0 B6R0.3 C(F)(F)C(=O)OC 006791 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C=C(C)C(=O)NC 241594 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.3 C=C(C)C(=O)OC 995248 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.3 C=C(F)C(=O)OC 092134 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.3 C=CC(=O)N(C)C 046781 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 CC(=O)\C(C)=N\O 099089 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.3 CC(C)C(=O)CBr 079016 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.3 CC(C)C(=O)NN 019317 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.3 CCC(=O)C(C)=O 464570 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CCC(=O)C(C)C 386812 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 CCC(=O)N(C)C 235586 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 CN(C)C(=O)CBr 043801 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.3 CN(C)C(=O)CCl 067830 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.3 CN(C)C(=O)CN 463150 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CNC(=O)C(=O)O 023479 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.3 CNC(=O)C(C)Br 369255 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.3 CNC(=O)C(C)C 541993 [0,0,0,0,0,0|1,0,2]=3 17 B6R0.3 CNC(=O)C(C)Cl 310451 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 CNC(=O)C(F)Br 034756 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 COC(=O)C(=O)Cl 386747 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 COC(=O)C(C)=O 094169 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.3 COC(=O)C(C)Br 006778 [0,0,0,0,0,0|1,0,1]=2 22 B6R0.3 COC(=O)C(C)C 097703 [0,0,0,0,0,0|0,0,2]=2 23 B6R0.3 COC(=O)C(C)Cl 239017 [0,0,0,0,0,0|1,0,1]=2 24 B6R0.3 COC(=O)C(C)N 003683 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.3 COC(=O)C(C)N 003684 [0,0,0,0,0,0|1,0,1]=2 26 B6R0.3 COC(=O)C(C)O 103470 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.3 COC(=O)C(Cl)Cl 340479 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.3 COC(=O)[C@@H](C)N 005452 [0,0,0,0,0,0|1,0,1]=2 30 B6R0.3 COC(=O)[C@@H](C)O 219745 [0,0,0,0,0,0|1,0,1]=2 31 B6R0.3 COC(=O)[C@H](C)Cl 328935 [0,0,0,0,0,0|1,0,1]=2 32 B6R0.3 COC(=O)[C@H](C)O 099823 [0,0,0,0,0,0|1,0,1]=2 33 B6R0.3 CON(C)C(C)=O 153700 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.3 C\C=C(/C)C(=O)O 099810 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.1 C=C(C)CCBr 223736 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 C=C(C)CCO 358461 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 C=C(C)OCC 471668 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 CC(C)=CC=O 386384 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CC(C)=CCBr 053316 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CC(C)=CCCl 349314 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CC(C)=CCO 358414 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CCOC(C)=N 239394 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CCOC(C)=O 035909 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCOC(C)=O 099553 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CCOC(C)=O 099895 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 COCC(=O)Cl 053542 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 COCC(=O)O 237785 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 COCC(C)=O 002450 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 COCC(C)N 402335 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.1 