0 B6R0.3 C=CC(N)C(=O)O MC21080 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 CC(C)C(C)CO MC113312 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(CN)C(=O)O MC105846 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.3 CC(CN)C(=O)O MC105847 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.3 CC(O)C(N)CO MC438221 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CCC(=O)C(=O)O CS21626 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.3 CCC(Br)C(=O)O MC426015 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.3 CCC(N)B(O)O MC442680 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CCC(N)B(O)O MC442681 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 CCC(N)C(=O)O CS13661 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 CCC(N)C(=O)O CS14054 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 CCC(N)C(=O)O CS14084 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 CCC(N)C(N)=O CS15891 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CCC(N)C(N)=O MC436006 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 CNC(C)C(=O)O MC428068 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 CNC(C)C(=O)O MC428076 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.3 CNC(C)C(=O)O MC428084 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 COC(C)C(=O)O CS14024 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.3 COC(C)C(=O)O MC425243 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.3 CON(C)C(C)=O CS11789 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 C\C=C(\C)B(O)O MC443605 [0,0,0,0,0,0|1,0,3]=4 22 B6R0.3 N#CC(N)C(N)=O MC111521 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.3 NC(=O)C(N)CO MC438160 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.3 NC(CCl)C(=O)O MC436849 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.3 NC(CCl)C(=O)O MC436850 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.3 NC(CCl)C(=O)O MC436851 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.3 NC(CCl)C(=O)O MC436852 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.3 NC(CF)C(=O)O MC437009 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.3 NC(CO)C(=O)O CS14731 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.3 NC(CO)C(=O)O CS18949 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.3 NC(CO)C(=O)O CS19144 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.3 NC(CS)C(=O)O CS19113 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.3 NC(CS)C(=O)O CS19417 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.3 NC(CS)C(=O)O CS19655 [0,0,0,0,0,0|2,0,0]=2 35 B6R0.3 NC(CS)C(=O)O MC428046 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.3 NC(CS)C(=O)O MC436887 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.3 NC(CS)C(=O)O MC436888 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.3 NC(CS)C(=O)O MC439001 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.3 NC(C[SeH])C(=O)O MC435423 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.3 NCC(N)C(=O)O CS14756 [0,0,0,0,0,0|2,0,0]=2 41 B6R0.3 NCC(N)C(=O)O CS19624 [0,0,0,0,0,0|2,0,0]=2 42 B6R0.3 NCC(N)C(=O)O CS19672 [0,0,0,0,0,0|2,0,0]=2 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 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|0,0,2]=3 50 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.1 CCOC(=N)N CS11818 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|1,0,0]=2 55 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.1 COCC(C)O CS20249 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 COCC(C)O CS20309 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 COCC(C)O CS20741 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.1 COCC(N)=S MC102255 [1,0,0,0,0,0|2,1,0]=4 63 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|0,0,2]=3 66 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.1 N#CCC(N)=O CS18594 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.3 CCC(C)[Zn]Br MC121335 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.3 CCC(N)CO CS15119 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.3 CCC(N)CO MC10528 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.3 CCC(N)CO MC20718 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.3 CCC(N)CO MC436159 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.3 CCC(O)CO CS15622 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.3 COC(C)CN