0 B7R0.10 C=C(CBr)C(=O)OC 092639 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.10 C=C(CO)C(=O)OC 092849 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.10 CCC(=O)C(=O)CC 464571 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.10 CCC(=O)N(C)OC 306492 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.10 CCC(Br)C(=O)OC 006777 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.10 CCC(C)C(=O)NC 102997 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.10 CCC(C)C(=O)OC 035885 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.10 CCC(N)C(=O)OC 241817 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.10 CCN(C)C(=O)CBr 075255 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.10 CCN(C)C(=O)CCl 080286 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.10 COC(=O)C(=O)CBr 214615 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.10 COC(=O)C(=O)OC 094727 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.10 COC(=O)[C@@H](C)CBr 053967 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.10 COC(=O)[C@@H](N)CCl 390254 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.10 COC(=O)[C@@H](N)CO M03012 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.10 COC(=O)[C@@H](N)CS 045338 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.10 COC(=O)[C@H](C)CBr 104234 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.10 COC(=O)[C@H](N)CO 045371 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.10 CON(C)C(=O)CCl 230712 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.10 C\C=C(/C)C(=O)OC 099352 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.10 O=C(CBr)C(=O)CBr 240795 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.1 C#CC(=O)OCC 003001 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.1 C=CC(=O)OCC 094594 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.1 C=COC(=O)CC 005111 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.1 CC#CC(=O)OC 155800 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.1 CCCC(=O)NN 018345 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.1 CCCC(=O)OC 358407 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.1 CCNC(=O)CCl 069838 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.1 CCNC(=O)CN 075036 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.1 CCNC(=O)OC 104168 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 CCOC(=O)C#N 046945 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.1 CCOC(=O)C=O 079534 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.1 CCOC(=O)CBr 006091 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.1 CCOC(=O)CC 094652 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.1 CCOC(=O)CCl 097784 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.1 CCOC(=O)CF 019465 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.1 CCOC(=O)CI 324768 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.1 CCOC(=O)CN 094472 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.1 CCOC(=O)CO 227697 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.1 CCOC(=O)CS 099611 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.1 CCOC(=O)NN 208618 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.1 CC\C=C(/C)C=O 103302 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 CNC(=O)CCBr 104783 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.1 CNCC(=O)OC M03234 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.1 COC(=O)CCBr 216315 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.1 COC(=O)CCI 103108 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.1 COC(=O)CCN 032703 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.1 COC(=O)CCO 223297 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.1 COC(=O)CCS 053164 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.1 COC(=O)CSC 002978 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.1 COC(=O)\C=C\[O-] 102950 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.1 COCC(=O)OC 358440 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.1 C\C=C\C(=O)OC 236942 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.1 O=C(CCl)NCO 242902 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.3 C=C(C)C(=O)NC 241594 