=O)O CS17039 [1,1,0,0,0,0|0,0,0]=2 228 B7R0.9 CC(C)CS(=O)(=O)Cl MC33117 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.9 CC(O)CC(C)(C)O MC428277 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.9 O=C(O)CC(F)(F)F MC429455 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.5 C#CCC(N)C(=O)O CS13900 [1,1,0,0,0,0|0,0,1]=3 234 B7R0.5 C#CCC(N)C(=O)O MC21037 [1,1,0,0,0,0|0,0,1]=3 235 B7R0.5 C#CCC(N)C(=O)O MC438112 [1,1,0,0,0,0|0,0,1]=3 236 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,1,0,0,0,0|0,0,1]=3 237 B7R0.5 CCCC(N)C(=O)O CS10518 [1,1,0,0,0,0|0,0,0]=2 238 B7R0.5 CCCC(N)C(=O)O CS17028 [1,1,0,0,0,0|0,0,0]=2 239 B7R0.5 CCCC(N)C(=O)O MC439125 [1,1,0,0,0,0|0,0,0]=2 240 B7R0.5 CCCC(N)C(N)=O MC438024 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.5 COCC(N)C(=O)O CS12183 [1,1,0,0,0,0|0,0,0]=2 242 B7R0.5 COCC(N)C(=O)O CS16755 [1,1,0,0,0,0|0,0,0]=2 243 B7R0.5 COCC(N)C(=O)O CS20335 [1,1,0,0,0,0|0,0,0]=2 244 B7R0.5 CSCC(N)C(=O)O MC439293 [1,1,0,0,0,0|0,0,0]=2 245 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,1,0,0,0,0|0,0,0]=2 246 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,1,0,0,0,0|0,0,0]=2 247 B7R0.5 N#CCC(N)C(=O)O MC436869 [1,1,0,0,0,0|0,0,1]=3 248 B7R0.5 NC(CCO)C(=O)O CS13886 [1,1,0,0,0,0|0,0,0]=2 249 B7R0.5 NC(CCO)C(=O)O CS16701 [1,1,0,0,0,0|0,0,0]=2 250 B7R0.5 NC(CCO)C(=O)O CS22620 [1,1,0,0,0,0|0,0,0]=2 251 B7R0.5 NCCC(N)C(=O)O CS13874 [1,1,0,0,0,0|0,0,0]=2 252 B7R0.5 NCCC(N)C(=O)O CS15080 [1,1,0,0,0,0|0,0,0]=2 253 B7R0.5 NCCC(N)C(=O)O MC436921 [1,1,0,0,0,0|0,0,0]=2 254 B7R0.5 NCCC(N)C(=O)O MC439091 [1,1,0,0,0,0|0,0,0]=2 255 B7R0.5 NCCC(N)C(=O)O MC439321 [1,1,0,0,0,0|0,0,0]=2 256 B7R0.5 NCCC(O)C(=O)O CS15496 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.5 NCCC(O)C(=O)O CS21759 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.10 CCC(Br)C(=O)OC CS14136 [1,1,0,0,0,0|1,0,0]=3 259 B7R0.10 CCC(C)C(N)CO CS18903 [1,1,0,0,0,0|0,0,1]=3 260 B7R0.10 CCC(C)C(N)CO MC437812 [1,1,0,0,0,0|0,0,1]=3 261 B7R0.10 CCC(N)C(=O)OC MC436010 [1,1,0,0,0,0|0,0,0]=2 262 B7R0.10 CNC(C)C(=O)OC MC437898 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.10 COC(=O)C(C)CBr MC428281 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.10 COC(=O)C(F)CO CS17081 [1,1,0,0,0,0|2,0,0]=4 265 B7R0.10 COC(=O)C(N)CCl CS22615 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.10 COC(=O)C(N)CCl MC418493 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.10 COC(=O)C(N)CCl MC436854 [1,1,0,0,0,0|1,0,0]=3 268 B7R0.10 COC(=O)C(N)CO CS16778 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.10 COC(=O)C(N)CO CS16785 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.10 COC(=O)C(N)CO CS22621 [1,1,0,0,0,0|1,0,0]=3 271 B7R0.10 COC(=O)C(N)CS CS13863 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.10 COC(=O)C(N)CS MC110561 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.10 COC(=O)C(O)CO MC429048 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.10 NC(CCl)C(=O)NO MC436853 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.13 CC(C)(CO)C(=O)O CS19743 