0 B7R0.1 CCCCOCCN BB53-1642 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.1 CCCCSCCN BB57-6671 [0,0,0,0,0,0|1,1,0]=2 2 B7R0.1 CCCCSCCO BB54-1800 [0,0,0,0,0,0|0,1,0]=1 3 B7R0.1 CCNCCNCC BB57-6994 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 CCCCCNC BB57-3734 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.6 CCCCCNN BB12-2485 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.6 CCCSCCN BB53-1582 [1,0,0,0,0,0|1,1,0]=3 8 B6R0.6 CCOCCNC BB57-2926 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.6 CCSCCNC BB12-0971 [1,0,0,0,0,0|1,1,0]=3 10 B6R0.6 FCCCCCBr BB57-3968 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.6 [C-]#[N+]CCCOC BB56-1464 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.1 CCCCS(=O)CCO BB54-4315 [0,1,0,0,0,0|0,1,0]=2 13 B8R0.4 C=CCCNCCOC BB58-0794 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.7 CCCCNCC(=O)O BB20-0185 [0,1,0,0,0,0|1,0,1]=3 15 B8R1.2 BrCC1CCCNC1 BB54-4289 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 BrCC1CCCOC1 BB58-0130 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.2 CCC1CCNCC1 BB57-1743 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.2 CCC1CNCCO1 BB58-3597 [0,0,0,1,0,0|1,0,0]=2 19 B8R1.2 CNC1CCCCC1 BB53-1677 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.2 COC1CCCNC1 BB12-3161 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.2 ClCC1CCCOC1 BB54-3984 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.2 NCC1=CCCCC1 BB58-1949 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.2 NCC1CCCCO1 BB57-5862 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.2 NCC1CCCOC1 BB54-2017 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.2 NCC1CCOCC1 BB54-2900 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.2 NCC1CNCCO1 BB58-0819 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.2 NCC1COCCO1 BB01-4608 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.2 OCC1CCCCC1 BB20-4574 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.2 OCC1CCCCN1 BB56-1322 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.2 OCC1CCCOC1 BB12-1755 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.2 OCC1COCCO1 BB58-0092 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.2 ON=C1CCCCC1 BB12-1685 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.2 [C-]#[N+]C1CCCCC1 BB56-1202 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.5 CC1CCCNC1C BB57-6977 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.5 C[C@H]1CNCC[C@@H]1O BB58-3128 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.5 O=C1CCOCC1O BB17-2979 [0,0,0,1,0,0|1,0,1]=3 37 B8R1.5 O[C@H]1CNCC[C@H]1O BB58-3057 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.8 BrCCC1CCCC1 BB31-4074 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.8 CCCC1CCCN1 BB56-1742 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.8 CCCC1CCNC1 BB55-7022 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.8 CNCC1CCCC1 BB12-1620 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.8 COCC1CCCN1 BB56-0037 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.8 CSCC1CCCN1 BB56-0633 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.8 N#CCC1CCCO1 BB54-3910 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.8 NCCC1CCCC1 BB12-2130 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.8 NCCC1CCCN1 BB20-3166 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.8 NCCC1CCCO1 BB54-3985 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.8 OCCN1CCC=N1 BB55-7594 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.11 CCC1CCCC1=O BB12-2911 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.11 CN1CCCC1CBr BB12-3093 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.11 CN1CCCC1CCl BB58-2152 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.11 CN1CCCC1CN BB55-6399 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.11 CN1CCCC1CO BB12-1660 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.11 CO[C@@H]1COC[C@H]1N BB58-2830 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.22 CC1CCCCCN1 BB12-3099 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.22 CC1CCCNCC1 BB12-1445 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.22 CC1CNCCCO1 BB58-0305 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.36 CCCNCC1CC1 BB57-3733 [0,0,0,1,0,0|2,0,0]=3 60 B5R0.2 CCC#CCO BB58-4730 [2,0,0,0,0,0|0,0,2]=4 61 B5R0.2 CCSCCN BB53-1545 [2,0,0,0,0,0|1,1,0]=4 62 B5R0.2 CCSCCO BB54-1799 [2,0,0,0,0,0|0,1,0]=3 63 B5R0.2 CNCCSC BB57-4145 [2,0,0,0,0,0|1,1,0]=4 64 B5R0.2 COCCNN BB58-0266 