COCC(C)O 093985 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 COC[C@@H](C)N 079780 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 COC[C@@H](C)O 036090 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.1 C\C=C\C(=O)Cl 358246 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 C\C=C\C(=O)O 092792 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.3 C#CC(=O)OC 067148 [1,0,0,0,0,0|0,0,2]=3 56 B5R0.3 C=CC(=O)NN 094243 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 C=CC(=O)OC 520477 [1,0,0,0,0,0|0,0,0]=1 58 B5R0.3 C=CC(O)CC 464567 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.3 CCC(=O)CBr 002514 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 CCC(=O)CC 094591 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.3 CCC(=O)NC 103047 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.3 CCC(=O)NN 026652 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 CCS(=O)CC 094782 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 CNC(=O)CBr 043828 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 CNC(=O)CCl 094091 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 CNC(=O)CN 075035 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 CNC(=O)NC 358273 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.3 CNC(=S)NC 349139 [1,0,0,0,0,0|2,1,0]=4 69 B5R0.3 COC(=O)C#N 102552 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.3 COC(=O)CBr 006774 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.3 COC(=O)CCl 095344 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.3 COC(=O)CI 103193 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.3 COC(=O)CN M03021 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.3 COC(=O)CO 227696 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.3 COC(=O)CS 011917 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.3 COC(=O)NN 094656 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.3 COC(=O)OC 094559 [1,0,0,0,0,0|1,0,0]=2 78 B5R0.3 COC(=O)SCl 002587 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.3 COC(C)OC 104486 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 COS(=O)OC 094292 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.3 CO[PH](=O)OC 098972 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.3 C\C=C(/C)C=O 245796 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.3 O=C(O[Ag])O[Ag] 051244 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.5 C=C(C)C(=C)C 104405 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.5 C=C(C)C(=O)Cl 152770 [1,0,0,0,0,0|1,0,0]=2 86 B5R0.5 C=C(C)C(=O)O 098014 [1,0,0,0,0,0|0,0,0]=1 87 B5R0.5 C=C(C)C(=O)[O-] 461655 [1,0,0,0,0,0|0,0,1]=2 88 B5R0.5 C=C(C)C(C)=O 155400 [1,0,0,0,0,0|0,0,0]=1 89 B5R0.5 C=C(C)C(N)=O 098987 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.5 CC(=O)C(=O)O 168700 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.5 CC(=O)C(=O)[O-] 169520 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.5 CC(=O)C(C)=O 099488 [1,0,0,0,0,0|1,0,0]=2 93 B5R0.5 CC(=O)C(C)C 098965 [1,0,0,0,0,0|0,0,2]=3 94 B5R0.5 CC(=O)C(C)Cl 520345 [1,0,0,0,0,0|1,0,1]=3 95 B5R0.5 CC(=O)C(C)O 449308 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.5 CC(=O)C(F)F 025165 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.5 CC(=O)N(C)C 044923 [1,0,0,0,0,0|1,0,1]=3 98 B5R0.5 CC(=O)N(C)C 103880 [1,0,0,0,0,0|1,0,1]=3 99 B5R0.5 CC(=O)N(C)C 105121 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.5 CC(Br)C(=O)Br BR1124 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.5 