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.13 CC(C)C(C)(N)C#N CS21220 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.13 CC(N)(CO)C(=O)O MC437944 [1,1,0,0,0,0|1,0,0]=3 278 B7R0.13 CC(N)(CO)C(=O)O MC437946 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.13 CC(N)(CS)C(=O)O MC445186 [1,1,0,0,0,0|1,0,0]=3 280 B7R0.13 CC(O)(CBr)C(=O)O CS14051 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.13 CCC(C)(N)C(=O)O CS16944 [1,1,0,0,0,0|0,0,0]=2 282 B7R0.13 CNC(C)(C)C(=O)O MC437895 [1,1,0,0,0,0|2,0,0]=4 283 B7R0.13 O=C(O)C(F)(F)CBr MC429351 [1,1,0,0,0,0|2,0,0]=4 284 B7R0.14 CC(C)(C)C(N)CO MC439423 [1,1,0,0,0,0|0,0,1]=3 285 B7R0.14 CC(C)(C)C(N)CO MC439424 [1,1,0,0,0,0|0,0,1]=3 286 B7R0.15 CCC(CC)C(=O)[O-] MC21097 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.15 CCC(CC)C(C)=O MC425625 [1,1,0,0,0,0|2,0,0]=4 288 B7R0.15 CCC(CN)C(=O)O MC105840 [1,1,0,0,0,0|0,0,0]=2 289 B7R0.15 CCC(CN)C(=O)O MC105841 [1,1,0,0,0,0|0,0,0]=2 290 B7R0.15 CNC(CO)C(=O)O MC435500 [1,1,0,0,0,0|1,0,0]=3 291 B7R0.15 CNC(CO)C(=O)O MC437945 [1,1,0,0,0,0|1,0,0]=3 292 B9R0.10 CC(C)(C)C(N)CC(=O)O CS20286 [0,1,0,0,0,1|0,0,0]=2 293 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437916 [0,1,0,0,0,1|0,0,0]=2 294 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437918 [0,1,0,0,0,1|0,0,0]=2 295 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437919 [0,1,0,0,0,1|0,0,0]=2 296 B9R0.23 CC(C)CC(N)C(=O)CCl MC437823 [0,1,0,0,0,1|1,0,0]=3 297 B9R0.23 CC(C)CC(N)\C(O)=N\O MC437831 [0,1,0,0,0,1|0,0,1]=3 298 B9R0.23 CCC(C)C(N)CC(=O)O MC439106 [0,1,0,0,0,1|0,0,0]=2 299 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,1,0,0,0,1|1,0,1]=4 300 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,1,0,0,0,1|1,0,1]=4 301 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,1,0,0,0,1|1,0,1]=4 302 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,1,0,0,0,1|1,0,1]=4 303 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [0,1,0,0,0,1|0,0,0]=2 304 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [0,1,0,0,0,1|0,0,0]=2 305 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [0,1,0,0,0,1|0,0,0]=2 306 B9R0.39 CNC(CC(C)C)C(=O)O MC435478 [0,1,0,0,0,1|0,0,0]=2 307 B9R0.39 CNC(CC(C)C)C(=O)O MC437917 [0,1,0,0,0,1|0,0,0]=2 308 B9R0.39 CNC(CC(C)C)C(=O)O MC437920 [0,1,0,0,0,1|0,0,0]=2 309 B9R0.42 CCC(=O)OC(Cl)C(C)C CS20670 [0,1,0,0,0,1|2,0,0]=4 310 B9R0.42 COC(=O)CC(=O)C(C)C CS11675 [0,1,0,0,0,1|1,0,1]=4 311 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [0,1,0,0,0,1|1,0,1]=4 312 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,1,0,0,0,1|1,0,1]=4 313 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,1,0,0,0,1|1,0,1]=4 314 B9R0.57 CC(C)(C)CC(N)C(=O)O MC100406 [0,1,0,0,0,1|0,0,0]=2 315 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436788 [0,1,0,0,0,1|0,0,0]=2 316 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436789 [0,1,0,0,0,1|0,0,0]=2 317 B9R0.79 CC(C)C(O)C(N)C(=O)O MC116178 [0,1,0,0,0,1|0,0,0]=2 318 B9R0.6 CCNC(=O)C(N)C(C)C MC112425 [0,2,0,0,0,0|1,0,0]=3 319 B9R0.6 CCOC(=O)C(=O)C(C)C MC41914 [0,2,0,0,0,0|1,0,1]=4 