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.2 N#CCCCO BB58-5314 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.2 NNCCCO BB58-0747 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.2 OCCCCCl BB54-0721 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.2 [C-]#[N+]CCCC BB56-0718 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.2 [C-]#[N+]CCOC BB56-1837 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.3 CCCCC(N)CO BB56-2048 [1,1,0,0,0,0|0,0,0]=2 71 B7R0.3 CCCOC(C)CN BB55-6921 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.3 CCN(C)CCCN BB12-1555 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.3 CCN(C)CCCO BB12-3254 [1,1,0,0,0,0|1,0,0]=3 74 B7R0.3 CCNCC(O)CC BB57-7065 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.3 CSCCC(N)CO BB56-2047 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.4 CC(=O)NCCCO BB12-3384 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.4 CC(C)CCCCO BB12-2305 [1,1,0,0,0,0|0,0,0]=2 78 B7R0.4 CC(C)NCCCO BB55-6367 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.4 CC(O)CNCCO BB57-2443 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.4 CCCCNC(C)C BB55-6366 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.4 CCCNCC(=O)O BB20-0186 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.4 CCCNCC(C)O BB58-2124 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.4 CCCOCC(=O)O BB55-7872 [1,1,0,0,0,0|0,0,1]=3 84 B7R0.4 CCCSCC(=O)O BB12-3263 [1,1,0,0,0,0|0,1,1]=4 85 B7R0.4 CCOCCC(=O)Cl BB58-1931 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.4 CCO\C=C\C(C)C BB57-4132 [1,1,0,0,0,0|0,0,2]=4 87 B7R0.4 CCSCCC(=O)O BB12-3270 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.7 CCCC(N)CCC BB54-4015 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.7 CCNC(C)CCO BB12-1398 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.7 CCOC(=N)CCCl BB12-2325 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.7 CCOC(=O)CCO BB12-1446 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.7 CN(CCN)CCO BB58-1912 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.7 O=S(CCO)CCO BB54-0247 [1,1,0,0,0,0|1,1,0]=4 94 B9R0.18 CCCCN(C)CCCN BB01-5257 [0,2,0,0,0,0|2,0,0]=4 95 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [0,2,0,0,0,0|1,0,0]=3 96 B9R0.2 CCCCSCCC(=O)O BB54-0237 [0,2,0,0,0,0|0,1,0]=3 97 B9R0.45 C#CCOCCOCCO BB58-3902 [0,2,0,0,0,0|0,0,1]=3 98 B9R0.45 CCCCCC#CCCO BB12-2262 [0,2,0,0,0,0|1,0,0]=3 99 B7R1.1 CCC1CCCN1 BB55-8085 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.1 CNC1CCCC1 BB53-1678 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.1 ClCC1CCCN1 BB54-3837 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.1 NCC1CCCO1 BB12-1343 [1,0,0,1,0,0|1,0,0]=3 103 B7R1.3 BrC1CCCOC1 BB55-3590 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.3 BrC1CCSCC1 BB57-4184 [1,0,0,1,0,0|1,1,0]=4 105 B7R1.3 CC1CCOCC1 BB32-2892 [1,0,0,1,0,0|0,0,0]=2 106 B7R1.3 CC1CNCCO1 BB57-2444 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.3 NC1CCCOC1 BB12-2177 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.3 NC1CCNCC1 BB58-0821 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 NC1CCOCC1 BB54-3533 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.3 OC1CCOCC1 BB12-1171 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.3 OC1CCSCC1 BB53-1540 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [1,0,0,1,0,0|1,1,0]=4 113 B7R1.6 CNCC1CCC1 BB12-1623 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.6 N#CCC1CCC1 BB57-4846 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.6 NNCC1CCC1 BB58-1933 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.6 OCCC1CCC1 BB31-5201 [1,0,0,1,0,0|0,0,0]=2 117 B7R1.7 CCCNC1CC1 BB55-3599 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.7 CCNCC1CC1 BB57-1086 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.24 C1CNCCNC1 BB12-2760 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.24 C1CNCCOC1 BB57-0752 [1,0,0,1,0,0|1,0,0]=3 121 B9R1.2 CN1CCCC(CO)C1 BB12-1539 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.8 BrCCC1CCCCN1 BB54-3946 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.8 BrCCN1CCNCC1 BB57-4669 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.8 CCCN1CCNCC1 BB01-4863 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.8 CNCC1CCCCO1 BB12-3612 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.8 CNCC1CCCNC1 BB53-1684 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.8 CNCC1COCCO1 BB01-4575 [0,1,0,1,0,0|0,0,0]=2 128 B9R1.8 COCC1CCCCN1 BB56-0722 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.8 