0 B6R0.1 CCC(C)CCO 35939 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.1 COC(=O)CCBr 19970 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 COC(=O)CCN 10900 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 COC(C)CCO 35942 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.1 C[C@H](CO)CCO 30370 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.1 N#CC[C@@H](O)CCl 6274 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 N#CC[C@H](O)CCl 5929 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 O=C(CBr)CCBr 35308 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 OCC[C@@H](O)CO 29018 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 C#CCC(C)O 26123 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(=O)NCO 11062 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CC(Br)CCBr 3866 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CC(C)=CCBr 35170 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CC(C)CCI 3950 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 CC(C)CNN 18739 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CC(C)N=C=S 16501 [1,0,0,0,0,0|1,1,1]=4 16 B5R0.1 CC(N)CCO 29198 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 CCCC(C)N 26317 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CCC[C@@H](C)O 6721 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CCC[C@H](C)O 6719 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CCNC(C)C 10283 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CN(C)CC=O 26115 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.1 CN(C)CCS 35662 [1,0,0,0,0,0|1,1,0]=3 23 B5R0.1 COCC(C)O 1904 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 COC[C@@H](C)O 6714 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 COC[C@H](C)O 6715 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 C[C@@H](O)CCO 6724 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 C[C@H](O)CCO 6722 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 O=C(O)CCO 12598 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 O=[N+]([O-])CCO 14208 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.2 BrCCCCBr 3870 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.2 C#CCCCC 13057 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.2 C#CCCCCl 34956 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 C#CCCCO 2025 [1,0,0,0,0,0|0,0,2]=3 34 B5R0.2 CCC#CCBr 35958 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 CCCC#CO 13063 [1,0,0,0,0,0|0,0,2]=3 36 B5R0.2 CCCCCI 3960 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.2 CCCNCC 10270 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 CCOCCBr 12476 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 CCOCCCl 1932 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 CNCCCN 26279 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CNCCCO 30456 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.2 CNCCNC 31976 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.2 COCCC#N 24839 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 COCCC=O 24309 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.2 COCCCBr 11240 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 COCCCCl 18632 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 COCCCN 16804 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 COCCCO 1936 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.2 COCCOC 18652 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.2 ClCCCCBr 36136 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.2 ICCCCI 3842 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.2 N#CCCCBr 28726 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 N#CCCCCl 26537 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 NCCCCN 25424 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.2 OCCCCCl 17292 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.2 OCCCCCl 23235 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.2 OC\C=C\CCl 29079 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.2 OC\C=C\CO 13982 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.2 O\C=C\CCO 35113 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.3 C#CC(O)CC 26391 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.3 C=C[C@H](O)CO 19971 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.3 CCC(N)CO 14779 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.3 