320 B9R0.6 CCOC(=O)C(Br)C(C)C CS19615 [0,2,0,0,0,0|1,0,0]=3 321 B9R0.6 CCOC(=O)C(F)C(C)C MC429819 [0,2,0,0,0,0|1,0,0]=3 322 B9R0.6 CCOC(=O)C(N)C(C)C MC438303 [0,2,0,0,0,0|0,0,0]=2 323 B9R0.25 COC(=O)C(N)C(C)(C)C CS19634 [0,2,0,0,0,0|0,0,0]=2 324 B9R0.25 COC(=O)C(N)C(C)(C)C MC41815 [0,2,0,0,0,0|0,0,0]=2 325 B9R0.25 COC(=O)C(N)C(C)(C)C MC439173 [0,2,0,0,0,0|0,0,0]=2 326 B9R0.25 COC(=O)C(N)C(F)(F)F MC426114 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.27 CCC(C)C(N)C(=O)OC CS13864 [0,2,0,0,0,0|0,0,0]=2 328 B9R0.27 CCC(C)C(N)\C(O)=N\O MC437801 [0,2,0,0,0,0|0,0,1]=3 329 B9R0.29 CCC(C)C(NC)C(=O)O MC435477 [0,2,0,0,0,0|0,0,0]=2 330 B9R0.29 CCC(C)C(NC)C(=O)O MC437913 [0,2,0,0,0,0|0,0,0]=2 331 B9R0.29 CNC(C(=O)OC)C(C)C MC437995 [0,2,0,0,0,0|0,0,0]=2 332 B9R0.29 CNC(C(=O)OC)C(C)O MC435509 [0,2,0,0,0,0|1,0,0]=3 333 B9R0.29 CNC(C(=O)OC)C(C)O MC435510 [0,2,0,0,0,0|1,0,0]=3 334 B9R0.33 CC(C)C(NC=O)C(=O)O MC437647 [0,2,0,0,0,0|0,0,0]=2 335 B9R0.54 CC(C)C(C(=O)O)C(=O)O CS22798 [0,2,0,0,0,0|1,0,0]=3 336 B7R1.2 CC1=NC(C)CO1 MC428186 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,0]=3 339 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|1,0,0]=3 342 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|0,0,0]=2 347 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|0,0,0]=2 348 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|1,0,0]=3 349 B7R1.12 NC(=O)C1CC1F MC102846 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.12 O=C(O)C1CC1Br MC430635 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.12 O=C(O)C1CC1F MC21162 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.12 O=C(O)C1CC1F MC425300 [1,0,0,1,0,0|1,0,0]=3 353 B7R1.12 O=C(O)C1CC1F MC425301 [1,0,0,1,0,0|1,0,0]=3 354 B7R1.12 O=C(O)C1CC1F MC425302 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.12 O=C(O)C1CC1F MC425316 [1,0,0,1,0,0|1,0,0]=3 356 B7R1.12 O=C(O)C1CC1I MC102749 [1,0,0,1,0,0|1,0,0]=3 357 B7R1.12 O=C(O)C1CC1I MC425298 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.20 N=C(N)CC1CC1 MC114877 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|0,0,0]=2 360 B7R1.4 CC1COCC1N MC444024 [1,0,0,1,0,0|0,0,1]=3 361 B7R1.4 NC1CCCC1O CS11147 [1,0,0,1,0,0|1,0,1]=4 362 B7R1.4 NC1CCCC1O CS15594 [1,0,0,1,0,0|1,0,1]=4 363 B7R1.4 NC1CCCC1O CS18884 [1,0,0,1,0,0|1,0,1]=4 364 B7R1.4 NC1CCCC1O CS19404 [1,0,0,1,0,0|1,0,1]=4 365 B7R1.4 NC1CCNC1=O MC107169 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.4 NC1CCNC1=O MC115917 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.4 NC1CCOC1=O CS18578 [1,0,0,1,0,0|0,0,0]=2 368 B7R1.4 NC1CCOC1=O MC439296 [1,0,0,1,0,0|0,0,0]=2 369 B7R1.4 NC1CCSC1=O MC428331 [1,0,0,1,0,0|0,1,0]=3 370 B7R1.4 NC1COCC1N MC101979 [1,0,0,1,0,0|1,0,1]=4 371 B7R1.4 NC1COCC1N MC101980 [1,0,0,1,0,0|1,0,1]=4 372 B7R1.4 NC1COCC1N MC103863 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.4 NC1COCC1N MC113515 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.4 NC1COCC1N MC444023 [1,0,0,1,0,0|1,0,1]=4 375 B7R1.4 NC1COCC1O MC105386 [1,0,0,1,0,0|1,0,1]=4 376 B7R1.4 NC1COCC1O MC105387 [1,0,0,1,0,0|1,0,1]=4 