COCC1CCCNC1 BB31-7247 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.8 COCC1CCCNC1 BB53-1686 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.8 CSCC1CCCCN1 BB56-1708 [0,1,0,1,0,0|1,1,0]=4 132 B9R1.8 CSCC1CCCNC1 BB12-1129 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.8 ClCCN1CCNCC1 BB12-1507 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.8 N#CCC1CCCCN1 BB58-0211 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.8 N#CCC1CCCCO1 BB57-4940 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.8 N#CCC1CCCOC1 BB12-1754 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.8 NCCC1CCCCC1 BB55-8639 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.8 NCCC1CCCCO1 BB57-6510 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.8 NCCC1CCCNC1 BB12-2059 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.8 NCCC1CCCOC1 BB54-4864 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.8 NCCN1CCCCO1 BB58-3658 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.8 NCCN1CCOCC1 BB01-7791 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.8 O=CCC1CCCOC1 BB58-0314 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.8 OCCC1CCCCO1 BB58-1902 [0,1,0,1,0,0|0,0,0]=2 145 B9R1.8 OCCC1CCCOC1 BB58-0315 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.8 OCCC1CNCCO1 BB58-1901 [0,1,0,1,0,0|1,0,0]=3 147 B9R1.12 CCCCC1CCCN1 BB56-0702 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.12 CCCCC1CCNC1 BB56-1976 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.12 N#CCCN1CCCC1 BB12-1292 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.12 NCCCC1CCCC1 BB32-3179 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.12 NCCCC1CCOC1 BB54-1028 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.12 NCCSC1CCCC1 BB58-0597 [0,1,0,1,0,0|1,1,0]=4 153 B9R1.12 [C-]#[N+]CCN1CCCC1 BB56-1671 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.15 CC1CCCC\C1=N\O BB12-1622 [0,1,0,1,0,0|1,0,1]=4 155 B9R1.15 CN1CCCCC1CBr BB12-3106 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.15 CN1CCCCC1CCl BB55-5164 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.15 CN1CCCCC1CN BB53-1653 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB58-0623 [0,1,0,1,0,0|1,0,0]=3 159 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,1,0,1,0,0|1,0,1]=4 160 B9R1.69 OC1C[C@@H](O)[C@@H](O)CO1 BB58-2848 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.134 CC1(CC#N)OCCO1 BB54-2670 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.134 NCCC1(O)CCCC1 BB58-3596 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.14 CCN1CCCC1CBr BB12-2883 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.14 CCN1CCCC1CCl BB58-2153 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.14 CCN1CCCC1CO BB12-1536 [0,1,0,1,0,0|1,0,0]=3 166 B9R1.89 CCC1CCCNCC1 BB12-1654 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.89 CCN1CCCNCC1 BB58-1918 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.89 [C-]#[N+]C1CCCCCC1 BB56-1665 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.1 CCC1CCC(N)CC1 BB55-1074 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.1 CN1CCC(CO)CC1 BB05-4226 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.1 CN1CCC(CO)CC1 BB12-1540 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.11 CC(CCl)N1CCCC1 BB12-3604 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.11 CC(CN)N1CCCC1 BB53-1894 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.11 CCC(C)C1CCCN1 BB56-0692 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.118 CC1(CBr)COCCO1 BB58-5430 [0,1,0,1,0,0|1,0,0]=3 176 B9R1.118 CC1(CO)COCCO1 BB58-4947 [0,1,0,1,0,0|1,0,0]=3 177 B9R1.118 NCC1(O)CCCCC1 BB58-5223 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.6 CC(C)C1CCCCN1 BB56-1716 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.6 CC(N)C1CCCCN1 BB57-0751 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [0,1,0,1,0,0|0,0,1]=3 181 B9R1.6 O=C(O)C1COCCO1 BB58-3665 [0,1,0,1,0,0|1,0,1]=4 182 B9R1.13 CC(C)CC1CCCN1 BB56-0309 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.13 CC(N)CN1CCCC1 BB54-5342 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.24 CC1(C)OCCC1CO BB58-3834 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,1,0,1,0,0|1,0,1]=4 187 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [0,1,0,1,0,0|1,0,1]=4 188 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,1,0,1,0,0|0,1,1]=4 189 B9R1.148 CC1(C)CNCCCO1 BB58-3765 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.148 CC1(N)CCCCCC1 BB58-0625 [0,1,0,1,0,0|2,0,0]=4