0 B7R0.10 CCC(C)C(=O)NC 102997 [0,0,0,0,0,0|2,1,1]=4 1 B7R0.10 CCC(C)C(=O)OC 035885 [0,0,0,0,0,0|2,1,1]=4 2 B7R0.10 COC(=O)[C@@H](C)CBr 053967 [0,0,0,0,0,0|2,1,1]=4 3 B7R0.10 COC(=O)[C@@H](N)CO M03012 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.10 COC(=O)[C@H](C)CBr 104234 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.10 COC(=O)[C@H](N)CO 045371 [0,0,0,0,0,0|2,1,1]=4 7 B7R0.10 OC[C@H](O)[C@H](O)CO 003436 [0,0,0,0,0,0|2,1,0]=3 8 B7R0.10 O[C@H](CS)[C@H](O)CS M02712 [0,0,0,0,0,0|2,2,0]=4 9 B7R0.10 O[C@H](CS)[C@H](O)CS M02716 [0,0,0,0,0,0|2,2,0]=4 10 B6R0.1 C=CC(O)CCC 241561 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCC(N)CCN 479098 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 CCC(N)COC 046850 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCC(O)COC 375173 [1,0,0,0,0,0|2,1,0]=4 14 B6R0.1 CCCC(C)C=O 520881 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.1 CCCC(O)CO 242929 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.1 CCOC(=O)CO 227697 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 CCO\C(C)=N/O 036372 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 CC[C@@H](N)CC#N 012701 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 CC[C@H](N)CC#N 012702 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 CNCC(O)CO 208621 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 COC(=O)CCO 223297 [1,0,0,0,0,0|1,1,1]=4 22 B6R0.1 C[C@@H](CO)CCN 103282 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.1 OC(CBr)CCBr BR1637 [1,0,0,0,0,0|2,1,0]=4 24 B6R0.3 C#CC(O)C(C)C 104538 [1,0,0,0,0,0|0,1,2]=4 25 B6R0.3 CC(C)C(=O)CBr 079016 [1,0,0,0,0,0|1,1,1]=4 26 B6R0.3 CC(C)C(N)CO 323960 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.3 CC(C)[C@@H](N)CO 045548 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 CC(C)[C@H](N)CO M03447 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.3 CCC(=O)C(C)C 386812 [1,0,0,0,0,0|0,1,1]=3 30 B6R0.3 CCC(=O)N(C)C 235586 [1,0,0,0,0,0|1,1,1]=4 31 B6R0.3 CCC(Br)C(=O)O 242857 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.3 CCC(C)B(O)O 208610 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.3 CCC(C)C(=O)O 155900 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.3 CCC(C)C(C)O 103328 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.3 CCC(N)C(=O)O M01290 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.3 CCC(O)C(C)C 240664 [1,0,0,0,0,0|0,1,0]=2 37 B6R0.3 CC[C@@H](N)C(=O)O 044880 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.3 CC[C@H](N)C(=O)O 024718 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.3 CNC(=O)C(C)C 541993 [1,0,0,0,0,0|1,1,1]=4 40 B6R0.3 COC(=O)C(C)C 097703 [1,0,0,0,0,0|1,1,1]=4 41 B6R0.3 COC(=O)C(C)O 103470 [1,0,0,0,0,0|1,1,1]=4 42 B6R0.3 COC(=O)[C@@H](C)O 219745 [1,0,0,0,0,0|1,1,1]=4 43 B6R0.3 COC(=O)[C@H](C)O 099823 [1,0,0,0,0,0|1,1,1]=4 44 B8R0.2 CCC(C)C(N)C(=O)O 390253 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O M03002 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.3 CCOC(=O)C(C)CC 099207 [0,1,0,0,0,0|1,1,1]=4 47 B8R0.3 O=CC[C@H](O)[C@H](O)CO 076452 [0,1,0,0,0,0|1,1,1]=4 48 B8R0.3 [C@H](N)(CO)C(=O)OCC 222175 [0,1,0,0,0,0|1,1,1]=4 49 B8R0.13 COC(=O)C(C)(C)CO 050399 [0,1,0,0,0,0|1,1,1]=4 50 B8R1.5 Br[C@@H]1CCCC[C@H]1Br 103333 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.5 CC1CCCCC1=O 463405 [0,0,0,1,0,0|1,1,1]=4 52 B8R1.5 CC1CCCCC1N 222026 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.5 CC1CCCCC1O 037382 [0,0,0,1,0,0|1,1,0]=3 54 B8R1.5 NC1CCCCC1N 208654 