CCP(Cl)CC 6480 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.3 CC[C@@H](O)CO 14093 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.3 CC[C@H](C)C#N 32183 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.3 CC[C@H](C)CN 16256 [1,0,0,0,0,0|1,0,0]=2 67 B5R0.3 CC[C@H](O)CO 14096 [1,0,0,0,0,0|1,0,0]=2 68 B5R0.3 CO[C@@H](C)CN 17733 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.3 CO[C@@H](C)CN 17747 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.3 CO[C@@H](C)CO 26646 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.3 CO[C@H](C)CN 17734 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.3 CO[C@H](C)CN 17748 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.3 NC(CO)CO 11931 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.3 NC[C@@H](O)CO 5711 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.3 NC[C@H](O)CCl 34211 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.3 NC[C@H](O)CO 5712 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.3 O=C(CO)CO 4053 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.3 O=CC(O)CO 13962 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.3 O=C[C@@H](O)CO 6339 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 O=C[C@@H](O)CO 6340 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.3 O=C[C@H](O)CO 6338 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.3 OC(CCl)CCl 5871 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.3 OCC(O)CCl 21311 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.3 OCC(O)CO 16092 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.3 OC[C@@H](O)CCl 5741 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.3 OC[C@H](O)CCl 5740 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.2 C=CC(C)CC(=O)O 21406 [0,1,0,0,0,0|0,0,3]=4 88 B7R0.2 CC(C)C[C@@H](N)CO 12435 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.2 CC(C)C[C@H](N)CO 25957 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.2 CCC(C)CC(=O)O 11272 [0,1,0,0,0,0|0,0,1]=2 91 B7R0.2 CCC(N)CC(=O)O 13448 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.2 CC[C@@H](C)CC(=O)O 11275 [0,1,0,0,0,0|0,0,1]=2 93 B7R0.2 CC[C@H](C)CC(=O)O 11273 [0,1,0,0,0,0|0,0,1]=2 94 B7R0.2 CC\C(C)=C\C(=O)O 13986 [0,1,0,0,0,0|0,0,3]=4 95 B7R0.2 COC(=O)C[C@@H](C)O 13967 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.2 COC(=O)C[C@H](C)O 13965 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.2 NC[C@@H](O)CC(=O)O 5723 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.2 NC[C@H](O)CC(=O)O 5722 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.2 N[C@H](CO)CC(=O)O 30050 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.2 N[C@H](CO)CC(=O)O 30146 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.3 CC(CO)CCCO 25460 [0,1,0,0,0,0|1,0,0]=2 102 B7R0.3 CCCCC(Br)CBr 3891 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.3 CSCC[C@@H](N)CO 12299 [0,1,0,0,0,0|2,1,0]=4 104 B7R0.3 CSCC[C@H](N)CO 25150 [0,1,0,0,0,0|2,1,0]=4 105 B7R0.5 CCCC(C)C(=O)Cl 21794 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.5 CCCC(C)C(=O)O 2465 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.5 CCC[C@H](C)C(=O)O 5642 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.5 NC(CCO)C(=O)O 13833 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.5 N[C@@H](CCO)C(=O)O 11050 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.5 N[C@H](CCO)C(=O)O 13826 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.5 O=C(O)[C@@H](O)CCO 16051 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.7 CCCC(N)CCC 12594 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.7 CCOC(=O)CCBr 25427 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.7 CCOC(=O)CCN 10927 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.7 CCOP(C)OCC 35787 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.7 COCC(N)COC 23938 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.7 O=C(CCCl)CCCl 2482 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.10 COC(=O)C(N)CO 10908 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.10 COC(=O)[C@@H](N)CO 10895 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.10 COC(=O)[C@H](N)CO 10896 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.10 OC[C@@H](O)[C@H](O)CO 6771 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.11 CCO[C@@](C)(O)CO 25593 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.11 