377 B7R1.4 NC1COCC1O MC431325 [1,0,0,1,0,0|1,0,1]=4 378 B7R1.4 NC1CONC1=O CS19264 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.4 NC1CONC1=O CS22528 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.4 NC1CONC1=O MC436879 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.4 NN1CCOC1=O MC102926 [1,0,0,1,0,0|1,0,0]=3 382 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.4 O=C1NCCC1O CS19486 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.4 O=C1NCCC1O MC115910 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.4 O=C1NCCC1O MC444274 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,1,0,0|0,0,0]=2 388 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,1,0,0|0,0,0]=2 389 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,1,0,0|0,0,0]=2 390 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,1,0,0|0,0,0]=2 391 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,1,0,0|1,0,0]=3 392 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.19 CC1(C(N)=O)CC1 MC106205 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.19 NC1(C(=O)O)CC1 CS16477 [1,0,0,1,0,0|0,0,0]=2 397 B7R1.19 O=C(O)C1(Br)CC1 CS15760 [1,0,0,1,0,0|1,0,0]=3 398 B7R1.19 O=C(O)C1(F)CC1 CS13809 [1,0,0,1,0,0|1,0,0]=3 399 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,0,0,1,0,1|1,0,0]=3 400 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,1,0,1|0,0,0]=2 401 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,0,0,1,0,1|2,0,0]=4 402 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,0,0,1,0,1|2,0,0]=4 403 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,0,0,1,0,1|2,0,0]=4 404 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,0,0,1,0,1|2,0,0]=4 405 B9R1.35 NC(=O)C1CC(F)CN1 MC114665 [0,0,0,1,0,1|2,0,0]=4 406 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,0,0,1,0,1|2,0,0]=4 407 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,0,0,1,0,1|2,0,0]=4 408 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,0,0,1,0,1|2,0,0]=4 409 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,0,0,1,0,1|2,0,0]=4 410 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,0,0,1,0,1|1,0,0]=3 411 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,0,0,1,0,1|1,0,0]=3 412 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,0,0,1,0,1|1,0,0]=3 413 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,0,0,1,0,1|1,0,0]=3 414 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,0,0,1,0,1|1,0,0]=3 415 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,0,0,1,0,1|1,0,0]=3 416 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,0,0,1,0,1|1,0,0]=3 417 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,0,0,1,0,1|1,0,0]=3 418 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,0,0,1,0,1|1,0,0]=3 419 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,0,0,1,0,1|1,0,0]=3 420 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,0,0,1,0,1|1,0,0]=3 421 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,0,0,1,0,1|1,0,0]=3 422 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,0,0,1,0,1|1,0,0]=3 