CC(Br)C(=O)O BR1120 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.5 CC(Br)C(N)=O 222852 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.5 CC(C)=C(C)C 358426 [1,0,0,0,0,0|1,0,1]=3 104 B5R0.5 CC(C)C(=O)Cl 005019 [1,0,0,0,0,0|1,0,2]=4 105 B5R0.5 CC(C)C(=O)O 099395 [1,0,0,0,0,0|0,0,2]=3 106 B5R0.5 CC(C)C(N)=O 091536 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.5 CC(Cl)C(=O)Cl 099576 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.5 CC(Cl)C(=O)O 240303 [1,0,0,0,0,0|1,0,1]=3 109 B5R0.5 CC(Cl)C(N)=O 369655 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.5 CC(F)C(=O)O 024847 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.5 CC(N)C(=O)O 094978 [1,0,0,0,0,0|1,0,1]=3 112 B5R0.5 CC(O)C(=O)O 995229 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.5 CC(O)C(=O)[O-] 492494 [1,0,0,0,0,0|1,0,2]=4 114 B5R0.5 CC(O)C(N)=O 341750 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.5 CC(S)C(=O)O 520330 [1,0,0,0,0,0|1,0,1]=3 116 B5R0.5 CN(C)C(=O)Cl 051099 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.5 CN(C)C(N)=O 342088 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.5 C[C@@H](N)C(=O)O M02932 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.5 C[C@@H](N)C(N)=O 076723 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.5 C[C@@H](O)C(=O)O 208594 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.5 C[C@@H](O)C(N)=O 094768 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.5 C[C@H](Br)C(=O)O 094052 [1,0,0,0,0,0|1,0,1]=3 125 B5R0.5 C[C@H](Cl)C(=O)O 216004 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.5 C[C@H](N)C(=O)O 080323 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.5 C[C@H](N)C(N)=O 092189 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.5 C[C@H](O)C(=O)O 103316 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [1,0,0,0,0,0|1,0,2]=4 130 B5R0.5 N=C(N)S(=O)O 358143 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.5 NC(=O)C(=O)O 240454 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.5 NC(=O)C(N)=O 494123 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.5 O=C(Br)C(=O)Br 099479 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.5 O=C(Cl)C(=O)Cl 003771 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.5 O=C(O)C(=O)O 094439 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.5 O=C(O)C(=O)O 099499 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.5 O=C(O)C(=O)O 099742 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.5 O=C(O)C(=O)O 099890 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.5 O=C(O)C(=O)O 242472 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.5 O=C(O)C(=O)O 360255 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.5 O=C(O)C(=O)O 492395 [1,0,0,0,0,0|2,0,0]=3 142 B5R0.5 O=C(O)C(Br)Br 103029 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.5 O=C(O)C(Cl)Cl 095059 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.5 O=C(O)C(F)F 001231 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.5 O=C(O)C(F)F 019092 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.5 O=C(O)C(O)O 143700 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.5 O=C([O-])C(=O)[O-] 104091 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.5 O=C([O-])C(=O)[O-] 492462 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.5 C(F)(Br)C(=O)OCC 003215 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.5 C(F)(Cl)C(=O)OCC 003216 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.5 