CS17733 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.3 COC(C)CO CS12306 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.3 NC(CO)CO CS18352 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 NCC(O)CO CS14832 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.3 NCC(O)CO CS18397 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.3 NCC(O)CO MC20311 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 O=CC(=O)CO MC427604 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 O=CC(Br)C=O CS18151 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.3 O=CC(O)CO MC107096 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.3 O=CC(O)CO MC20361 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.3 O=CC(O)CO MC20362 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.3 OCC(O)CCl CS15061 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.3 OCC(O)CCl MC20314 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.5 CC(=O)C(=O)O MC41939 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.5 CC(Br)C(=O)O MC20444 [1,0,0,0,0,0|1,0,0]=2 92 B5R0.5 CC(C)C(=O)Cl MC40490 [1,0,0,0,0,0|1,0,0]=2 93 B5R0.5 CC(C)C(N)=O CS21696 [1,0,0,0,0,0|1,0,0]=2 94 B5R0.5 CC(Cl)C(=O)O MC20315 [1,0,0,0,0,0|1,0,0]=2 95 B5R0.5 CC(Cl)C(=O)O MC436860 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.5 CC(F)C(=O)O MC429445 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.5 CC(N)B(O)O MC442650 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.5 CC(N)B(O)O MC442679 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.5 CC(N)B(O)O MC442687 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.5 CC(N)C(=O)O CS18992 [1,0,0,0,0,0|1,0,0]=2 101 B5R0.5 CC(N)C(=O)O CS19143 [1,0,0,0,0,0|1,0,0]=2 102 B5R0.5 CC(N)C(=O)O MC428047 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.5 CC(N)C(N)=O CS15732 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.5 CC(N)C(N)=O CS22529 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.5 CC(N)C(N)=O MC436152 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.5 CC(N)C(N)=O MC436153 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.5 CC(O)C(=O)O MC437817 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.5 CN(C)C(=O)Cl MC428263 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.5 CN(C)C(N)=S MC427479 [1,0,0,0,0,0|2,1,0]=4 110 B5R0.5 O=C(O)C(=O)O CS11387 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.5 O=C(O)C(=O)O MC425345 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.5 O=C(O)C(F)F MC20641 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.5 O=C([O-])C(Cl)Cl MC21032 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.5 C#CCC(N)C(=O)O CS13900 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.5 C#CCC(N)C(=O)O MC21037 [0,1,0,0,0,0|1,0,1]=3 116 B7R0.5 C#CCC(N)C(=O)O MC438112 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.5 CCCC(N)C(=O)O CS10518 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.5 CCCC(N)C(=O)O CS17028 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.5 CCCC(N)C(=O)O MC439125 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.5 CCCC(N)C(N)=O MC438024 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.5 COCC(N)C(=O)O CS12183 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.5 COCC(N)C(=O)O CS16755 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.5 COCC(N)C(=O)O CS20335 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.5 CSCC(N)C(=O)O MC439293 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,1,0,0,0,0|1,0,0]=2 127 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.5 N#CCC(N)C(=O)O MC436869 [0,1,0,0,0,0|1,0,1]=3 129 B7R0.5 NC(CCO)C(=O)O CS13886 [0,1,0,0,0,0|1,0,0]=2 130 B7R0.5 NC(CCO)C(=O)O CS16701 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.5 NC(CCO)C(=O)O CS22620 [0,1,0,0,0,0|1,0,0]=2 132 B7R0.5 NCCC(N)C(=O)O CS13874 [0,1,0,0,0,0|1,0,0]=2 133 B7R0.5 NCCC(N)C(=O)O CS15080 [0,1,0,0,0,0|1,0,0]=2 134 B7R0.5 NCCC(N)C(=O)O MC436921 [0,1,0,0,0,0|1,0,0]=2 135 B7R0.5 NCCC(N)C(=O)O MC439091 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.5 NCCC(N)C(=O)O MC439321 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.5 NCCC(O)C(=O)O CS15496 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.5 NCCC(O)C(=O)O CS21759 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.10 C=C(CBr)C(=O)OC CS11592 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.10 