0 B7R0.5 CC(=O)N(C)CCO BB55-7164 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.5 CC(CCN)N(C)C BB12-1370 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.5 CC(CCO)N(C)C BB12-3646 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.1 CC(CN)CCN BB12-1906 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CCCC(O)CN BB58-4054 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCC\C(N)=N\O BB10-0037 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCNC(C)CO BB12-1659 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.1 CCOC(C)CN BB57-2923 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CNC(C)CCO BB05-4613 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CNC(C)CCO BB12-1373 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CNCC(C)OC BB55-4648 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 COC(C)CCN BB57-3649 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 COCC(C)C#N BB55-7988 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 CCC(Br)C(N)=O BB55-8830 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.3 CNC(C)C(=O)O BB57-2982 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.3 COC(C)C(=O)O BB57-2927 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 CSC(C)C(=O)O BB12-2671 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.3 NC(CCl)C(=O)O BB57-2456 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.3 O=C(O)C(O)CCl BB57-6579 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CCCCC(N)=S BB31-3291 [1,0,0,0,0,0|1,1,0]=3 25 B6R0.4 CCCNC(N)=O BB01-7603 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.4 CCNCC(C)O BB12-1676 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CCOCC(=O)Cl BB01-8267 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.4 COCCC(=O)Cl BB20-1617 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 COCCC(C)=O BB58-1056 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 CSCCC(=N)N BB12-3715 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.4 N=C(N)CCCCl BB54-4116 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.4 NC(=O)CCCCl BB57-2489 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.4 NCCCC(N)=O BB57-4725 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.3 CCCC(N)C(=O)NC BB55-8840 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.3 COC(=O)C(C)N=C=O BB01-6534 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.8 C=CCSC(C)C(=O)O BB12-3266 [0,1,0,0,0,0|0,0,2]=3 39 B8R0.8 CC(=O)N(C)CCC#N BB54-0148 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [0,1,0,0,0,0|0,0,0]=1 43 B8R0.12 CCOC(C)(C)C(=O)O BB57-2291 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.12 COCC(C)(C)C(=O)O BB58-3780 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.15 CCCC(CN)N(C)C BB12-3578 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.15 CCCC(NC)C(=O)O BB57-2495 [0,1,0,0,0,0|0,0,0]=1 47 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.5 CC1=NCCCN1C BB54-0189 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.5 CC1CCCNC1C BB57-6977 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.5 CC1CNCCC1=O BB58-3122 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.5 CC1OCCNC1=O BB58-1681 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.5 CN1CCNCC1=O BB57-1025 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.5 C[C@H]1CNCC[C@@H]1O BB58-3128 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.5 NC1CCCCC1=O BB58-4091 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.5 O=C1CCOCC1O BB17-2979 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,0,0,1,0,0|1,0,0]=2 58 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [0,0,0,1,0,0|1,0,0]=2 59 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.7 O=C(Cl)C1CCCO1 BB20-1591 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.7 O=C(O)[C@H]1C=CCN1 BB32-2958 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.18 CN1CC(N)CC1=O BB58-3545 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [0,0,0,1,0,0|1,0,0]=2 64 B8R1.78 NC1(C(=O)O)CCC1 BB57-1033 [0,0,0,1,0,0|1,0,0]=2 65 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,0,0,0,0,1|1,0,0]=2 66 B8R0.5 CCNC(=O)CC(=O)O BB57-2976 [0,0,0,0,0,1|2,0,1]=4 67 B8R0.5 CN(CCO)CC(=O)O BB12-1628 [0,0,0,0,0,1|2,0,0]=3 68 B5R0.1 CC(N)CCO BB57-1076 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 CC(O)CNN BB58-3435 