C(F)(F)C(=O)OCC 003219 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.5 C=C(C)C(=O)OCC 098938 [0,1,0,0,0,0|0,0,0]=1 153 B7R0.5 C=COC(=O)C(=C)C 106340 [0,1,0,0,0,0|0,0,1]=2 154 B7R0.5 CC(C)C(=O)OCCl 424728 [0,1,0,0,0,0|0,0,2]=3 155 B7R0.5 CCCC(=O)C(C)=O 099591 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.5 CCOC(=O)C(=O)Cl 024489 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.5 CCOC(=O)C(C)=O 033125 [0,1,0,0,0,0|1,0,0]=2 158 B7R0.5 CCOC(=O)C(C)Br 006095 [0,1,0,0,0,0|1,0,1]=3 159 B7R0.5 CCOC(=O)C(C)C 094936 [0,1,0,0,0,0|0,0,2]=3 160 B7R0.5 CCOC(=O)C(C)Cl 098895 [0,1,0,0,0,0|1,0,1]=3 161 B7R0.5 CCOC(=O)C(C)F 038173 [0,1,0,0,0,0|1,0,1]=3 162 B7R0.5 CCOC(=O)C(C)N 003681 [0,1,0,0,0,0|1,0,1]=3 163 B7R0.5 CCOC(=O)C(C)S 101529 [0,1,0,0,0,0|1,0,1]=3 164 B7R0.5 CCOC(=O)C(F)I 009177 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.5 CCOC(=O)C(N)=O 221464 [0,1,0,0,0,0|2,0,0]=3 166 B7R0.5 CCOC(=O)C(N)=S 078641 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.5 CCOC(=O)[C@H](C)N 003682 [0,1,0,0,0,0|1,0,1]=3 168 B7R0.5 CCOC(=O)[C@H](C)O 095008 [0,1,0,0,0,0|1,0,1]=3 169 B7R0.5 CN(C)C(=O)CCCl 310539 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.10 C=C(CBr)C(=O)OC 092639 [0,1,0,0,0,0|0,0,0]=1 171 B7R0.10 C=C(CO)C(=O)OC 092849 [0,1,0,0,0,0|0,0,0]=1 172 B7R0.10 CCC(=O)C(=O)CC 464571 [0,1,0,0,0,0|2,0,0]=3 173 B7R0.10 CCC(=O)N(C)OC 306492 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.10 CCC(Br)C(=O)OC 006777 [0,1,0,0,0,0|1,0,1]=3 175 B7R0.10 CCC(C)C(=O)NC 102997 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.10 CCC(C)C(=O)OC 035885 [0,1,0,0,0,0|0,0,2]=3 177 B7R0.10 CCC(N)C(=O)OC 241817 [0,1,0,0,0,0|1,0,1]=3 178 B7R0.10 COC(=O)C(=O)CBr 214615 [0,1,0,0,0,0|1,0,0]=2 179 B7R0.10 COC(=O)C(=O)OC 094727 [0,1,0,0,0,0|1,0,0]=2 180 B7R0.10 COC(=O)[C@@H](C)CBr 053967 [0,1,0,0,0,0|0,0,2]=3 181 B7R0.10 COC(=O)[C@@H](N)CCl 390254 [0,1,0,0,0,0|1,0,1]=3 182 B7R0.10 COC(=O)[C@@H](N)CO M03012 [0,1,0,0,0,0|1,0,1]=3 183 B7R0.10 COC(=O)[C@@H](N)CS 045338 [0,1,0,0,0,0|1,0,1]=3 184 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,1,0,0,0,0|1,0,1]=3 185 B7R0.10 COC(=O)[C@H](C)CBr 104234 [0,1,0,0,0,0|0,0,2]=3 186 B7R0.10 COC(=O)[C@H](N)CO 045371 [0,1,0,0,0,0|1,0,1]=3 187 B7R0.10 CON(C)C(=O)CCl 230712 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.10 C\C=C(/C)C(=O)OC 099352 [0,1,0,0,0,0|0,0,0]=1 189 B7R0.10 O=C(CBr)C(=O)CBr 240795 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.14 CNC(=O)C(C)(C)Br 216731 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.14 COC(=O)C(C)(C)Br 235671 [0,1,0,0,0,0|0,0,2]=3 192 B7R0.14 COC(=O)C(C)(C)C 002957 [0,1,0,0,0,0|0,0,2]=3 193 B7R0.14 COC(=O)C(C)(C)F 208685 [0,1,0,0,0,0|0,0,2]=3 194 B7R0.14 COC(=O)C(C)(C)N 078725 [0,1,0,0,0,0|0,0,2]=3 195 B7R0.14 COC(=O)C(C)(C)O 240986 [0,1,0,0,0,0|0,0,2]=3 196 B7R0.14 COC(=O)C(C)(F)F 094170 [0,1,0,0,0,0|1,0,1]=3 197 B7R0.14 COC(=O)C(F)(F)Cl 001776 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.14 COC(=O)C(F)(F)F 001026 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.15 COC(OC)C(C)=O 095023 [0,1,0,0,0,0|1,0,2]=4 200 B7R0.16 CC(Br)C(=O)N(C)C 310622 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.16 CC(C)=C(Cl)N(C)C 005428 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.16 CC(C)C(=O)C(C)C 094125 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.16 CC(C)C(=O)N(C)C 005868 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.16 CC(Cl)C(=O)N(C)C 103466 