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.5 NC1CCCCC1O 103700 [0,0,0,1,0,0|2,1,0]=4 56 B8R1.5 N[C@@H]1CCCC[C@H]1N 012705 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.5 N[C@@H]1CCCC[C@H]1O 093763 [0,0,0,1,0,0|2,1,0]=4 58 B8R1.5 N[C@@H]1CCCC[C@H]1O 095334 [0,0,0,1,0,0|2,1,0]=4 59 B8R1.5 N[C@@H]1CCCC[C@H]1O 237909 [0,0,0,1,0,0|2,1,0]=4 60 B8R1.5 N[C@H]1CCCC[C@@H]1N 012706 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.5 N[C@H]1CCCC[C@@H]1N 012707 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.5 N[C@H]1CCCC[C@@H]1O 078037 [0,0,0,1,0,0|2,1,0]=4 63 B8R1.5 N[C@H]1CCCC[C@H]1N 012716 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.5 N[C@H]1CCCC[C@H]1O 077826 [0,0,0,1,0,0|2,1,0]=4 65 B8R1.5 OC1CCCCC1O 008843 [0,0,0,1,0,0|2,1,0]=4 66 B8R1.5 O[C@H]1CCCC[C@H]1O 219174 [0,0,0,1,0,0|2,1,0]=4 67 B8R1.11 CN1CCCC1CN 043819 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.11 CN1CCC[C@@H]1CO 078678 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.11 CN1CCC[C@H]1CO 208659 [0,0,0,1,0,0|2,0,0]=3 70 B8R0.19 CCC(O)OC(O)CC 098936 [0,0,0,0,0,1|2,1,0]=4 71 B5R0.1 C#CCC(C)C 104535 [2,0,0,0,0,0|0,0,2]=4 72 B5R0.1 C#CCC(C)O 532537 [2,0,0,0,0,0|0,0,2]=4 73 B5R0.1 C=C(C)CCO 358461 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.1 C=CCC(C)C 106337 [2,0,0,0,0,0|0,0,2]=4 75 B5R0.1 CC(=O)CCO 358442 [2,0,0,0,0,0|0,1,1]=4 76 B5R0.1 CC(Br)CCBr BR1240 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 CC(C)CC#N 386919 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.1 CC(C)CC=O 094970 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.1 CC(C)CCBr BR1353 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.1 CC(C)CCI 046949 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.1 CC(C)CCN 097749 [2,0,0,0,0,0|1,0,0]=3 82 B5R0.1 CC(C)CCO 097704 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.1 CC(C)CCO 103352 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.1 CC(C)CCS 358459 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.1 CC(C)CNN 023508 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.1 CC(O)CCO 099380 [2,0,0,0,0,0|0,1,0]=3 87 B5R0.1 CCCB(O)O 092177 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 CCCC(=O)O 102473 [2,0,0,0,0,0|1,0,1]=4 89 B5R0.1 CCCC(C)Br 024476 [2,0,0,0,0,0|1,0,0]=3 90 B5R0.1 CCCC(C)Br BR1101 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.1 CCCC(C)C 098758 [2,0,0,0,0,0|0,0,0]=2 92 B5R0.1 CCCC(C)N 097754 [2,0,0,0,0,0|1,0,0]=3 93 B5R0.1 CCCC(C)O 099024 [2,0,0,0,0,0|0,0,0]=2 94 B5R0.1 CCCC(C)S 070734 [2,0,0,0,0,0|0,1,0]=3 95 B5R0.1 CCC[C@H](C)O 036089 [2,0,0,0,0,0|0,0,0]=2 96 B5R0.1 CCNC(C)C 057128 [2,0,0,0,0,0|1,0,0]=3 97 B5R0.1 CN(C)CCBr 077959 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.1 CN(C)CCCl 077638 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 CN(C)CCN 043851 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.1 CN(C)CCO 044665 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.1 CN(C)CCS 450419 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.1 CNCC(C)C 047078 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.1 COCC(C)N 402335 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.1 COCC(C)O 093985 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.1 COC[C@@H](C)N 079780 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 COC[C@@H](C)O 036090 [2,0,0,0,0,0|1,0,0]=3 107 B5R0.1 C[C@@H](N)CCO 092790 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.1 C[C@@H](O)CCO 041923 [2,0,0,0,0,0|0,1,0]=3 109 B5R0.1 C[C@H](N)CCO 