CCC(C)C(N)CO CS18903 [0,1,0,0,0,0|1,0,1]=3 143 B7R0.10 CCC(C)C(N)CO MC437812 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.10 CCC(N)C(=O)OC MC436010 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.10 CNC(C)C(=O)OC MC437898 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.10 COC(=O)C(C)CBr MC428281 [0,1,0,0,0,0|1,0,0]=2 148 B7R0.10 COC(=O)C(F)CO CS17081 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.10 COC(=O)C(N)CCl CS22615 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.10 COC(=O)C(N)CCl MC418493 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.10 COC(=O)C(N)CCl MC436854 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.10 COC(=O)C(N)CO CS16778 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.10 COC(=O)C(N)CO CS16785 [0,1,0,0,0,0|2,0,0]=3 154 B7R0.10 COC(=O)C(N)CO CS22621 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.10 COC(=O)C(N)CS CS13863 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.10 COC(=O)C(N)CS MC110561 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.10 COC(=O)C(O)CO MC429048 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.10 CON(C)C(=O)CCl MC33020 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.10 NC(CCl)C(=O)NO MC436853 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.13 CC(C)(CN)C(N)=O CS22038 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.13 CC(C)(CO)C(=O)O CS19743 [0,1,0,0,0,0|1,0,0]=2 162 B7R0.13 CC(N)(CO)C(=O)O MC437944 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.13 CC(N)(CO)C(=O)O MC437946 [0,1,0,0,0,0|1,0,0]=2 164 B7R0.13 CC(N)(CS)C(=O)O MC445186 [0,1,0,0,0,0|1,0,0]=2 165 B7R0.13 CC(O)(CBr)C(=O)O CS14051 [0,1,0,0,0,0|1,0,0]=2 166 B7R0.13 CCC(C)(N)C(=O)O CS16944 [0,1,0,0,0,0|0,0,0]=1 167 B7R0.13 CNC(C)(C)C(=O)O MC437895 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.13 O=C(O)C(F)(F)CBr MC429351 [0,1,0,0,0,0|2,0,0]=3 169 B7R0.15 CCC(CC)C(=O)[O-] MC21097 [0,1,0,0,0,0|0,0,1]=2 170 B7R0.15 CCC(CC)C(C)=O MC425625 [0,1,0,0,0,0|1,0,0]=2 171 B7R0.15 CCC(CN)C(=O)O MC105840 [0,1,0,0,0,0|0,0,0]=1 172 B7R0.15 CCC(CN)C(=O)O MC105841 [0,1,0,0,0,0|0,0,0]=1 173 B7R0.15 CCN(CC)C(=S)[S-] MC20803 [0,1,0,0,0,0|1,2,0]=4 174 B7R0.15 CNC(CO)C(=O)O MC435500 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.15 CNC(CO)C(=O)O MC437945 [0,1,0,0,0,0|1,0,0]=2 176 B7R0.15 COC(OC)C(C)=O MC20526 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,0,0|1,0,0]=2 179 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,0,0|1,0,0]=2 180 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,0,0|1,0,0]=2 181 B7R0.16 CC(C)C(N)B(O)O MC442651 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,0,0|1,0,0]=2 183 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,0,0|1,0,0]=2 185 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,0,0|1,0,0]=2 189 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,0,0|1,0,0]=2 190 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,0,0|1,0,0]=2 191 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,0,0|1,0,0]=2 192 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,0,0|1,0,0]=2 193 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,0,0|1,0,0]=2 194 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,0,0|1,0,0]=2 195 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.16 O=C(O)C(=O)C(Br)Br CS18490 [0,1,0,0,0,0|2,0,1]=4 198 B7R1.4 CC1OCCC1=O CS14135 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.4 CN1CCCC1=O MC41699 [0,0,0,1,0,0|2,0,0]=3 200 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 NC1CONC1=O CS19264 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.4 NC1CONC1=O CS22528 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.4 NC1CONC1=O MC436879 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.4 NN1CCOC1=O MC102926 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.4 O=C1CCC=C1O CS14654 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.4 O=C1CCCC1Br MC445112 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.4 O=C1NCCC1O CS19486 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.4 O=C1NCCC1O MC115910 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.4 O=C1NCCC1O MC444274 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.8 O=C1CCC1CO MC104211 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.8 O=C1CCC1CO MC104212 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.8 