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.16 CN(C)C(=O)C(=O)O 023520 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.16 CN(C)C(=O)N(C)C 094805 [0,1,0,0,0,0|2,0,1]=4 207 B7R1.4 CC1=C(Br)SC=C1 013451 [0,0,0,1,0,0|1,1,1]=4 208 B7R1.4 CC1=C(Cl)SC=C1 024249 [0,0,0,1,0,0|1,1,1]=4 209 B7R1.4 CC1=CNN=C1O 312908 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.4 CC1=CSC=C1Br 024231 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.4 CC1CCCC1=O 217631 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.4 CC1CCOC1=O 092467 [0,0,0,1,0,0|0,0,2]=3 213 B7R1.4 CN1CCCC1=O 035918 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.4 CN1CCCC1=O 041934 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.4 CN1CCNC1=O 091683 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.4 NC1CCNC1=O 047644 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.4 NC1CCOC1=O 432676 [0,0,0,1,0,0|1,0,1]=3 218 B7R1.4 N[C@H]1CCOC1=O 078519 [0,0,0,1,0,0|1,0,1]=3 219 B7R1.4 O=C1NCCC1O 093757 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.22 CNC(=O)C1CC1 527999 [0,0,0,1,0,0|1,0,2]=4 221 B7R1.22 COC(=O)C1CC1 022090 [0,0,0,1,0,0|0,0,2]=3 222 B7R1.22 COC(=O)[C@H]1CO1 225417 [0,0,0,1,0,0|1,0,1]=3 223 B7R1.22 [C@@H]1(C(=O)OC)CO1 493582 [0,0,0,1,0,0|1,0,1]=3 224 B7R0.2 CNC(=O)CC(C)=O 240984 [0,0,0,0,0,1|2,0,0]=3 225 B7R0.2 COC(=O)C=C(C)C 358413 [0,0,0,0,0,1|0,0,1]=2 226 B7R0.2 COC(=O)CC(=O)Cl 013167 [0,0,0,0,0,1|2,0,0]=3 227 B7R0.2 COC(=O)CC(=O)O 227679 [0,0,0,0,0,1|2,0,0]=3 228 B7R0.2 COC(=O)CC(=O)[O-] 092550 [0,0,0,0,0,1|2,0,0]=3 229 B7R0.2 COC(=O)CC(C)=O 094497 [0,0,0,0,0,1|1,0,0]=2 230 B7R0.2 COC(=O)CC(C)C 046834 [0,0,0,0,0,1|0,0,2]=3 231 B7R0.2 COC(=O)CC(N)=O 323080 [0,0,0,0,0,1|2,0,0]=3 232 B7R0.2 COC(=O)CN(C)C 099922 [0,0,0,0,0,1|1,0,1]=3 233 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,0,0,0,0,1|1,0,1]=3 234 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,0,0,0,0,1|1,0,1]=3 235 B7R0.2 COC(=O)\C=C(\C)N 078507 [0,0,0,0,0,1|1,0,0]=2 236 B4R0.1 C#CC(=O)O 167900 [2,0,0,0,0,0|0,0,2]=4 237 B4R0.1 C#CC(C)=O 009078 [2,0,0,0,0,0|0,0,2]=4 238 B4R0.1 C=C(C)C=O 533380 [2,0,0,0,0,0|0,0,0]=2 239 B4R0.1 C=C(C)CBr 067665 [2,0,0,0,0,0|1,0,1]=4 240 B4R0.1 C=C(C)CCl 094695 [2,0,0,0,0,0|1,0,1]=4 241 B4R0.1 C=C(C)CO 358232 [2,0,0,0,0,0|0,0,1]=3 242 B4R0.1 C=C(C)CS 038481 [2,0,0,0,0,0|0,1,1]=4 243 B4R0.1 C=C(C)OC 032479 [2,0,0,0,0,0|0,0,0]=2 244 B4R0.1 C=CC(=O)O 099597 [2,0,0,0,0,0|0,0,0]=2 245 B4R0.1 C=CC(C)=O 099068 [2,0,0,0,0,0|0,0,0]=2 246 B4R0.1 C=CC(C)Cl 099655 [2,0,0,0,0,0|1,0,1]=4 247 B4R0.1 C=CC(C)O 099331 [2,0,0,0,0,0|0,0,2]=4 248 B4R0.1 C=CC(N)=O 047867 [2,0,0,0,0,0|1,0,0]=3 249 B4R0.1 C=CC(N)=O 104581 [2,0,0,0,0,0|1,0,0]=3 250 B4R0.1 CC(=O)C=O 069255 [2,0,0,0,0,0|1,0,0]=3 251 B4R0.1 CC(=O)CCl 099980 [2,0,0,0,0,0|1,0,1]=4 252 B4R0.1 CC(=O)CN 078537 [2,0,0,0,0,0|1,0,1]=4 253 B4R0.1 CC(=O)CO 097598 [2,0,0,0,0,0|1,0,1]=4 254 B4R0.1 CC(=O)NN 049751 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.1 CC(=O)NO 078547 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.1 CC(=O)OO 102863 [2,0,0,0,0,0|1,0,0]=3 257 B4R0.1 CC(=O)O[TlH2] 044421 [2,0,0,0,0,0|1,0,0]=3 258 B4R0.1 CC(C)=NO 100400 [2,0,0,0,0,0|1,0,1]=4 259 B4R0.1 CC(C)C=O 094969 [2,0,0,0,0,0|0,0,2]=4 260 B4R0.1 CC(C)C=O 102748 [2,0,0,0,0,0|0,0,2]=4 261 B4R0.1 CC=C(C)C 102641 [2,0,0,0,0,0|0,0,1]=3 262 B4R0.1 CCC(=O)Br BR1194 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.1 CCC(=O)Cl 098881 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.1 