092789 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.1 C[C@H](O)CCO 041922 [2,0,0,0,0,0|0,1,0]=3 111 B5R0.2 BrCCCCBr 004638 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.2 C#CCCCC 098932 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.2 C#CCCCO 164406 [2,0,0,0,0,0|0,0,2]=4 114 B5R0.2 C=CCCCC 098845 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.2 C=CCCCO 164000 [2,0,0,0,0,0|0,0,2]=4 116 B5R0.2 CC#CCCO 010354 [2,0,0,0,0,0|0,0,2]=4 117 B5R0.2 CCC#CCO 164400 [2,0,0,0,0,0|0,0,2]=4 118 B5R0.2 CCCCC#N 386692 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.2 CCCCC=O 094967 [2,0,0,0,0,0|0,0,2]=4 120 B5R0.2 CCCCC=O 106333 [2,0,0,0,0,0|0,0,2]=4 121 B5R0.2 CCCCCBr 098930 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.2 CCCCCC 094916 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.2 CCCCCC 099897 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.2 CCCCCC 102229 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.2 CCCCCC 102412 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.2 CCCCCI 349297 [2,0,0,0,0,0|1,0,0]=3 127 B5R0.2 CCCCCN 099587 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.2 CCCCCO 101568 [2,0,0,0,0,0|0,0,0]=2 129 B5R0.2 CCCCNC 098817 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.2 CCCCNN 324841 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.2 CCCC[Zn]Br 213843 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.2 CCCNCC 099259 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.2 CCC\C=N\O 099610 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.2 CCNCCO 094818 [2,0,0,0,0,0|1,0,0]=3 135 B5R0.2 CCOCCBr 001004 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.2 CCOCCN 374636 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.2 CCOCCO 037421 [2,0,0,0,0,0|1,0,0]=3 138 B5R0.2 CCSCCCl 001741 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.2 CCSCCN 390974 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.2 CCSCCO 002951 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.2 CC\C=C/CO 386381 [2,0,0,0,0,0|0,0,2]=4 142 B5R0.2 CNCCCN 300980 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.2 CNCCCO 239815 [2,0,0,0,0,0|1,0,0]=3 144 B5R0.2 COCCCBr 043598 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.2 COCCCN 242837 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.2 COCCCO 078666 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.2 CSCCCN 103438 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.2 CSCCCO 069294 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.2 ClCCCCBr 235481 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.2 ClCCCCCl 099062 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.2 ClCCCCI 242676 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.2 FCCCCBr 001725 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.2 ICCCCI 239851 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.2 NCCCCBr 227649 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.2 NCCCCN 098368 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.2 NCCCCO 036678 [2,0,0,0,0,0|1,0,0]=3 157 B5R0.2 OCCCCBr 036997 [2,0,0,0,0,0|1,0,0]=3 158 B5R0.2 OCCCCCl 097634 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.2 SCCCCS 102622 [2,0,0,0,0,0|1,1,0]=4 160 B5R0.2 [C-]#[N+]CCCC 021027 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.3 CC(CBr)CBr 229847 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.3 CC(CCl)CBr 239837 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.3 CC(CO)CO 242900 [2,0,0,0,0,0|0,1,0]=3 