423 B9R1.112 CC(NC1CC1)C(=O)O MC436876 [0,0,0,1,0,1|1,0,0]=3 424 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,0,0,1,0,1|0,0,0]=2 425 B9R1.152 CC1(C(=O)O)CC(N)C1 MC103378 [0,0,0,1,0,1|2,0,0]=4 426 B9R1.152 CC1(C(=O)O)CC(N)C1 MC104860 [0,0,0,1,0,1|2,0,0]=4 427 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104153 [0,0,0,1,0,1|1,0,0]=3 428 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104155 [0,0,0,1,0,1|1,0,0]=3 429 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104156 [0,0,0,1,0,1|1,0,0]=3 430 B9R1.152 NC1(C(=O)O)CC(O)C1 MC110551 [0,0,0,1,0,1|1,0,0]=3 431 B9R1.164 CC1(C)C=C(C(=O)O)C1 MC101960 [0,0,0,1,0,1|1,0,1]=4 432 B9R1.164 CC1(C)CC(C(=O)O)C1 MC444205 [0,0,0,1,0,1|1,0,0]=3 433 B9R1.164 CC1(F)CC(C(=O)O)C1 MC111625 [0,0,0,1,0,1|2,0,0]=4 434 B9R1.164 CC1(F)CC(C(=O)O)C1 MC116400 [0,0,0,1,0,1|2,0,0]=4 435 B9R1.164 CC1(O)CC(C(=O)O)C1 CS16009 [0,0,0,1,0,1|2,0,0]=4 436 B9R1.164 CC1(O)CC(C(=O)O)C1 MC103746 [0,0,0,1,0,1|2,0,0]=4 437 B9R1.41 CN1CCCC1C(=O)O CS11794 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.41 CN1CCCC1C(=O)O MC437939 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.41 O=C(O)C1NCCC1O MC105345 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.41 O=C(O)C1NCCC1O MC105346 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.41 O=C(O)C1NCCC1O MC105412 [0,1,0,1,0,0|1,0,0]=3 442 B9R1.81 COC(=O)C1CCC1N MC103768 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.101 COC(=O)C(N)C1CC1 MC106086 [0,1,0,1,0,0|0,0,0]=2 444 B9R1.110 NC(C(=O)O)C1CCC1 MC444160 [0,1,0,1,0,0|0,0,0]=2 445 B9R1.110 NC(C(=O)O)C1CCC1 MC444508 [0,1,0,1,0,0|0,0,0]=2 446 B9R1.110 NC(C(=O)O)C1COC1 MC101964 [0,1,0,1,0,0|0,0,0]=2 447 B9R1.111 CC1(C(N)C(=O)O)CC1 MC103432 [0,1,0,1,0,0|0,0,0]=2 448 B9R1.130 CCC1(C(=O)O)CC1F MC102837 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.130 CCC1(C(=O)O)CC1F MC102838 [0,1,0,1,0,0|2,0,0]=4 450 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,0,0,0,0,1|0,0,2]=4 451 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,0,0,0,0,1|1,0,1]=4 452 B7R0.6 CC(=O)NCC(=O)O CS19131 [1,0,0,0,0,1|1,0,1]=4 453 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,0,0,0,0,1|1,0,0]=3 454 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [1,0,0,0,0,1|1,0,1]=4 455 B7R0.6 CC(N)CCC(=O)O MC435302 [1,0,0,0,0,1|1,0,0]=3 456 B7R0.6 CN(C)CCC(=O)O CS12169 [1,0,0,0,0,1|1,0,0]=3 457 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,0,0,0,0,2|0,0,2]=4 458 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,0,0,0,0,2|0,0,2]=4 459 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,0,0,0,0,2|1,0,1]=4 460 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,0,0,0,0,2|1,0,1]=4 461 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,0,0,0,0,2|0,0,0]=2 462 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [0,0,0,0,0,2|2,0,0]=4 463 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,0,0,0,0,2|1,0,0]=3 464 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,0,0,0,0,2|0,0,0]=2 465 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,0,0,0,0,2|0,0,0]=2