CCC(=O)O 098214 [2,0,0,0,0,0|0,0,1]=3 265 B4R0.1 CCC(=O)O 104856 [2,0,0,0,0,0|0,0,1]=3 266 B4R0.1 CCC(=O)[O-] 105990 [2,0,0,0,0,0|0,0,2]=4 267 B4R0.1 CCC(=O)[O-] 106505 [2,0,0,0,0,0|0,0,2]=4 268 B4R0.1 CCC(C)=O 046806 [2,0,0,0,0,0|0,0,1]=3 269 B4R0.1 CCC(C)=O 075238 [2,0,0,0,0,0|0,0,1]=3 270 B4R0.1 CCC(C)=O 101973 [2,0,0,0,0,0|0,0,1]=3 271 B4R0.1 CCC(C)=O 102570 [2,0,0,0,0,0|0,0,1]=3 272 B4R0.1 CCC(N)=O 069325 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.1 CN(C)C=O 035911 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.1 CN(C)C=O 046776 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.1 CN(C)C=O 094267 [2,0,0,0,0,0|1,0,1]=4 276 B4R0.1 CN(C)C=O 099894 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.1 CN(C)C=O 106424 [2,0,0,0,0,0|1,0,1]=4 278 B4R0.1 CNC(=O)Cl 358405 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 CNC(C)=O 154700 [2,0,0,0,0,0|1,0,0]=3 280 B4R0.1 CNC(N)=O 227727 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.1 COC(=N)N 242831 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 COC(=N)N 449588 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.1 COC(=O)Cl 099160 [2,0,0,0,0,0|1,0,0]=3 284 B4R0.1 COC(C)=O 098761 [2,0,0,0,0,0|0,0,0]=2 285 B4R0.1 COC(N)=O 080112 [2,0,0,0,0,0|1,0,0]=3 286 B4R0.1 COC(N)=[NH2+] 079024 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.1 CO[SiH](C)C S07285 [2,0,0,0,0,0|0,1,1]=4 288 B4R0.1 C\C(N)=N\O 075417 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.1 NCC(=O)O 105741 [2,0,0,0,0,0|1,0,1]=4 290 B4R0.1 NCC(=O)O 229198 [2,0,0,0,0,0|1,0,1]=4 291 B4R0.1 NCC(=O)O M03001 [2,0,0,0,0,0|1,0,1]=4 292 B4R0.1 O=C(O)CBr 004135 [2,0,0,0,0,0|1,0,1]=4 293 B4R0.1 O=C(O)CCl 095375 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.1 O=C(O)CI 520348 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.1 O=C(O)CO 058235 [2,0,0,0,0,0|1,0,1]=4 296 B4R0.1 O=C(O)CO 103022 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.1 O=C(O)CS 097732 [2,0,0,0,0,0|1,0,1]=4 298 B4R0.1 O=CC(=O)O 095359 [2,0,0,0,0,0|1,0,0]=3 299 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [2,0,0,0,0,0|1,0,1]=4 300 B4R0.2 C=CCNC 069326 [2,0,0,0,0,0|1,0,1]=4 301 B4R0.2 C=CCON 471484 [2,0,0,0,0,0|1,0,1]=4 302 B4R0.2 C=CCSC 106338 [2,0,0,0,0,0|0,1,1]=4 303 B4R0.2 COCOC 094560 [2,0,0,0,0,0|1,0,1]=4 304 B4R0.2 C\C=C\C#N 099018 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.2 C\C=C\C=O 245633 [2,0,0,0,0,0|2,0,0]=4 306 B4R0.2 C\C=C\CBr 103776 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.2 C\C=C\CO 103771 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.1 CC\C=C(/C)C=O 103302 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.1 COCC(=O)OC 358440 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.1 C\C=C\C(=O)OC 236942 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.2 C=C(C)C=C(C)C 104537 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.2 C=C(C)OC(C)=O 101993 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.2 CC(=O)C=C(C)C 098815 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.2 CC(=O)\C=C(\C)[O-] 095827 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.2 CC(=O)\C=C(\C)[O-] 102213 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.2 CC(=O)\C=C(\C)[O-] 103716 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.2 CC(=O)\C=C(\C)[O-] 103741 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.2 CC(=O)\C=C(\C)[O-] 415350 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.2 CC(=O)\C=C(\C)[O-] 494110 