CCO[C@](C)(O)CO 25595 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.12 CCN(CC)CCCl 23589 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.12 CCN(CC)CCN 27422 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.12 CNCC(OC)OC 23368 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.12 COCC(OC)OC 12773 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.1 BrCC1CCCC1 3104 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.1 BrCC1CCCO1 6941 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.1 BrCC1CCOC1 24395 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.1 CCN1CCCC1 36488 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.1 CNC1CCNC1 11207 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.1 CNC1CCOC1 15123 [0,0,0,1,0,0|1,0,0]=2 134 B7R1.1 CNC1CCOC1 24384 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.1 CN[C@@H]1CCNC1 11209 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.1 CN[C@@H]1CCOC1 24382 [0,0,0,1,0,0|1,0,0]=2 137 B7R1.1 CN[C@@H]1CCOC1 24386 [0,0,0,1,0,0|1,0,0]=2 138 B7R1.1 CN[C@H]1CCNC1 11208 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.1 CN[C@H]1CCOC1 24380 [0,0,0,1,0,0|1,0,0]=2 140 B7R1.1 CN[C@H]1CCOC1 24385 [0,0,0,1,0,0|1,0,0]=2 141 B7R1.1 COC1CCNC1 19858 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.1 CO[C@@H]1CCNC1 14802 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.1 CO[C@H]1CCNC1 14801 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.1 ClCC1CCCO1 7061 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.1 N#CC1CCCC1 28731 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.1 N#CC1CCNC1 23030 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 N#CC1CCOC1 35991 [0,0,0,1,0,0|1,0,1]=3 148 B7R1.1 NCC1CCCO1 6998 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.1 NCC1CCNC1 11185 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.1 NC[C@@H]1CCCO1 14101 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.1 NC[C@@H]1CCCO1 17261 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.1 NC[C@@H]1CCNC1 11186 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.1 NC[C@@H]1CCOC1 20493 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.1 NC[C@H]1CCCN1 16320 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.1 NC[C@H]1CCCO1 7001 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.1 NC[C@H]1CCNC1 11187 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.1 NC[C@H]1CCOC1 20502 [0,0,0,1,0,0|1,0,0]=2 158 B7R1.1 NNC1CCCC1 16307 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.1 O=CC1CCCC1 27475 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.1 OCC1CCCC1 3097 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.1 OCC1CCCO1 7086 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.1 OCC1CCNC1 15733 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.1 OCC1CCNC1 15883 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.1 OCC1CCOC1 20510 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.1 OC[C@@H]1CCCN1 6910 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.1 OC[C@@H]1CCCO1 26288 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.1 OC[C@@H]1CCNC1 18724 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.1 OC[C@H]1CCCN1 6912 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.1 OC[C@H]1CCCO1 26287 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.1 OC[C@H]1CCNC1 18723 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.2 CC1COC(=O)C1 35360 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.2 CN1CCC(=O)C1 20342 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.2 CN1CCC(N)C1 15706 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.2 CN1CCC(O)C1 14117 [0,0,0,1,0,0|1,0,0]=2 175 B7R1.2 CN1CC[C@@H](O)C1 13969 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.2 N[C@@H]1CC[C@@H](O)C1 20430 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.2 N[C@@H]1CC[C@@H](O)C1 23914 [0,0,0,1,0,0|1,0,0]=2 179 B7R1.2 N[C@H]1CC[C@@H](O)C1 32220 [0,0,0,1,0,0|1,0,0]=2 180 B7R1.2 O=C1CC(O)CO1 35886 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.2 O=C1C[C@@H](O)CN1 6351 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.2 O=C1C[C@@H](O)CO1 6051 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.2 O=C1C[C@H](O)CN1 19064 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.2 O=C1C[C@H](O)CO1 6050 