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.3 C=C(C)C(=O)OC 995248 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.3 C=C(F)C(=O)OC 092134 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.3 CC(=O)\C(C)=N\O 099089 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.3 CC(C)C(=O)CBr 079016 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.3 CCC(=O)C(C)=O 464570 [1,0,0,0,0,0|0,0,0]=1 61 B6R0.3 CCC(=O)C(C)C 386812 [1,0,0,0,0,0|1,0,1]=3 62 B6R0.3 CCC(=O)N(C)C 235586 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.3 CCC(Br)C(=O)Br 241269 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.3 CCC(Br)C(=O)O 242857 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.3 CCC(C)C(=O)Cl 102938 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.3 CCC(C)C(=O)O 155900 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.3 CCC(C)C(N)=O 102996 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.3 CCC(N)C(=O)O M01290 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.3 CC[C@@H](N)C(=O)O 044880 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.3 CC[C@H](N)C(=O)O 024718 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.3 CN(C)C(=O)CBr 043801 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.3 CN(C)C(=O)CCl 067830 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.3 CN(C)C(=O)CN 463150 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.3 CNC(=O)C(=O)O 023479 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.3 CNC(=O)C(C)Br 369255 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.3 CNC(=O)C(C)C 541993 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.3 CNC(=O)C(C)Cl 310451 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.3 COC(=O)C(=O)Cl 386747 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.3 COC(=O)C(C)=O 094169 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.3 COC(=O)C(C)Br 006778 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.3 COC(=O)C(C)C 097703 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.3 COC(=O)C(C)Cl 239017 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.3 COC(=O)C(C)N 003683 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.3 COC(=O)C(C)N 003684 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.3 COC(=O)C(C)O 103470 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.3 COC(=O)[C@@H](C)Cl 046767 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.3 COC(=O)[C@@H](C)N 005452 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.3 COC(=O)[C@@H](C)O 219745 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.3 COC(=O)[C@H](C)Cl 328935 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.3 COC(=O)[C@H](C)O 099823 [1,0,0,0,0,0|1,0,2]=4 91 B6R0.3 CON(C)C(C)=O 153700 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.3 C\C=C(/C)C(=O)O 099810 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.2 COC(=O)C(Br)C(C)C 078833 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.2 COC(=O)C(N)C(C)C M03137 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.2 COC(=O)[C@@H](N)C(C)C 003820 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O M02985 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O 463143 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.3 CCCC(Br)C(=O)OC 099965 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.3 CCCC(C)C(=O)OC 102877 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.3 CCOC(=O)C(=O)CBr 067144 [0,1,0,0,0,0|1,0,0]=2 101 B8R0.3 CCOC(=O)C(=O)CC 075979 [0,1,0,0,0,0|0,0,0]=1 102 B8R0.3 CCOC(=O)C(Br)CBr 044874 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.3 CCOC(=O)C(Br)CC 008678 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.3 CCOC(=O)C(C)CC 099207 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.3 CCOC(=O)[C@@H](N)CS M03085 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.3 CCOC(=O)\C(Cl)=N\O 047343 [0,1,0,0,0,0|3,0,0]=4 107 B8R0.3 CCOC(=O)\C(N)=N/O 047338 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.3 CCOC(=O)\C(N)=N\O 319222 [0,1,0,0,0,0|3,0,0]=4 109 B8R0.3 COC(=O)C(Br)CCBr 044197 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.3 C\C=C(/C)C(=O)OCC 104013 [0,1,0,0,0,0|1,0,1]=3 111 B8R0.3 [C@H](N)(CO)C(=O)OCC 222175 