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.2 CC(=[OH+])C=C(C)O 245745 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.4 C=C(C)CNCC 098963 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.4 CO\C=C\C(C)=O 099154 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.8 C=CS(=O)(=O)CC 002475 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.8 COP(=O)(Cl)OC 104690 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.8 COP(=O)(O)OC 239785 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.8 COS(=O)(=O)OC 098977 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.9 COC(C=O)OC 105790 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.7 CC(=O)C(C)(C)C 003453 [1,1,0,0,0,0|0,0,2]=4 329 B6R0.7 CC(=O)C(C)(C)O 092081 [1,1,0,0,0,0|0,0,2]=4 330 B6R0.7 CC(C)(Br)C(=O)O 075177 [1,1,0,0,0,0|0,0,2]=4 331 B6R0.7 CC(C)(C)C(=O)O 218406 [1,1,0,0,0,0|0,0,2]=4 332 B6R0.7 CC(C)(F)C(=O)O 013150 [1,1,0,0,0,0|0,0,2]=4 333 B6R0.7 CC(C)(N)C(=O)O 078899 [1,1,0,0,0,0|0,0,2]=4 334 B6R0.7 CC(C)(O)C(=O)O 214584 [1,1,0,0,0,0|0,0,2]=4 335 B6R0.7 CC(F)(F)C(=O)O 010408 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.2 COC(=O)C(Br)C(C)C 078833 [0,1,0,0,0,1|0,0,2]=4 337 B8R0.2 COC(=O)C(Cl)C(C)=O 094734 [0,1,0,0,0,1|1,0,0]=3 338 B8R0.2 COC(=O)C(N)C(C)C M03137 [0,1,0,0,0,1|0,0,2]=4 339 B8R0.2 COC(=O)[C@@H](N)C(C)C 003820 [0,1,0,0,0,1|0,0,2]=4 340 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O M02985 [0,1,0,0,0,1|1,0,1]=4 341 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O 463143 [0,1,0,0,0,1|1,0,1]=4 342 B8R0.5 CC(C)OC(=O)OCCl 239635 [0,1,0,0,0,1|0,0,2]=4 343 B8R0.5 CCOC(=O)C=C(C)C 224509 [0,1,0,0,0,1|0,0,1]=3 344 B8R0.5 CCOC(=O)CC(=O)Cl 069285 [0,1,0,0,0,1|2,0,0]=4 345 B8R0.5 CCOC(=O)CC(=O)[O-] 214619 [0,1,0,0,0,1|2,0,0]=4 346 B8R0.5 CCOC(=O)CC(C)=O 044857 [0,1,0,0,0,1|1,0,0]=3 347 B8R0.5 CCOC(=O)CC(C)=O 104605 [0,1,0,0,0,1|1,0,0]=3 348 B8R0.5 CCOC(=O)CC(C)C 098989 [0,1,0,0,0,1|0,0,2]=4 349 B8R0.5 CCOC(=O)CC(C)O 093719 [0,1,0,0,0,1|1,0,1]=4 350 B8R0.5 CCOC(=O)C[C@@H](C)O 078582 [0,1,0,0,0,1|1,0,1]=4 351 B8R0.5 CCOC(=O)NC(N)=O 013569 [0,1,0,0,0,1|2,0,0]=4 352 B8R0.5 CCOC(=O)OC(C)Cl 238068 [0,1,0,0,0,1|1,0,1]=4 353 B8R0.5 CCOC(=O)\C=C(\C)N 139000 [0,1,0,0,0,1|1,0,0]=3 354 B8R0.19 CCC(=O)CC(=O)OC 023871 [0,1,0,0,0,1|1,0,0]=3 355 B8R0.19 CCC(C)CC(=O)OC 097640 [0,1,0,0,0,1|0,0,2]=4 356 B8R0.19 COC(=O)CC(=O)OC 996204 [0,1,0,0,0,1|1,0,0]=3 357 B8R0.19 COC(=O)CN(C)C=O 215118 [0,1,0,0,0,1|1,0,0]=3 358 B8R0.19 COC(=O)OC(=O)OC 094876 [0,1,0,0,0,1|1,0,0]=3 359 B8R0.23 CC(=O)CC(=O)N(C)C 324094 [0,1,0,0,0,1|2,0,0]=4 360 B8R0.24 COC(=O)CC(C)(C)C 101635 [0,1,0,0,0,1|0,0,2]=4 361 B8R0.24 COC(=O)CC(C)(F)F 094478 [0,1,0,0,0,1|1,0,1]=4 362 B8R0.24 COC(=O)CS(C)(=O)=O 003762 [0,1,0,0,0,1|2,0,0]=4 363 B8R0.3 CCCC(Br)C(=O)OC 099965 [0,2,0,0,0,0|1,0,1]=4 364 B8R0.3 CCCC(C)C(=O)OC 102877 [0,2,0,0,0,0|0,0,2]=4 365 B8R0.3 CCOC(=O)C(=O)CBr 067144 [0,2,0,0,0,0|1,0,0]=3 366 B8R0.3 CCOC(=O)C(=O)CC 075979 [0,2,0,0,0,0|1,0,0]=3 367 B8R0.3 CCOC(=O)C(Br)CBr 044874 [0,2,0,0,0,0|1,0,1]=4 368 B8R0.3 CCOC(=O)C(Br)CC 008678 [0,2,0,0,0,0|1,0,1]=4 369 B8R0.3 CCOC(=O)C(C)C#N 050345 [0,2,0,0,0,0|0,0,2]=4 370 B8R0.3 CCOC(=O)C(C)CC 099207 [0,2,0,0,0,0|0,0,2]=4 371 B8R0.3 CCOC(=O)[C@@H](N)CS M03085 [0,2,0,0,0,0|1,0,1]=4 372 B8R0.3 CCOC(=O)\C(Cl)=N\O 047343 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.3 CCOC(=O)\C(N)=N/O 047338 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.3 CCOC(=O)\C(N)=N\O 319222 