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.3 BrC1CCCCN1 6734 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.3 BrC1CCCNC1 6733 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.3 BrC1CCNCC1 9060 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.3 BrC1CCOCC1 13108 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.3 CC1CCCCN1 7704 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.3 CC1CCCNC1 7705 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.3 CC1CCNCC1 7707 [0,0,0,1,0,0|1,0,0]=2 192 B7R1.3 CC1CNCCN1 8560 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.3 CC1CNCCO1 14222 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.3 CC1COCCN1 14221 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.3 CC1COCCN1 17245 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.3 CN1CCCCC1 7703 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.3 CN1CCNCC1 15033 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.3 CN1CCNCC1 8561 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.3 CN1CCOCC1 17627 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.3 CN1CCOCC1 18300 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.3 C[C@@H]1CCCCN1 14248 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.3 C[C@@H]1CNCCN1 13111 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.3 C[C@@H]1CNCCN1 15034 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.3 C[C@@H]1CNCCO1 15013 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.3 C[C@@H]1CNCCO1 17029 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.3 C[C@@H]1COCCN1 11363 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.3 C[C@@H]1COCCN1 17244 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.3 C[C@H]1CCCCN1 15597 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.3 C[C@H]1CNCCN1 15035 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.3 C[C@H]1CNCCO1 11359 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.3 C[C@H]1CNCCO1 17028 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.3 C[C@H]1COCCN1 11364 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.3 C[C@H]1COCCN1 17226 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.3 ClC1CCCCN1 6738 [0,0,0,1,0,0|3,0,0]=4 215 B7R1.3 ClC1CCNCC1 30446 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.3 ClC1CCNCC1 6744 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.3 ClC1CCOCC1 36112 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.3 FC1CCCNC1 24370 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.3 FC1CCNCC1 44985 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.3 F[C@@H]1CCCNC1 24371 [0,0,0,1,0,0|3,0,0]=4 221 B7R1.3 F[C@H]1CCCNC1 24372 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.3 IC1CCOCC1 44921 [0,0,0,1,0,0|1,0,0]=2 223 B7R1.3 NC1CCCCN1 6729 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.3 NC1CCCNC1 6731 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.3 NC1CCCNC1 6755 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.3 NC1CCCOC1 20424 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.3 NC1CCNCC1 6727 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.3 NC1CCNCC1 7722 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.3 NC1CCOCC1 22240 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.3 NC1CCOCC1 26069 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.3 NC1CCOCC1 9558 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.3 NC1CCOCC1 9675 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.3 NC1CCSCC1 18748 [0,0,0,1,0,0|1,1,0]=3 234 B7R1.3 NN1CCCCC1 23024 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.3 NN1CCCCC1 23261 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.3 NN1CCOCC1 14486 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.3 N[C@@H]1CCCNC1 3013 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.3 N[C@@H]1CCCOC1 19625 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.3 N[C@@H]1CCCOC1 22289 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.3 N[C@H]1CCCNC1 11476 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.3 N[C@H]1CCCOC1 19623 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.3 N[C@H]1CCCOC1 22290 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.3 O=C1CCNCC1 6789 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.3 O=C1CCNCC1 7756 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.3 O=C1CCOCC1 