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.20 CCC(=O)N(CC)CC 238969 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.20 CCN(CC)C(=O)CBr 044522 [0,1,0,0,0,0|3,0,0]=4 114 B8R0.20 CCN(CC)C(=O)CCl 003413 [0,1,0,0,0,0|3,0,0]=4 115 B8R0.20 CCN(CC)C(=O)CO 454352 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.5 CC1CCCCC1=O 463405 [0,0,0,1,0,0|1,0,1]=3 117 B8R1.5 CN1CCCCC1=O 240152 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.5 NC1CCCNC1=O 075567 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.5 O=C1CCCCC1=O 123100 [0,0,0,1,0,0|0,0,0]=1 120 B8R1.5 O=C1CCCCC1Cl 235014 [0,0,0,1,0,0|1,0,1]=3 121 B8R1.38 COC(=O)C1CCC1 094004 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.39 COC(=O)C1(Br)CC1 043234 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.39 COC(=O)C1(O)CC1 230805 [0,0,0,1,0,0|1,0,2]=4 124 B8R1.50 CC1CCC(=O)C1=O 319433 [0,0,0,1,0,0|0,0,0]=1 125 B8R1.50 CN1CCC(Br)C1=O 067528 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.50 CN1CCC(N)C1=O 048205 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.50 CN1CCN(C)C1=O 093350 [0,0,0,1,0,0|3,0,0]=4 128 B8R0.19 CCC(=O)CC(=O)OC 023871 [0,0,0,0,0,1|1,0,0]=2 129 B8R0.19 CCC(C)CC(=O)OC 097640 [0,0,0,0,0,1|2,0,1]=4 130 B8R0.19 COC(=O)CC(=O)OC 996204 [0,0,0,0,0,1|2,0,0]=3 131 B8R0.19 COC(=O)OC(=O)OC 094876 [0,0,0,0,0,1|2,0,0]=3 132 B8R0.19 O=C(CCl)OC(=O)CCl 098900 [0,0,0,0,0,1|2,0,0]=3 133 B5R0.1 C=C(C)OCC 471668 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 CC(=O)CCCl 069833 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 CC(=O)CCO 358442 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.1 CC(=O)NCO 430081 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.1 CC(C)=CCBr 053316 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 CC(C)=CCCl 349314 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 CC(C)=CCO 358414 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 CCCC(=O)Cl 098879 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.1 CCCC(=O)O 102473 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 CCCC(N)=O 356018 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.1 CCOC(=O)Cl 099901 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 CCOC(C)=N 239394 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 CCOC(C)=O 035909 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.1 CCOC(C)=O 099553 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.1 CCOC(C)=O 099895 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.1 CCOC(N)=O 099367 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.1 COCC(C)=O 002450 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.1 C\C=C\C(=O)Cl 358246 [2,0,0,0,0,0|1,0,1]=4 151 B5R0.1 C\C=C\C(=O)O 092792 [2,0,0,0,0,0|1,0,1]=4 152 B5R0.2 BrC\C=C\CBr 094548 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.2 CCCCCC 094916 [2,0,0,0,0,0|0,0,2]=4 154 B5R0.2 CCCCCC 099897 [2,0,0,0,0,0|0,0,2]=4 155 B5R0.2 CCCCCC 102229 [2,0,0,0,0,0|0,0,2]=4 156 B5R0.2 CCCCCC 102412 [2,0,0,0,0,0|0,0,2]=4 157 B5R0.2 CCCNCC 099259 [2,0,0,0,0,0|1,0,1]=4 158 B5R0.2 CCSSCC 103992 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.2 CC\C=C/CO 386381 [2,0,0,0,0,0|1,0,0]=3 160 B5R0.2 CC\C=C\C=O 466581 [2,0,0,0,0,0|1,0,1]=4 161 B5R0.2 CC\C=C\CBr 106316 [2,0,0,0,0,0|1,0,0]=3 162 B5R0.2 C\C=C\C=C\C 046824 [2,0,0,0,0,0|0,0,2]=4 163 B5R0.2 C\C=C\OCC 103024 [2,0,0,0,0,0|1,0,1]=4 164 B5R0.2 ClC\C=C/CCl 094794 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.2 OC\C=C/CO 095819 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.2 OC\C=C/CO 098937 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.3 C=CC(=O)OC 520477 [2,0,0,0,0,0|1,0,1]=4 168 B5R0.3 CCC(=O)CBr 002514 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.3 CCC(=O)CC 094591 [2,0,0,0,0,0|0,0,0]=2 170 B5R0.3 CCC(=O)NC 103047 [2,0,0,0,0,0|1,0,0]=3 171 B5R0.3 CCC(=O)NN 026652 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.3 CCC(Br)CC 358240 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.3 CCC(C)C=O 103622 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.3 CCC(C)CC 098988 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.3 CCC(N)CC 094499 [2,0,0,0,0,0|1,0,1]=4 176 B5R0.3 CCC(O)CC 358049 [2,0,0,0,0,0|0,0,2]=4 177 B5R0.3 