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.3 COC(=O)C(Br)CCBr 044197 [0,2,0,0,0,0|1,0,1]=4 376 B8R0.3 C\C=C(/C)C(=O)OCC 104013 [0,2,0,0,0,0|0,0,0]=2 377 B8R0.3 [C@H](N)(CO)C(=O)OCC 222175 [0,2,0,0,0,0|1,0,1]=4 378 B8R0.8 C=C(C)C(=O)NCOC 106343 [0,2,0,0,0,0|0,0,0]=2 379 B8R0.8 C=C(C)C(=O)OCCCl 104860 [0,2,0,0,0,0|0,0,0]=2 380 B8R0.8 C=C(C)C(=O)OCCN 013402 [0,2,0,0,0,0|0,0,0]=2 381 B8R0.8 C=C(C)C(=O)OCCO 358471 [0,2,0,0,0,0|0,0,0]=2 382 B8R0.8 C=CCOC(=O)C(=C)C 106342 [0,2,0,0,0,0|0,0,0]=2 383 B8R0.8 COCCC(=O)N(C)C 091209 [0,2,0,0,0,0|1,0,1]=4 384 B8R0.14 CC(C)(C)C(=O)OCCl 035584 [0,2,0,0,0,0|0,0,2]=4 385 B8R0.14 CC(C)(C)C(=O)OCI 235580 [0,2,0,0,0,0|0,0,2]=4 386 B8R0.14 CCOC(=O)C(C)(C)Br 093529 [0,2,0,0,0,0|0,0,2]=4 387 B8R0.14 CCOC(=O)C(C)(C)C 003884 [0,2,0,0,0,0|0,0,2]=4 388 B8R0.14 CCOC(=O)C(C)(C)F 024857 [0,2,0,0,0,0|0,0,2]=4 389 B8R0.14 CCOC(=O)C(C)(C)O 024843 [0,2,0,0,0,0|0,0,2]=4 390 B8R0.14 CCOC(=O)C(C)(F)F 023892 [0,2,0,0,0,0|1,0,1]=4 391 B8R0.13 COC(=O)C(C)(C)CN 233971 [0,2,0,0,0,0|0,0,2]=4 392 B8R0.13 COC(=O)C(C)(C)CO 050399 [0,2,0,0,0,0|0,0,2]=4 393 B8R0.13 COC(=O)C(F)(F)CBr 099825 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.20 COC(=O)C(OC)OC 001312 [0,2,0,0,0,0|0,0,2]=4 395 B6R1.2 BrC1=COC=C1 013445 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.2 CC1=CCCC1 103763 [1,0,0,1,0,0|1,0,1]=4 397 B6R1.2 CC1=CNN=C1 043307 [1,0,0,1,0,0|2,0,0]=4 398 B6R1.2 CC1=COC=N1 224056 [1,0,0,1,0,0|1,0,1]=4 399 B6R1.2 CC1=CSC=C1 003448 [1,0,0,1,0,0|0,1,1]=4 400 B6R1.2 O=C1C=CCC1 049816 [1,0,0,1,0,0|2,0,0]=4 401 B6R1.2 O=C1CCOC1 076836 [1,0,0,1,0,0|1,0,1]=4 402 B8R1.1 CCC1=NC=C(C)N1 403581 [0,0,0,1,0,1|2,0,0]=4 403 B8R1.4 CC1=CC(=O)NC=C1 358401 [0,0,0,1,0,1|1,0,1]=4 404 B8R1.4 NC1=CC(=O)CCC1 011075 [0,0,0,1,0,1|2,0,0]=4 405 B8R1.4 O=C1CCCC(=O)C1 078597 [0,0,0,1,0,1|2,0,0]=4 406 B8R1.4 O=C1CCCC(=O)N1 446406 [0,0,0,1,0,1|2,0,0]=4 407 B8R1.4 O=C1CCCC(=O)O1 044731 [0,0,0,1,0,1|2,0,0]=4 408 B8R1.4 O=C1CCNC(=O)C1 044088 [0,0,0,1,0,1|2,0,0]=4 409 B8R1.4 O=C1CCNC(=O)N1 319958 [0,0,0,1,0,1|2,0,0]=4 410 B8R1.18 CC1=CC(=O)OC1=O 236869 [0,0,0,1,0,1|2,0,0]=4 411 B8R1.18 CN1CC(=O)NC1=O 358231 [0,0,0,1,0,1|2,0,0]=4 412 B8R1.5 CC1=CC=CNC1=O 077668 [0,1,0,1,0,0|1,0,1]=4 413 B8R1.5 O=C1CCCCC1=O 123100 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.19 CC1(C)CCOC1=O 432330 [0,1,0,1,0,0|0,0,2]=4 415 B8R1.37 CCOC(=O)C1CC1 051090 [0,1,0,1,0,0|0,0,2]=4 416 B8R1.11 C=CN1CCCC1=O 235700 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.11 CC1=C(C=O)SC=C1 024308 [0,1,0,1,0,0|0,1,1]=4 418 B8R1.38 COC(=O)C1CCC1 094004 [0,1,0,1,0,0|0,0,2]=4 419 B8R1.39 COC(=O)C1(Br)CC1 043234 [0,1,0,1,0,0|0,0,2]=4 420 B8R1.39 COC(=O)C1(O)CC1 230805 [0,1,0,1,0,0|0,0,2]=4 421 B8R1.50 CC1=C(C)C(N)=NO1 076966 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.50 CC1=C(C)C(O)=NO1 180028 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.50 CC1C(=O)CCC1=O 079158 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.50 CC1CCC(=O)C1=O 319433 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.50 O=C1COC(=O)C1Cl 103429 [0,1,0,1,0,0|1,0,1]=4 426 B8R0.9 COC(=O)CCC(=O)Cl 366676 [0,0,0,0,0,2|2,0,0]=4 427 B8R0.9 COC(=O)CCC(=O)O 001779 [0,0,0,0,0,2|2,0,0]=4 428 B8R0.9 COC(=O)CCC(C)=O 099360 [0,0,0,0,0,2|1,0,0]=3 429 B8R0.9 COC(=O)CSC(C)C 095097 [0,0,0,0,0,2|0,0,2]=4 430 B8R0.9 COC(=O)\C=C\C(=O)O 094823 [0,0,0,0,0,2|2,0,0]=4 431 B8R0.9 COC(=O)\C=C\C(=O)O 102026 [0,0,0,0,0,2|2,0,0]=4 432 B8R0.9 COC(=O)\C=C\C(C)C 011190 [0,0,0,0,0,2|0,0,2]=4