164 B5R0.3 CCC(=O)CC 094591 [2,0,0,0,0,0|0,1,1]=4 165 B5R0.3 CCC(Br)CC 358240 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.3 CCC(C)C=O 103622 [2,0,0,0,0,0|0,0,2]=4 167 B5R0.3 CCC(C)CC 098988 [2,0,0,0,0,0|1,0,0]=3 168 B5R0.3 CCC(C)CN 013636 [2,0,0,0,0,0|1,0,0]=3 169 B5R0.3 CCC(C)CO 358145 [2,0,0,0,0,0|0,0,0]=2 170 B5R0.3 CCC(C)NN 046283 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.3 CCC(N)CC 094499 [2,0,0,0,0,0|1,0,0]=3 172 B5R0.3 CCC(N)CO 091481 [2,0,0,0,0,0|1,0,0]=3 173 B5R0.3 CCC(O)CC 358049 [2,0,0,0,0,0|0,1,0]=3 174 B5R0.3 CCC(O)CN 002496 [2,0,0,0,0,0|1,1,0]=4 175 B5R0.3 CCN(C)CC 493739 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.3 CCN(O)CC 105777 [2,0,0,0,0,0|1,1,0]=4 177 B5R0.3 CCN(O)CC 129600 [2,0,0,0,0,0|1,1,0]=4 178 B5R0.3 CCS(=O)CC 094782 [2,0,0,0,0,0|1,1,0]=4 179 B5R0.3 CC[C@@H](N)CO 012703 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.3 CC[C@H](C)CO 473128 [2,0,0,0,0,0|0,0,0]=2 181 B5R0.3 CC[C@H](N)CO 012704 [2,0,0,0,0,0|1,0,0]=3 182 B5R0.3 CC\C(C)=N\O 099127 [2,0,0,0,0,0|1,0,1]=4 183 B5R0.3 NC(CO)CO 043594 [2,0,0,0,0,0|1,1,0]=4 184 B5R0.3 NCC(O)CO 093744 [2,0,0,0,0,0|1,1,0]=4 185 B5R0.3 NC[C@@H](O)CO 036807 [2,0,0,0,0,0|1,1,0]=4 186 B5R0.3 OCC(O)CCl 242924 [2,0,0,0,0,0|1,1,0]=4 187 B5R0.3 OCC(O)CO 094580 [2,0,0,0,0,0|1,1,0]=4 188 B5R0.3 OCC(O)CO 102072 [2,0,0,0,0,0|1,1,0]=4 189 B5R0.3 OCC(O)CO 104202 [2,0,0,0,0,0|1,1,0]=4 190 B5R0.3 OCC(O)CS 104512 [2,0,0,0,0,0|1,0,0]=3 191 B5R0.3 OC[C@@H](O)CCl 079187 [2,0,0,0,0,0|1,1,0]=4 192 B5R0.5 CC(=O)C(C)C 098965 [2,0,0,0,0,0|0,1,1]=4 193 B5R0.5 CC(=O)C(C)O 449308 [2,0,0,0,0,0|0,1,1]=4 194 B5R0.5 CC(Br)C(C)Br 001074 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.5 CC(C)C(C)C 101556 [2,0,0,0,0,0|1,0,0]=3 196 B5R0.5 CC(C)N(C)C 103843 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.5 CC(S)C(=O)O 520330 [2,0,0,0,0,0|1,0,1]=4 198 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [2,0,0,0,0,0|0,1,0]=3 199 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [2,0,0,0,0,0|0,1,0]=3 201 B5R0.5 C[C@H](O)[C@H](C)O 044770 [2,0,0,0,0,0|0,1,0]=3 202 B7R0.2 CC(C)C[C@H](N)CO M03441 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.2 CCC(C)CC(=O)O 002768 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.2 CN(C)CC(O)CO 077998 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.3 CC(CN)CCCN 098814 [1,1,0,0,0,0|1,0,0]=3 206 B7R0.3 CCC(=O)NCCO 402339 [1,1,0,0,0,0|0,1,1]=4 207 B7R0.3 CCCC\C(C)=N\O 104327 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.5 CCCC(Br)C(=O)O 114500 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.5 CCCC(C)C(=O)Cl 014675 [1,1,0,0,0,0|0,0,2]=4 210 B7R0.5 CCCC(C)C(=O)O 239960 [1,1,0,0,0,0|0,0,1]=3 211 B7R0.5 CCCC(C)C(N)=O 103248 [1,1,0,0,0,0|0,0,2]=4 212 B7R0.5 CCCC(N)C(=O)O 044733 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.5 CCC[C@@H](N)C(=O)O 044736 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.5 CCC[C@H](N)C(=O)O 036432 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.7 CCCC(C)N=C=S 009558 [1,1,0,0,0,0|0,1,1]=4 216 B7R0.7 CCCC(C)SC#N 024162 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.7 CCCC(N)CCC 144200 [1,1,0,0,0,0|2,0,0]=4 218 B7R0.7 CCOC(C)OCC 358253 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.7 CN(CCO)CCO 358284 [1,1,0,0,0,0|2,0,0]=4 220 B7R0.7 COCC(N)COC 091645 [1,1,0,0,0,0|2,0,0]=4 221 B7R0.11 CCS(=O)(=O)CCO 003464 [1,1,0,0,0,0|1,1,0]=4 222 B7R0.11 COC(C)(C)CCO 242746 [1,1,0,0,0,0|2,0,0]=4 223 B7R0.12 CCN(CC)CCO 098859 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.12 