O=C1CCC1CO MC104213 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,0|0,0,0]=1 222 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,0|0,0,0]=1 223 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,0|1,0,0]=2 224 B7R1.12 NC(=O)C1CC1F MC102846 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,1,0,0|1,0,0]=2 228 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,1,0,0|1,0,0]=2 229 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.18 CC(O)C1CCC1 CS20672 [0,0,0,1,0,0|1,0,1]=3 234 B7R1.18 NC(=O)C1CNC1 MC10515 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.18 NC(=O)C1CNC1 MC10516 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.18 O=C(O)C1CCC1 CS22786 [0,0,0,1,0,0|0,0,0]=1 237 B7R1.18 O=C(O)C1CCN1 CS16493 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.18 O=C(O)C1CCN1 CS16972 [0,0,0,1,0,0|1,0,0]=2 239 B7R1.18 O=C(O)C1CCN1 CS18844 [0,0,0,1,0,0|1,0,0]=2 240 B7R1.18 O=C(O)C1CCN1 MC436280 [0,0,0,1,0,0|1,0,0]=2 241 B7R1.18 O=C(O)C1CCO1 MC115721 [0,0,0,1,0,0|1,0,0]=2 242 B7R1.18 O=C(O)C1CNC1 CS16485 [0,0,0,1,0,0|1,0,0]=2 243 B7R1.18 O=C(O)C1COC1 CS22389 [0,0,0,1,0,0|1,0,0]=2 244 B7R1.18 O=C(O)C1CSC1 MC100118 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.18 OB(O)C1CCC1 CS12533 [0,0,0,1,0,0|1,0,1]=3 246 B7R1.19 CC1(C(N)=O)CC1 MC106205 [0,0,0,1,0,0|1,0,0]=2 247 B7R1.19 NC1(C(=O)O)CC1 CS16477 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.19 O=C(O)C1(Br)CC1 CS15760 [0,0,0,1,0,0|1,0,0]=2 249 B7R1.19 O=C(O)C1(F)CC1 CS13809 [0,0,0,1,0,0|1,0,0]=2 250 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,0,0,0,0,1|2,0,1]=4 251 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,0,0,0,0,1|2,0,1]=4 252 B7R0.2 COC(=O)CC(=O)O CS13436 [0,0,0,0,0,1|2,0,1]=4 253 B7R0.2 NCC(O)CC(=O)O CS16710 [0,0,0,0,0,1|2,0,0]=3 254 B4R0.1 C#CC(=O)O MC428031 [2,0,0,0,0,0|0,0,2]=4 255 B4R0.1 C#CC(C)O MC427719 [2,0,0,0,0,0|0,0,2]=4 256 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,1]=4 257 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,1]=4 258 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,1]=4 259 B4R0.1 CC(C)=NO CS10884 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.1 CC(C)C#N MC41920 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.1 CC(C)NN CS11525 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.1 CC(C)ON CS13668 [2,0,0,0,0,0|2,0,0]=4 263 B4R0.1 CC(C)[Zn]Br MC121350 [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|2,0,0]=4 267 B4R0.1 CC(N)CN MC10147 [2,0,0,0,0,0|2,0,0]=4 268 B4R0.1 CC(N)CO CS14182 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.1 CC(N)CO CS19476 [2,0,0,0,0,0|1,0,1]=4 270 B4R0.1 CC(N)CO CS21310 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.1 CC(O)CCl MC20696 [2,0,0,0,0,0|1,0,0]=3 272 B4R0.1 CC(O)CCl MC20697 [2,0,0,0,0,0|1,0,0]=3 273 B4R0.1 CC(O)CN CS14075 [2,0,0,0,0,0|1,0,0]=3 274 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|0,0,0]=2 277 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 NC(=O)CBr CS21389 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|1,0,0]=3 282 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|1,0,1]=4 283 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.1 O=C(Cl)CBr MC21000 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|1,0,0]=3 288 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|1,0,0]=3 289 B4R0.1 O=C([O-])CCl MC41872 [2,0,0,0,0,0|1,0,1]=4 290 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,0]=2 292 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|0,0,1]=3 293 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,2]=4 298 B6R0.1 C#CC(=O)OCC MC434052 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.1 CCCC(=O)NN CS22544 [1,1,0,0,0,0|1,0,0]=3 300 B6R0.1 CCCC(O)CO CS20495 [1,1,0,0,0,0|0,0,2]=4 301 B6R0.1 CCNC(=O)NC MC428152 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.1 CCOC(=O)CBr MC41907 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.1 CCOC(=O)CCl MC41910 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.1 CCOC(=O)CN CS15347 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.1 CCOC(=O)NN CS11383 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.1 CNC(=O)CCN MC112263 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.1 COC(=O)CC#N MC428339 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.1 COC(=O)CCBr CS18993 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.1 