CCN(C)CC 493739 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.3 CCN(O)CC 105777 [2,0,0,0,0,0|1,0,1]=4 179 B5R0.3 CCN(O)CC 129600 [2,0,0,0,0,0|1,0,1]=4 180 B5R0.3 CCS(=O)CC 094782 [2,0,0,0,0,0|1,0,0]=3 181 B5R0.3 CNC(=O)CBr 043828 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.3 CNC(=O)CCl 094091 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.3 CNC(=O)CN 075035 [2,0,0,0,0,0|2,0,0]=4 184 B5R0.3 CNC(=O)NC 358273 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.3 COC(=O)CBr 006774 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.3 COC(=O)CCl 095344 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.3 COC(=O)CI 103193 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.3 COC(=O)CN M03021 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.3 COC(=O)CO 227696 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.3 COC(=O)CS 011917 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.3 COC(=O)OC 094559 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.3 C\C=C(/C)C=O 245796 [2,0,0,0,0,0|1,0,1]=4 193 B5R0.3 NCC(=O)CN 245676 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.3 O=C(CCl)CCl 469912 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.3 O=C(CO)CO 093516 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.5 C=C(C)C(=C)C 104405 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.5 C=C(C)C(=O)Cl 152770 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.5 C=C(C)C(=O)O 098014 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.5 C=C(C)C(=O)[O-] 461655 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.5 C=C(C)C(C)=O 155400 [2,0,0,0,0,0|1,0,0]=3 201 B5R0.5 C=C(C)C(N)=O 098987 [2,0,0,0,0,0|2,0,0]=4 202 B5R0.5 CC(=O)C(=O)O 168700 [2,0,0,0,0,0|1,0,0]=3 203 B5R0.5 CC(=O)C(=O)[O-] 169520 [2,0,0,0,0,0|1,0,0]=3 204 B5R0.5 CC(=O)C(C)=O 099488 [2,0,0,0,0,0|0,0,0]=2 205 B5R0.5 CC(=O)C(C)C 098965 [2,0,0,0,0,0|1,0,1]=4 206 B5R0.5 CC(=O)C(C)Cl 520345 [2,0,0,0,0,0|1,0,1]=4 207 B5R0.5 CC(=O)C(C)O 449308 [2,0,0,0,0,0|0,0,2]=4 208 B5R0.5 CC(=O)N(C)C 044923 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.5 CC(=O)N(C)C 103880 [2,0,0,0,0,0|2,0,0]=4 210 B5R0.5 CC(=O)N(C)C 105121 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.5 CC(C)=C(C)C 358426 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.5 NC(=O)C(=O)O 240454 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.5 NC(=O)C(N)=O 494123 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.5 O=C(Br)C(=O)Br 099479 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.5 O=C(Cl)C(=O)Cl 003771 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.5 O=C(O)C(=O)O 094439 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.5 O=C(O)C(=O)O 099499 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.5 O=C(O)C(=O)O 099742 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.5 O=C(O)C(=O)O 099890 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.5 O=C(O)C(=O)O 242472 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.5 O=C(O)C(=O)O 360255 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.5 O=C(O)C(=O)O 492395 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.5 O=C([O-])C(=O)[O-] 104091 [2,0,0,0,0,0|2,0,0]=4 224 B5R0.5 O=C([O-])C(=O)[O-] 492462 [2,0,0,0,0,0|2,0,0]=4 225 B7R0.2 CC(C)NC(=O)CCl 307988 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.2 COC(=O)C=C(C)C 358413 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.2 COC(=O)CC(C)C 046834 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.2 COC(=O)C[C@@H](C)O 079225 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.2 COC(=O)C[C@H](C)O 208678 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.2 COC(=O)\C=C(\C)N 078507 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.3 CCC(=O)NCCO 402339 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.3 CCCCC(=O)OC 103432 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.3 CCSCC(=O)OC 094646 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.3 CC\C=C\C(=O)OC 011184 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.3 COC(=O)CCCBr 214657 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.3 COC(=O)CCCCl 386752 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.3 COC(=O)CCCI 336691 