CCN(CC)CCO 099634 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.14 CC(C)(C)C(O)CO 105040 [1,1,0,0,0,0|1,1,0]=4 226 B7R0.14 CC(C)(C)[C@H](N)CO 208674 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.14 CC(CO)C(C)(C)C 102491 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.14 CCC(O)C(C)(C)C 106616 [1,1,0,0,0,0|0,1,0]=3 229 B7R0.16 CC(C)C(=O)C(C)C 094125 [1,1,0,0,0,0|0,1,1]=4 230 B7R0.16 CC(C)C(N)C(C)C 214339 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.16 CC(C)C(O)C(C)C 342202 [1,1,0,0,0,0|0,1,0]=3 232 B7R0.16 CC(C)P(Cl)C(C)C 013476 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.16 CC(C)[SiH](Cl)C(C)C S06775 [1,1,0,0,0,0|1,1,0]=4 234 B9R0.27 CCC(C)C(=O)C(C)CC 240656 [0,1,0,0,0,1|2,0,0]=4 235 B9R0.34 CCOC(C)O[C@H](C)CO 104064 [0,1,0,0,0,1|1,0,0]=3 236 B7R1.1 BrCC1CCCC1 036984 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.1 BrCC1CCCO1 067835 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.1 C#CC1CCCC1 099433 [1,0,0,1,0,0|1,0,1]=4 239 B7R1.1 CNC1CCCC1 024973 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.1 COC1CCCC1 094844 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.1 COC1CCCC1 106161 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.1 ClCC1CCCO1 171500 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.1 N#CC1CCCC1 467169 [1,0,0,1,0,0|1,0,1]=4 244 B7R1.1 NCC1CCCO1 094973 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.1 NC[C@@H]1CCCO1 228127 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.1 NC[C@H]1CCCO1 216897 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.1 NNC1CCCC1 069074 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.1 OCC1CCCC1 067781 [1,0,0,1,0,0|0,0,0]=2 249 B7R1.1 OCC1CCCN1 093752 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.1 OCC1CCCO1 235709 [1,0,0,1,0,0|1,0,0]=3 251 B7R1.1 OCC1CCOC1 208614 [1,0,0,1,0,0|1,0,0]=3 252 B7R1.1 OC[C@@H]1CCCN1 M03445 [1,0,0,1,0,0|1,0,0]=3 253 B7R1.1 OC[C@H]1CCCN1 045535 [1,0,0,1,0,0|1,0,0]=3 254 B7R1.1 OC[C@H]1CCCO1 304017 [1,0,0,1,0,0|1,0,0]=3 255 B7R1.1 ON=C1CCCC1 227999 [1,0,0,1,0,0|1,0,1]=4 256 B7R1.1 [C-]#[N+]C1CCCC1 021030 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.2 CC1CCC(C)N1 105831 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.2 CC1CCC(O)C1 013642 [1,0,0,1,0,0|1,0,0]=3 259 B7R1.2 CN1CCC(O)C1 040009 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.2 CN1CC[C@H](O)C1 092713 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.2 OC1CCC(O)C1 501728 [1,0,0,1,0,0|0,1,0]=3 262 B7R1.3 BN1CCOCC1 102048 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.3 BrC1CCCCC1 097678 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.3 BrC1CCNCC1 024234 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.3 BrC1CCOCC1 077342 [1,0,0,1,0,0|1,0,0]=3 266 B7R1.3 CC1CCCCC1 013924 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.3 CC1CCCCN1 098820 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.3 CC1CCCNC1 095841 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.3 CC1CCNCC1 005025 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.3 CC1CCNCC1 106043 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.3 CC1CNCCN1 023229 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.3 CC1CNCCO1 075555 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.3 CC1COCCN1 093767 [1,0,0,1,0,0|1,0,0]=3 274 B7R1.3 CN1CCCCC1 098869 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.3 CN1CCOCC1 043444 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.3 