COC(=O)CCN CS22266 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.1 COCC(=O)NN CS11580 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.1 C\C=C\C(=O)OC MC41953 [1,1,0,0,0,0|0,0,2]=4 314 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|0,0,0]=2 315 B6R0.2 CC(Br)CC(N)=S MC106193 [1,1,0,0,0,0|1,1,0]=4 316 B6R0.2 CC(C)=CC(=O)O CS14947 [1,1,0,0,0,0|0,0,2]=4 317 B6R0.2 CC(C)CB(O)O CS22276 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|0,0,0]=2 319 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|0,0,0]=2 320 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|0,0,0]=2 321 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|0,0,0]=2 322 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|0,0,0]=2 323 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,1,0,0,0,0|0,0,1]=3 324 B6R0.2 CN(C)CC(=O)O CS13413 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.2 NC([SeH])CC(=O)O MC435590 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.2 NC([SeH])CC(=O)O MC435591 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.2 O=C(O)CC(=O)O MC41922 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.2 O=C(O)CC(=O)O MC41938 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.4 C#CCCC(=O)Cl MC106035 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.4 C#CCCC(=O)O MC428029 [1,1,0,0,0,0|0,0,1]=3 331 B6R0.4 C#CCCC(N)=O MC106194 [1,1,0,0,0,0|1,0,1]=4 332 B6R0.4 C=CCCC(=O)O CS15216 [1,1,0,0,0,0|0,0,1]=3 333 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.4 CC(=O)NCCCl MC33011 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.4 CCCCC(=O)Cl MC40508 [1,1,0,0,0,0|1,0,0]=3 337 B6R0.4 N#CCCC(=O)O CS22262 [1,1,0,0,0,0|0,0,1]=3 338 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|0,0,0]=2 339 B6R0.4 NCCCC(N)=O MC112262 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.4 O=C(Cl)CCCCl MC40450 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|0,0,0]=2 342 B6R0.5 CCCS(=O)(=O)Cl MC20992 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.5 CCCS(=O)(=O)O MC32073 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.5 CCCS(N)(=O)=O MC32075 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.5 CNCP(=O)(O)O MC101885 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.8 C#CC(C)(N)CC CS22059 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.8 CC(C)(C=O)CO MC21089 [1,1,0,0,0,0|1,0,0]=3 349 B6R0.8 CC(C)(CN)CO CS22037 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.8 CCC(Br)(Br)C=O MC106928 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.8 CCC(C)(N)C#N CS17000 [1,1,0,0,0,0|1,0,1]=4 352 B6R0.7 CC(=O)C(C)(C)C MC41940 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.7 CC(C)(Br)C(=O)O CS21332 [1,1,0,0,0,0|0,0,0]=2 355 B6R0.7 CC(C)(C)C(=O)O CS11866 [1,1,0,0,0,0|0,0,0]=2 356 B6R0.7 CC(C)(C)S(N)=O CS13893 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.7 CC(C)(C)S(N)=O CS18738 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.7 CC(C)(C)S(N)=O CS22549 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.7 CC(C)(N)C(=O)O CS15358 [1,1,0,0,0,0|0,0,0]=2 360 B6R0.7 CC(C)S(=O)(=O)Cl MC33026 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.7 CC(C)S(N)(=O)=O CS15962 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.7 O=C(O)C(F)(F)F MC32019 [1,1,0,0,0,0|2,0,0]=4 363 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,1,0,0,0,1|0,0,0]=2 364 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,1,0,0,0,1|0,0,0]=2 365 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,1,0,0,0,1|0,0,0]=2 366 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,1,0,0,0,1|0,0,0]=2 367 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,1,0,0,0,1|0,0,0]=2 368 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,1,0,0,0,1|0,0,0]=2 369 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [0,1,0,0,0,1|1,0,0]=3 370 B8R0.2 COC(C)C(N)C(=O)O MC439018 [0,1,0,0,0,1|1,0,0]=3 371 B8R0.2 O=C(O)C(O)C(O)CO MC20861 [0,1,0,0,0,1|2,0,0]=4 372 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,1,0,0,0,1|1,0,1]=4 373 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,1,0,0,0,1|2,0,0]=4 374 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,1|0,0,0]=2 375 B8R0.3 C#CCC(N)C(=O)OC MC438113 [0,2,0,0,0,0|1,0,1]=4 376 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,2,0,0,0,0|1,0,0]=3 377 B8R0.3 CCNC(=O)C(N)CC