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.3 COC(=O)CCCN 009954 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.3 COC(=O)\C=C\CBr 049963 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.3 COCCC(=O)OC 349308 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.3 CO\C=C\C(=O)OC 208663 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.3 C\C=C\CC(=O)OC 099391 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.5 C(F)(Br)C(=O)OCC 003215 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.5 C(F)(Cl)C(=O)OCC 003216 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.5 C(F)(F)C(=O)OCC 003219 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.5 C=C(C)C(=O)OCC 098938 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.5 CC(C)C(=O)OCCl 424728 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.5 CCCC(=O)C(C)=O 099591 [1,1,0,0,0,0|0,0,2]=4 249 B7R0.5 CCOC(=O)C(C)=O 033125 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.5 CCOC(=O)C(C)Br 006095 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.5 CCOC(=O)C(C)C 094936 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.5 CCOC(=O)C(C)Cl 098895 [1,1,0,0,0,0|1,0,0]=3 253 B7R0.5 CCOC(=O)C(C)F 038173 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.5 CCOC(=O)C(C)N 003681 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.5 CCOC(=O)C(C)S 101529 [1,1,0,0,0,0|1,0,0]=3 256 B7R0.5 CCOC(=O)C(F)I 009177 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.5 CCOC(=O)[C@H](C)N 003682 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.5 CCOC(=O)[C@H](C)O 095008 [1,1,0,0,0,0|1,0,0]=3 259 B7R0.7 CC#CC(=O)OCC 095163 [1,1,0,0,0,0|0,0,2]=4 260 B7R0.7 CCNC(=O)CC#N 069313 [1,1,0,0,0,0|1,0,1]=4 261 B7R0.7 CCNC(=O)OCC 106284 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.7 CCNC(=S)NCC 098974 [1,1,0,0,0,0|1,1,0]=4 263 B7R0.7 CCOC(=O)C=[N+]=[N-] 520479 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.7 CCOC(=O)CC#N 022111 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.7 CCOC(=O)CCBr 225998 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.7 CCOC(=O)CCI 078702 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.7 CCOC(=O)CCN 002479 [1,1,0,0,0,0|1,0,0]=3 268 B7R0.7 CCOC(=O)CNC 221430 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.7 CCOC(=O)CNN 067177 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.7 CCOC(=O)COC 013938 [1,1,0,0,0,0|1,0,0]=3 271 B7R0.7 CCOC(=O)CSC 449224 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.7 CCOC(=O)OCC 094694 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.7 CCOS(=O)OCC 099079 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.7 CCO[PH](=O)OCC 094551 [1,1,0,0,0,0|2,0,0]=4 275 B7R0.7 C\C=C\C(=O)OCC 098555 [1,1,0,0,0,0|0,0,1]=3 276 B7R0.7 [C-]#[N+]CC(=O)OCC 358365 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.13 CCC(C)(C)C(C)=O 005871 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.15 CCC(CC)C(C)=O 046100 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.16 CC(Br)C(=O)N(C)C 310622 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.16 CC(C)C(=O)C(C)C 094125 [1,1,0,0,0,0|1,0,1]=4 281 B7R0.16 CC(C)C(=O)N(C)C 005868 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.16 CC(Cl)C(=O)N(C)C 103466 [1,1,0,0,0,0|2,0,0]=4 283 B7R0.16 CN(C)C(=O)C(=O)O 023520 [1,1,0,0,0,0|2,0,0]=4 284 B9R0.27 COC(=O)C(Br)C(=O)OC 103770 [0,1,0,0,0,1|2,0,0]=4 285 B9R0.27 COC(=O)C(C)C(=O)OC 241294 [0,1,0,0,0,1|2,0,0]=4 286 B9R0.27 COC(=O)C(Cl)C(=O)OC 241195 [0,1,0,0,0,1|2,0,0]=4 287 B9R0.27 COC(=O)C(F)C(=O)OC 001555 [0,1,0,0,0,1|2,0,0]=4 288 B9R0.34 CCCC(=O)CC(=O)OC 208939 [0,1,0,0,0,1|1,0,0]=3 289 B9R0.34 CCOC(=O)CC(=O)CBr 076501 [0,1,0,0,0,1|1,0,0]=3 290 B9R0.34 CCOC(=O)CC(=O)CC 018694 [0,1,0,0,0,1|0,0,0]=2 291 B9R0.34 CCOC(=O)NC(=O)CCl 009707 [0,1,0,0,0,1|1,0,0]=3 292 B9R0.34 COCC(=O)CC(=O)OC 033038 [0,1,0,0,0,1|1,0,0]=3 293 B9R0.42 COC(=O)CC(=O)C(C)C 014783 [0,1,0,0,0,1|1,0,0]=3 294 B9R0.6 CCOC(=O)C(Br)C(C)C 079431 [0,2,0,0,0,0|1,0,1]=4 295 B9R0.6 CCOC(=O)C(N)C(C)C 002960 [0,2,0,0,0,0|1,0,1]=4 296 B9R0.6 CCOC(=O)[C@H](N)C(C)C 222219 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.25 COC(=O)C(=O)C(F)(F)F 006851 [0,2,0,0,0,0|2,0,0]=4 298 B9R0.8 C\C=C(/C)C(=O)OCCC 104244 [0,2,0,0,0,0|1,0,1]=4 299 B9R0.19 CCOC(=O)C(F)(F)CC 035960 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.23 C\C=C(/C)C(=O)OC(C)C 104260 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.35 CCCC(Br)C(=O)OCC 236752 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.35 CCOC(=O)C(=O)OCC 094696 [0,2,0,0,0,0|0,0,0]=2 303 B9R0.35 CCOC(=O)C(=O)[CH-]C#N 455471 [0,2,0,0,0,0|0,0,2]=4 304 B9R0.37 CCN(CC)C(=O)CCN 024822 [0,2,0,0,0,0|2,0,0]=4 305 B9R0.37 CCOC(=O)C(C#N)CC 075033 [0,2,0,0,0,0|1,0,1]=4 306 B7R1.1 CCC1=NCCO1 336609 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.2 CC1=CC(=O)CC1 078668 [1,0,0,1,0,0|0,0,1]=3 308 B7R1.2 CC1CCC(=O)N1 232918 [1,0,0,1,0,0|1,0,0]=3 309 B7R1.2 CC1CCC(=O)O1 243089 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.2 CC1COC(=O)O1 044922 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.2 C[C@@H]1COC(=O)O1 237778 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.3 C=C1CCCCC1 238843 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.3 CC1=CCCCC1 098887 [1,0,0,1,0,0|1,0,0]=3 314 B7R1.3 N=C1CCCCN1 437867 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 O=C1C=CCCC1 040004 [1,0,0,1,0,0|0,0,1]=3 316 B7R1.3 O=C1CCCCC1 046757 [1,0,0,1,0,0|0,0,1]=3 317 B7R1.3 O=C1CCCCC1 101607 [1,0,0,1,0,0|0,0,1]=3 318 B7R1.3 O=C1CCCCN1 043484 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.3 O=C1CCCCO1 448260 [1,0,0,1,0,0|1,0,0]=3 320 B7R1.3 O=C1CCCNC1 078172 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.3 O=C1CCCOC1 070460 [1,0,0,1,0,0|1,0,1]=4 322 B7R1.3 O=C1CCNCC1 008861 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.3 O=C1CCOCC1 036435 [1,0,0,1,0,0|1,0,1]=4 324 B7R1.3 O=C1CCSCC1 069034 [1,0,0,1,0,0|1,0,1]=4 325 B7R1.3 O=C1CNCCN1 031681 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.3 O=C1COCCN1 038232 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.3 O=C1COCCO1 242965 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.3 O=C1NCCCN1 208604 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.4 CC1CCCC1=O 217631 [1,0,0,1,0,0|0,0,1]=3 330 B7R1.4 CC1CCOC1=O 092467 [1,0,0,1,0,0|1,0,0]=3 331 B7R1.4 CN1CCCC1=O 035918 [1,0,0,1,0,0|1,0,1]=4 332 B7R1.4 CN1CCCC1=O 041934 [1,0,0,1,0,0|1,0,1]=4 333 B7R1.4 CN1CCNC1=O 091683 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.4 NC1CCNC1=O 047644 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.4 NC1CCOC1=O 432676 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.4 N[C@H]1CCOC1=O 078519 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.4 O=C1NCCC1O 093757 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.22 CNC(=O)C1CC1 527999 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.22 COC(=O)C1CC1 022090 [1,0,0,1,0,0|1,0,1]=4 340 B7R1.22 O=C(CBr)C1CC1 064670 [1,0,0,1,0,0|1,0,1]=4 341 B7R1.18 CC(=O)C1CCC1 513334 [1,0,0,1,0,0|1,0,1]=4 342 B9R1.37 CC1=C(C)C(=O)OC1=O 078937 [0,0,0,1,0,1|0,0,2]=4 343 B9R1.69 CC1CCC(=O)CC1C 474237 [0,0,0,1,0,1|1,0,1]=4 344 B9R1.69 NC1CCC(=O)NC1=O 078697 [0,0,0,1,0,1|1,0,0]=3 345 B9R1.3 CC1CCCC(C)C1=O 493733 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.5 NC1CCCCNC1=O 011374 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.5 N[C@@H]1CCCCNC1=O 034333 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.5 N[C@H]1CCCCNC1=O 011373 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.15 N#CC1CCCCC1=O 023580 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.22 CCN1N=C(C)CC1=O 180064 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.33 NCCN1CCCC1=O 037271 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.33 O=C1CCCN1CCO 068970 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.73 CCOC(=O)C1CCC1 041921 [0,1,0,1,0,0|1,0,1]=4 354 B9R1.74 CCOC(=O)C1(N)CC1 037843 [0,1,0,1,0,0|1,0,1]=4 355 B9R1.40 CC1(C)CCCCC1=O 049771 [0,1,0,1,0,0|1,0,1]=4 356 B9R2.39 O=C1CC2CCC1C2 463393 [0,0,0,2,0,0|1,0,1]=4 357 B9R2.109 O=C1CCCC2OC12 329460 [0,0,0,2,0,0|0,0,2]=4 358 B9R0.24 COC(=O)C#CC(=O)OC 049730 [0,0,0,0,0,2|2,0,0]=4 359 B9R0.24 COC(=O)CCC(=O)OC 094576 [0,0,0,0,0,2|2,0,0]=4 360 B9R0.24 COC(=O)CNC(=O)CN 324290 [0,0,0,0,0,2|2,0,0]=4 361 B9R0.24 COC(=O)\C=C/C(=O)OC 094584 [0,0,0,0,0,2|2,0,0]=4 362 B9R0.24 COC(=O)\C=C\C(=O)OC 001173 [0,0,0,0,0,2|2,0,0]=4