CN1CCOCC1 104657 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.3 C[C@@H]1CNCCN1 011823 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.3 C[C@H]1CNCCN1 011818 [1,0,0,1,0,0|2,0,0]=4 279 B7R1.3 C[C@H]1CNCCO1 076728 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.3 ClC1CCCCC1 494120 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.3 ClC1CCNCC1 040191 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.3 FC1CCCNC1 009738 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 FC1CCNCC1 009739 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 IC1CCCCC1 095024 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.3 IC1CCOCC1 067477 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.3 NC1CCCCC1 005016 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.3 NC1CCCCC1 094537 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 NC1CCCCC1 123312 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.3 NC1CCCNC1 064988 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.3 NC1CCCOC1 041901 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.3 NC1CCNCC1 011407 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.3 NC1CCOCC1 023514 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.3 NC1CCOCC1 043887 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.3 NN1CCOCC1 064992 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.3 O=C1CCCOC1 070460 [1,0,0,1,0,0|1,0,1]=4 296 B7R1.3 O=C1CCOCC1 036435 [1,0,0,1,0,0|0,1,1]=4 297 B7R1.3 OC1CCCCC1 094602 [1,0,0,1,0,0|1,1,0]=4 298 B7R1.3 OC1CCCNC1 011774 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.3 OC1CCCNC1 068876 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.3 OC1CCCOC1 047681 [1,0,0,1,0,0|1,0,0]=3 301 B7R1.3 OC1CCNCC1 043869 [1,0,0,1,0,0|1,1,0]=4 302 B7R1.3 OC1CCOCC1 068764 [1,0,0,1,0,0|0,1,0]=3 303 B7R1.3 OC1COCOC1 069030 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.3 O[C@@H]1CCCNC1 011776 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.3 O[C@H]1CCCNC1 011775 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.3 SC1CCCCC1 099097 [1,0,0,1,0,0|1,0,0]=3 307 B7R1.4 CC1CCCC1=O 217631 [1,0,0,1,0,0|0,0,2]=4 308 B7R1.4 CC1OCCC1S 358069 [1,0,0,1,0,0|0,0,0]=2 309 B7R1.4 N[C@@H]1CCC[C@H]1O 093661 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.4 O[C@@H]1CNC[C@H]1F 360781 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.4 O[C@H]1CCC[C@H]1O 342198 [1,0,0,1,0,0|1,0,0]=3 312 B7R1.4 O[C@H]1CNC[C@@H]1O 224938 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.4 O[C@H]1COC[C@H]1O 319812 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.6 CNCC1CCC1 104292 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.22 C\C(=N/O)C1CC1 075938 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.25 CC1(CBr)COC1 033204 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.25 CC1(CO)COC1 076843 [1,0,0,1,0,0|1,0,0]=3 318 B7R1.23 OCC1CC1(F)F 024174 [1,0,0,1,0,0|2,0,0]=4 319 B9R1.2 CN1CCCC(CO)C1 077301 [0,0,0,1,0,1|2,0,0]=4 320 B9R1.15 CN1CCCCC1CO 077838 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.33 CN1CCCC1CCO 068968 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.40 CC1CNCCC1(F)F 094527 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.14 O=CN1CCC[C@H]1CO 103549 [0,1,0,1,0,0|1,1,0]=4 324 B9R2.39 OC1CC2CCC1C2 103358 [0,0,0,2,0,0|1,1,0]=4 325 B9R2.39 [C@@H]12CC[C@@H](C[C@@H]1Br)C2 468302 [0,0,0,2,0,0|2,0,0]=4 326 B9R2.39 [C@@H]12CC[C@@H](C[C@H]1O)C2 328901 [0,0,0,2,0,0|1,1,0]=4 327 B9R2.3 C1CC2CNCC2C1 076461 [0,0,0,2,0,0|2,0,0]=4