MC116564 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.3 CCNC(=O)C(N)CC MC116565 [0,2,0,0,0,0|2,0,0]=4 379 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,2,0,0,0,0|1,0,1]=4 380 B8R0.3 CCOC(=O)C(C)C#N CS21515 [0,2,0,0,0,0|1,0,1]=4 381 B8R0.3 CCOC(=O)C(N)CO CS13449 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.3 CCOC(=O)C(N)CO CS17107 [0,2,0,0,0,0|2,0,0]=4 383 B8R0.3 CCOC(=O)C(N)CO MC439193 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.3 CCOC(=O)C(N)CS CS16176 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,2,0,0,0,0|1,0,0]=3 386 B8R0.3 COC(=O)C(C)NC=O MC437638 [0,2,0,0,0,0|1,0,1]=4 387 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,2,0,0,0,0|1,0,0]=3 389 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,2,0,0,0,0|1,0,0]=3 390 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,2,0,0,0,0|1,0,0]=3 393 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,2,0,0,0,0|2,0,0]=4 396 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,2,0,0,0,0|1,0,0]=3 397 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,2,0,0,0,0|1,0,0]=3 398 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,2,0,0,0,0|1,0,0]=3 399 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,2,0,0,0,0|1,0,0]=3 400 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,2,0,0,0,0|1,0,0]=3 401 B8R0.8 NOCCC(N)C(=O)O MC100566 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.8 NOCCC(N)C(=O)O MC114097 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.12 C=CCC(C)(C)C(=O)O MC20650 [0,2,0,0,0,0|0,0,1]=3 404 B8R0.12 CC(C)(CCN)C(=O)O MC442790 [0,2,0,0,0,0|0,0,0]=2 405 B8R0.12 COCC(F)(F)C(=O)O MC104134 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,2,0,0,0,0|0,0,0]=2 407 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,2,0,0,0,0|0,0,0]=2 408 B8R0.13 COC(=O)C(C)(C)CO CS11468 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.20 CCN(CC)C(=O)CCl MC21099 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.20 CNC(CO)C(=O)OC MC435501 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.20 CNC(CO)C(=O)OC MC435502 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.20 COC(=O)C(CN)CN MC115963 [0,2,0,0,0,0|1,0,0]=3 413 B8R0.36 CC(CO)(CO)C(=O)O CS20965 [0,2,0,0,0,0|1,0,0]=3 414 B8R0.36 CCC(C)(CC)C(=O)O MC105694 [0,2,0,0,0,0|0,0,0]=2 415 B8R0.36 CCC(N)(CC)C(=O)O MC439327 [0,2,0,0,0,0|0,0,0]=2 416 B8R0.36 COC(C)(OC)C(C)=O CS21903 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.37 CC(=O)C(C)(C)C(C)=O MC445207 [0,2,0,0,0,0|1,0,1]=4 418 B8R0.37 CC(C)C(C)(N)C(=O)O MC437991 [0,2,0,0,0,0|0,0,0]=2 419 B8R0.37 CC(C)C(C)(N)C(=O)O MC437992 [0,2,0,0,0,0|0,0,0]=2 420 B8R0.37 CC(C)C(C)(N)C(=O)O MC437993 [0,2,0,0,0,0|0,0,0]=2 421 B8R0.37 CC(C)C(C)(N)C(N)=O CS14313 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.37 CC(C)C(C)(O)C(=O)O MC100317 [0,2,0,0,0,0|0,0,0]=2 423 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.27 CC(C)(F)C(N)C(=O)O MC429244 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.27 CC(C)(S)C(N)C(=O)O MC438067 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.27 NC(C(=O)O)C(F)(F)F MC426112 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.27 NC(C(=O)O)C(F)(F)F MC429270 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.18 CNC(C(=O)O)C(C)C MC437989 [0,2,0,0,0,0|0,0,0]=2 432 B8R0.18 CNC(C(=O)O)C(C)C MC437990 [0,2,0,0,0,0|0,0,0]=2 433 B8R0.18 CNC(C(=O)O)C(C)O MC435508 [0,2,0,0,0,0|0,0,0]=2 434 B8R0.18 CNC(C(=O)O)C(C)O MC437968 [0,2,0,0,0,0|0,0,0]=2 435 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|2,0,0]=4 436 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|1,0,1]=4 437 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,1,0,0|2,0,0]=4 438 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|1,0,0]=3 439 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|2,0,0]=4 440 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|2,0,0]=4 441 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|2,0,0]=4 442 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.2 O=C1NCCS1 CS20525 [1,0,0,1,0,0|1,1,0]=4 445 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|1,0,0]=3 446 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,1,0,0|2,0,0]=4 447 B6R1.5 O=C1CC(F)C1 MC104154 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.11 N=C(N)C1CC1 CS16535 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.11 NC(=O)C1CC1 