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 CNCC(C)=O BB12-3010 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.1 CNCC(C)O BB12-1288 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.1 CS(=O)CCN BB55-5915 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.1 NC(=O)CCO BB58-1090 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.2 CCSCCO BB54-1799 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.2 OCCCCCl BB54-0721 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.2 [C-]#[N+]CCCC BB56-0718 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.3 CC(CN)CO BB57-2245 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.3 CCC(C)NC BB53-1672 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.3 CNC(C)CO BB12-1570 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.5 CC(C)C(=N)N BB20-1445 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.5 CC(Cl)C(N)=O BB12-1307 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.2 CC(CO)CN(C)C BB12-3644 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.3 CCCCC(N)CO BB56-2048 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.3 CCCOC(C)CN BB55-6921 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.3 CCO\C=C(\C)C=O BB12-3547 [1,1,0,0,0,0|0,0,2]=4 87 B7R0.3 CSCCC(N)CO BB56-2047 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.7 CCNC(C)CCO BB12-1398 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.11 C#CC(C)(O)CCC BB54-1632 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.11 CCCC(C)(O)C#N BB58-5222 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.11 CCCC(C)(O)CN BB58-5219 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.11 CNCC(C)(C)CO BB57-0988 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [1,1,0,0,0,0|0,0,0]=2 94 B7R0.13 COC(C)(C)C(=O)O BB57-1085 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.15 CCC(CN)C(=O)O BB58-3841 [1,1,0,0,0,0|0,0,0]=2 96 B7R0.15 CCC(NC)C(=O)O BB57-2477 [1,1,0,0,0,0|0,0,0]=2 97 B7R0.15 CCC(NC)C(N)=O BB57-1806 [1,1,0,0,0,0|1,0,0]=3 98 B7R0.15 CCC(OC)C(=O)O BB57-2928 [1,1,0,0,0,0|0,0,0]=2 99 B7R0.15 COC(OC)C(N)=O BB58-3444 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.4 C=CCSCC(=O)O BB12-3265 [1,1,0,0,0,0|0,0,2]=4 103 B7R0.4 CC(=O)NCCCN BB32-2735 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.4 CC(=O)NCCCO BB12-3384 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.4 CCCNCC(=O)O BB20-0186 [1,1,0,0,0,0|0,0,0]=2 106 B7R0.4 CCCNCC(C)O BB58-2124 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.4 CCCOCC(=O)O BB55-7872 [1,1,0,0,0,0|0,0,0]=2 108 B7R0.4 CCCSCC(=O)O BB12-3263 [1,1,0,0,0,0|0,0,0]=2 109 B7R0.4 CCOCCC(=O)Cl BB58-1931 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.4 CCSCCC(=O)O BB12-3270 [1,1,0,0,0,0|0,0,0]=2 111 B7R0.4 NC(=O)CSCCO BB53-1357 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.4 O=C(O)CNCCO BB58-1263 [1,1,0,0,0,0|1,0,0]=3 113 B7R0.6 CC(C)CNC(N)=O BB01-7595 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.6 CC(C)SCC(=O)O BB12-3365 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.6 CN(C)CCC(=O)O BB55-3488 [1,1,0,0,0,0|1,0,0]=3 116 B7R0.8 CNCCS(=O)(=O)O BB57-6681 [1,1,0,0,0,0|2,0,0]=4 117 B9R0.4 COCCN(C)CC(=O)O BB12-3659 [0,1,0,0,0,1|1,0,0]=3 118 B9R0.34 COCC(C)NC(=O)CCl BB17-2020 [0,1,0,0,0,1|2,0,0]=4 119 B9R0.53 CC(=O)NC(C)CC(=O)O BB57-3774 [0,1,0,0,0,1|1,0,1]=4 120 B9R0.32 CCS(=O)(=O)C(C)C(=O)O BB12-3268 [0,2,0,0,0,0|1,0,0]=3 121 B9R0.41 CCC(CC)C(N)C(=O)O BB55-8898 [0,2,0,0,0,0|1,0,0]=3 122 B9R0.41 CCN(CC)C(C)C(=O)O BB58-0840 [0,2,0,0,0,0|1,0,0]=3 123 B9R0.41 COC(OC)C(C)C(C)=O BB12-3490 [0,2,0,0,0,0|2,0,0]=4 124 B9R0.8 COC(=O)C(N)CCCN BB57-6639 [0,2,0,0,0,0|1,0,0]=3 125 B9R0.35 CCOC(=O)C(C)CNC BB12-1638 [0,2,0,0,0,0|1,0,0]=3 126 B9R0.7 CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,2,0,0,0,0|1,0,1]=4 127 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [0,2,0,0,0,0|0,0,0]=2 129 B9R0.51 CC(C)(CCCO)[N+](=O)[O-] BB58-4040 [0,2,0,0,0,0|1,0,1]=4 130 B9R0.11 CC(=O)NC(C)(C)C(=O)O BB57-1682 [0,2,0,0,0,0|1,0,1]=4 131 B9R0.39 CN[C@H](CC(C)C)C(=O)O BB31-2327 [0,2,0,0,0,0|0,0,0]=2 132 B7R1.1 CNC1CCCC1 BB53-1678 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.3 BrC1CCCOC1 BB55-3590 [1,0,0,1,0,0|1,0,1]=4 134 B7R1.3 NC1CCCOC1 BB12-2177 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.4 NC1CCCC1=O BB58-3328 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.4 