CS16456 [1,0,0,1,0,0|1,0,0]=3 450 B6R1.11 NC(=S)C1CC1 MC21067 [1,0,0,1,0,0|1,1,0]=4 451 B6R1.11 O=C(Cl)C1CC1 MC434039 [1,0,0,1,0,0|1,0,0]=3 452 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|0,0,0]=2 453 B6R1.11 O=C([O-])C1CO1 CS17514 [1,0,0,1,0,0|1,0,1]=4 454 B6R1.11 OB(O)C1CC1 MC20194 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.4 CC1COC1=O MC121237 [1,0,0,1,0,0|1,0,0]=3 456 B6R1.4 NC1CCC1O MC111877 [1,0,0,1,0,0|1,0,1]=4 457 B6R1.6 BrCC1CCC1 MC10470 [1,0,0,1,0,0|1,0,1]=4 458 B6R1.6 CNC1COC1 MC425340 [1,0,0,1,0,0|1,0,1]=4 459 B6R1.6 CNC1COC1 MC444120 [1,0,0,1,0,0|1,0,1]=4 460 B6R1.6 Cl[Zn]C1CCC1 MC121327 [1,0,0,1,0,0|2,0,0]=4 461 B6R1.6 ICC1COC1 MC101907 [1,0,0,1,0,0|1,0,1]=4 462 B6R1.6 NCC1CCC1 CS11178 [1,0,0,1,0,0|1,0,1]=4 463 B6R1.6 NCC1COC1 MC10517 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.6 NNC1CCC1 MC111229 [1,0,0,1,0,0|2,0,0]=4 465 B6R1.6 OCC1CCN1 CS15230 [1,0,0,1,0,0|1,0,1]=4 466 B6R1.6 OCC1CCN1 MC102029 [1,0,0,1,0,0|1,0,1]=4 467 B6R1.6 OCC1CCN1 MC102030 [1,0,0,1,0,0|1,0,1]=4 468 B6R1.6 OCC1CCO1 CS15009 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.6 OCC1CNC1 CS12891 [1,0,0,1,0,0|1,0,1]=4 470 B6R1.6 OCC1CNC1 MC444028 [1,0,0,1,0,0|1,0,1]=4 471 B6R1.6 OCC1COC1 CS14670 [1,0,0,1,0,0|1,0,1]=4 472 B6R1.7 NC1(CO)CC1 CS13349 [1,0,0,1,0,0|1,0,1]=4 473 B6R1.7 NC1(CO)CC1 MC113084 [1,0,0,1,0,0|1,0,1]=4 474 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,0,0,1,0,1|2,0,0]=4 475 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,0,0,1,0,1|2,0,0]=4 476 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,0,0,1,0,1|2,0,0]=4 477 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,0,0,1,0,1|2,0,0]=4 478 B8R1.1 NCC1COC(=O)N1 MC104254 [0,0,0,1,0,1|1,0,0]=3 479 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,0,0,1,0,1|1,0,0]=3 480 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,0,0,1,0,1|2,0,0]=4 481 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,0,0,1,0,1|2,0,0]=4 482 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,0,0,1,0,1|1,0,0]=3 483 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,0,0,1,0,1|2,0,0]=4 484 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,0,0,1,0,1|2,0,0]=4 485 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,0,0,1,0,1|2,0,0]=4 486 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,0,0,1,0,1|2,0,0]=4 487 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,0,0,1,0,1|2,0,0]=4 488 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,0,0,1,0,1|2,0,0]=4 489 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,0,0,1,0,1|2,0,0]=4 490 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,0,0,1,0,1|2,0,0]=4 491 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,0,0,1,0,1|2,0,0]=4 492 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,0,0,1,0,1|2,0,0]=4 493 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,0,0,1,0,1|1,0,0]=3 494 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,0,0,1,0,1|2,0,0]=4 495 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,0,0,1,0,1|2,0,0]=4 496 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,0,0,1,0,1|0,0,2]=4 497 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,0,0,1,0,1|1,0,1]=4 498 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,0,0,1,0,1|1,0,1]=4 499 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,0,0,1,0,1|1,0,1]=4 500 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,0,0,1,0,1|1,0,1]=4 501 B8R1.31 NC1CCC1C(=O)O MC104253 [0,0,0,1,0,1|1,0,0]=3 502 B8R1.31 NC1CCC1C(=O)O MC104335 [0,0,0,1,0,1|1,0,0]=3 503 B8R1.31 NC1CCC1C(=O)O MC104421 [0,0,0,1,0,1|1,0,0]=3 504 B8R1.31 NC1CCC1C(=O)O MC105420 [0,0,0,1,0,1|1,0,0]=3 505 B8R1.34 CC(=O)SC1CNC1 MC103969 [0,0,0,1,0,1|2,0,0]=4 506 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,0,0,1,0,1|0,0,0]=2 507 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,0,0,1,0,1|1,0,0]=3 508 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,0,0,1,0,1|1,0,0]=3 509 B8R1.34 O=C(O)CC1COC1 MC444158 [0,0,0,1,0,1|1,0,0]=3 510 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.5 CC1CCNCC1O MC103744 [0,1,0,1,0,0|1,0,1]=4 512 B8R1.5 CC1CCNCC1O MC103745 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.5 CC1CCNCC1O MC105563 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.5 CC1CCNCC1O MC105564 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.5 