NC1CCNC1=O BB12-2184 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.22 N[C@H](CO)C1CC1 BB32-0741 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.25 CC1(CO)CSC1 BB57-4080 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,1,0,0|1,0,0]=3 141 B7R1.18 O=C(O)C1CCN1 BB57-4884 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.18 O=C(O)C1CCO1 BB31-4760 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.19 NC(=O)C1(N)CC1 BB58-3762 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [1,0,0,1,0,0|1,0,0]=3 145 B9R1.7 CCCC1CNC(=O)C1 BB55-7002 [0,0,0,1,0,1|1,0,0]=3 146 B9R1.13 O=C(O)CC1CCCO1 BB54-2725 [0,0,0,1,0,1|1,0,0]=3 147 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [0,0,0,1,0,1|1,0,0]=3 148 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [0,0,0,1,0,1|1,0,0]=3 149 B9R1.41 CN1CSCC1C(=O)O BB12-1635 [0,0,0,1,0,1|2,0,0]=4 150 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [0,0,0,1,0,1|1,0,0]=3 151 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,0,0,1,0,1|0,0,0]=2 152 B9R1.171 CC(=O)NC1(C)CCC1 BB57-5820 [0,0,0,1,0,1|1,0,0]=3 153 B9R1.3 CC1C(=O)NCCN1C BB57-3770 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.101 COC(=O)[C@H](N)C1CC1 BB31-2387 [0,1,0,1,0,0|1,0,0]=3 155 B9R1.11 CNC(=O)C1CCCC1 BB12-1626 [0,1,0,1,0,0|1,0,0]=3 156 B9R1.11 CNC(=O)C1CCCN1 BB58-0643 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.11 COC(=O)C1CCCC1 BB12-2996 [0,1,0,1,0,0|0,0,0]=2 158 B9R1.11 COC(=O)[C@@H]1CSCN1 BB58-1738 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.11 NCC(=O)N1CCCC1 BB57-2442 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.11 NNC(=O)C1CCCC1 BB12-2640 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.15 CC1CCCC\C1=N\O BB12-1622 [0,1,0,1,0,0|1,0,0]=3 162 B9R1.15 CCC1SCCNC1=O BB57-3971 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB58-0623 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.15 O=CC1CCCCC1=O BB12-3722 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.69 CC1CN(C)CCC1=O BB54-0258 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.69 CN1CC(N)CCC1=O BB58-3748 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [0,1,0,1,0,0|1,0,0]=3 168 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.6 NC(=O)C1CCOCC1 BB55-7979 [0,1,0,1,0,0|1,0,0]=3 170 B9R1.6 NC(=O)C1CNCCO1 BB58-4215 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.6 NC(=O)[C@@H]1CCCNC1 BB31-2173 [0,1,0,1,0,0|1,0,0]=3 172 B9R1.6 NC(=S)C1CCCCC1 BB57-4606 [0,1,0,1,0,0|1,1,0]=4 173 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [0,1,0,1,0,0|0,0,0]=2 174 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [0,1,0,1,0,0|0,0,0]=2 175 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [0,1,0,1,0,0|0,0,0]=2 176 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [0,1,0,1,0,0|0,0,0]=2 177 B9R1.6 O=C(O)C1CCSCN1 BB54-3501 [0,1,0,1,0,0|1,0,0]=3 178 B9R1.6 O=C(O)C1COCCO1 BB58-3665 [0,1,0,1,0,0|1,0,0]=3 179 B9R1.35 C=C1CCC(C(=O)O)C1 BB58-5288 [0,1,0,1,0,0|0,0,1]=3 180 B9R1.35 CC(=O)N1CCC(O)C1 BB58-2199 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [0,1,0,1,0,0|1,0,0]=3 182 B9R1.35 CC1=NOC(C(=O)O)C1 BB05-4673 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.35 CC1=NOC(C(=O)O)C1 BB55-3992 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [0,1,0,1,0,0|0,0,0]=2 185 B9R1.35 O=C1CC(C(=O)O)CN1 BB57-2160 [0,1,0,1,0,0|1,0,1]=4 186 B9R1.35 O=C1CC(C(=O)O)CS1 BB01-0509 [0,1,0,1,0,0|1,0,1]=4 187 B9R1.40 CC1(C)SCCNC1=O BB57-3970 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.95 COC1CC(C(=O)O)C1 BB58-3428 [0,1,0,1,0,0|0,0,0]=2 189 B9R1.163 CC1(C(=O)O)CCCO1 BB12-1777 [0,1,0,1,0,0|0,0,0]=2 190 B9R1.163 CC1(C(=O)O)CCOC1 BB31-0673 [0,1,0,1,0,0|0,0,0]=2 191 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [0,1,0,1,0,0|0,0,0]=2 192 B9R1.165 CC(N)(C(=O)O)C1CC1 BB57-2146 [0,1,0,1,0,0|0,0,0]=2 193 B9R1.179 COCC1(C(=O)O)CC1 BB58-3779 [0,1,0,1,0,0|1,0,0]=3 194 B9R1.119 NC(=O)C1(CO)CCC1 BB57-1800 [0,1,0,1,0,0|1,0,0]=3 195 B9R1.36 CC1CC(C)(C)NC1=O BB58-3413 [0,1,0,1,0,0|1,0,0]=3 196 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] BB58-3088 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.169 CC1(C(=O)Cl)CC1(Br)Br BB55-5567 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.169 CC1(C(=O)O)CC1(Br)Br BB55-0507 [0,1,0,1,0,0|1,0,0]=3 199 B9R2.109 O=C1CCCC2CC12 BB32-3528 [0,0,0,2,0,0|1,0,0]=3