CC1CCNCC1O MC444275 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.5 O=C1CCNCC1Br MC106749 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.7 O=C(O)C1C=CCN1 MC436934 [0,1,0,1,0,0|0,0,2]=4 534 B8R1.7 O=C(O)C1C=CCN1 MC436935 [0,1,0,1,0,0|0,0,2]=4 535 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,1,0,0|0,0,0]=2 536 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,1,0,0|0,0,0]=2 537 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,1,0,0|0,0,0]=2 538 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,1,0,0|0,0,0]=2 539 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,1,0,0|0,0,0]=2 540 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,1,0,0|0,0,0]=2 541 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,1,0,0|0,0,0]=2 542 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,1,0,0|0,0,0]=2 543 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,1,0,0|0,0,0]=2 544 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,1,0,0|0,0,0]=2 545 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.7 O=C([O-])C1CSCN1 MC436714 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.7 OB(O)C1CCOC1 MC114068 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,1,0,1,0,0|0,0,1]=3 551 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,1,0,1,0,0|0,0,0]=2 552 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,1,0,1,0,0|0,0,0]=2 553 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,1,0,1,0,0|0,0,0]=2 554 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,1,0,1,0,0|0,0,0]=2 555 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,1,0,1,0,0|0,0,0]=2 556 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,1,0,1,0,0|0,0,0]=2 557 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,1,0,1,0,0|0,0,0]=2 558 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,1,0,1,0,0|0,0,0]=2 559 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,1,0,1,0,0|0,0,0]=2 560 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,1,0,1,0,0|0,0,0]=2 561 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,1,0,1,0,0|0,0,0]=2 562 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,1,0,1,0,0|0,0,0]=2 563 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,1,0,1,0,0|0,0,0]=2 564 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,1,0,1,0,0|0,0,0]=2 565 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,1,0,1,0,0|0,0,1]=3 566 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.30 CC1(C(=O)O)CC1F MC102835 [0,1,0,1,0,0|0,0,0]=2 568 B8R1.30 CC1(C(=O)O)CC1F MC102836 [0,1,0,1,0,0|0,0,0]=2 569 B8R1.54 CC(B(O)O)C1CC1 MC429830 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.78 CC(=O)C1(C)COC1 MC444075 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [0,1,0,1,0,0|0,0,0]=2 573 B8R1.78 CC1(C(=O)O)COC1 MC444297 [0,1,0,1,0,0|0,0,0]=2 574 B8R1.78 NC(=O)C1(N)CCC1 MC106178 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [0,1,0,1,0,0|0,0,0]=2 576 B8R1.78 NC1(C(=O)O)CNC1 MC113165 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.78 NC1(C(=O)O)COC1 MC444235 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.78 NC1(C(=O)O)CSC1 MC100257 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.78 O=C(O)C1(F)CNC1 MC103706 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.11 N#CC1CCCC1=O CS20047 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.11 O=C1NCCC1CO MC104392 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.38 COC(=O)C1CNC1 CS13402 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.38 COC(=O)C1COC1 MC100370 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.39 COC(=O)C1(Br)CC1 CS14399 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.39 COC(=O)C1(N)CC1 CS20598 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,1,0,0|0,0,1]=3 587 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.50 CN1CCN(C)C1=O CS16948 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.63 N#CC1(C(=O)O)CC1 MC41838 [0,1,0,1,0,0|0,0,1]=3 591 B8R1.63 NCC1(C(N)=O)CC1 MC443195 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.63 O=C(O)C1(CF)CC1 MC116220 [0,1,0,1,0,0|0,0,0]=2 593 B8R1.70 CC1(S(N)(=O)=O)CC1 CS12815 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,1,0,1,0,0|0,0,0]=2 595 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.77 O=C(O)C1CC1(F)F MC429774 [0,1,0,1,0,0|1,0,0]=3 598 B8R2.66 O=C(O)C12CC1C2 MC104145 [0,0,0,2,0,0|0,0,0]=2