9557 [0,0,0,1,0,0|1,0,1]=3 246 B7R1.3 O=C1CCSCC1 18603 [0,0,0,1,0,0|1,1,1]=4 247 B7R1.3 OC1CCCCN1 6787 [0,0,0,1,0,0|3,0,0]=4 248 B7R1.3 OC1CCCNC1 6782 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.3 OC1CCCNC1 6818 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.3 OC1CCCOC1 20064 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.3 OC1CCNCC1 6780 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.3 OC1CCNCC1 7714 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.3 OC1CCOCC1 10170 [0,0,0,1,0,0|1,0,0]=2 254 B7R1.3 O[C@@H]1CCCNC1 11310 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.3 O[C@@H]1CCCNC1 24363 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.3 O[C@@H]1CCCOC1 24398 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.3 O[C@H]1CCCNC1 11309 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.3 O[C@H]1CCCNC1 24364 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.3 O[C@H]1CCCOC1 24399 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.4 CC1CCNC1=O 18075 [0,0,0,1,0,0|2,0,1]=4 261 B7R1.4 CC1OCCC1=O 7120 [0,0,0,1,0,0|1,0,1]=3 262 B7R1.4 CC1OCCC1S 9972 [0,0,0,1,0,0|1,0,0]=2 263 B7R1.4 NC1CCOC1=O 6982 [0,0,0,1,0,0|2,0,1]=4 264 B7R1.4 N[C@@H]1CCC[C@H]1O 11874 [0,0,0,1,0,0|3,0,0]=4 265 B7R1.4 N[C@@H]1CCOC1=O 14743 [0,0,0,1,0,0|2,0,1]=4 266 B7R1.4 N[C@H]1CCC[C@@H]1O 27232 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.4 N[C@H]1CCOC1=O 13830 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.4 O=C1OCCC1Br 10714 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.6 COCC1CNC1 26682 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.6 OCCN1CCC1 34771 [0,0,0,1,0,0|1,0,0]=2 271 B7R1.10 N[C@H]1C[C@@H](CO)C1 26630 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.22 COC(=O)C1CO1 35239 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.22 COC(=O)[C@H]1CO1 36331 [0,0,0,1,0,0|2,0,1]=4 274 B7R1.25 CC1(CN)COC1 24311 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.25 CC1(CO)COC1 14170 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.25 COC1(C)CNC1 31879 [0,0,0,1,0,0|3,0,0]=4 277 B4R0.1 C#C[C@@H](C)O 20211 [2,0,0,0,0,0|0,0,2]=4 278 B4R0.1 CC(C)CI 3951 [2,0,0,0,0,0|1,0,0]=3 279 B4R0.1 CC(C)NN 26972 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 CC(O)CBr 12555 [2,0,0,0,0,0|1,0,0]=3 281 B4R0.1 CC=C(C)C 2026 [2,0,0,0,0,0|0,0,2]=4 282 B4R0.1 CCB(O)O 7960 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.1 CCC(C)Br 3753 [2,0,0,0,0,0|1,0,0]=3 284 B4R0.1 CCC(C)I 3940 [2,0,0,0,0,0|1,0,0]=3 285 B4R0.1 CCC(C)O 6718 [2,0,0,0,0,0|0,0,0]=2 286 B4R0.1 CCN(C)C 10322 [2,0,0,0,0,0|1,0,0]=3 287 B4R0.1 CC[C@@H](C)N 6741 [2,0,0,0,0,0|1,0,0]=3 288 B4R0.1 CC[C@@H](C)O 6717 [2,0,0,0,0,0|0,0,0]=2 289 B4R0.1 CC[C@H](C)N 6743 [2,0,0,0,0,0|1,0,0]=3 290 B4R0.1 CNC(C)C 10279 [2,0,0,0,0,0|1,0,0]=3 291 B4R0.1 C[C@@H](Cl)CO 8287 [2,0,0,0,0,0|1,0,0]=3 292 B4R0.1 C[C@@H](N)CN 29215 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.1 C[C@@H](N)CO 9884 [2,0,0,0,0,0|1,0,0]=3 294 B4R0.1 C[C@@H](O)CBr 23955 [2,0,0,0,0,0|1,0,0]=3 295 B4R0.1 C[C@@H](O)CCl 14071 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.1 C[C@@H](O)CI 23956 [2,0,0,0,0,0|1,0,0]=3 297 B4R0.1 C[C@@H](O)CN 5721 [2,0,0,0,0,0|1,0,0]=3 298 B4R0.1 C[C@@H](O)CO 5857 [2,0,0,0,0,0|1,0,0]=3 299 B4R0.1 C[C@H](Cl)CO 8285 [2,0,0,0,0,0|1,0,0]=3 300 B4R0.1 C[C@H](N)CN 15232 [2,0,0,0,0,0|2,0,0]=4 301 B4R0.1 C[C@H](N)CO 5710 [2,0,0,0,0,0|1,0,0]=3 302 B4R0.1 C[C@H](O)CBr 20478 [2,0,0,0,0,0|1,0,0]=3 303 B4R0.1 C[C@H](O)CCl 14072 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.1 C[C@H](O)CN 5720 [2,0,0,0,0,0|1,0,0]=3 305 B4R0.1 C[C@H](O)CO 5853 [2,0,0,0,0,0|1,0,0]=3 306 B4R0.1 OCC(F)F 26977 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.1 [C-]#[N+]C(C)C 29396 [2,0,0,0,0,0|1,0,1]=4 308 B4R0.2 C#CCCO 13071 [2,0,0,0,0,0|0,0,2]=4 309 B4R0.2 C=CCCO 18909 [2,0,0,0,0,0|0,0,2]=4 310 B4R0.2 CC#CCO 13061 [2,0,0,0,0,0|0,0,2]=4 311 B4R0.2 CCCCBr 3752 [2,0,0,0,0,0|1,0,0]=3 312 B4R0.2 CCCCI 3939 [2,0,0,0,0,0|1,0,0]=3 313 B4R0.2 CCNCC 14036 [2,0,0,0,0,0|1,0,0]=3 314 B4R0.2 CCNCC 17237 [2,0,0,0,0,0|1,0,0]=3 315 B4R0.2 CCOCCl 18683 [2,0,0,0,0,0|2,0,0]=4 316 B4R0.2 CC[B+]CC 26091 [2,0,0,0,0,0|1,0,0]=3 317 B4R0.2 CNCCCl 35179 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.2 CNCCN 4020 [2,0,0,0,0,0|2,0,0]=4 319 B4R0.2 COCCBr 2138 [2,0,0,0,0,0|2,0,0]=4 320 B4R0.2 COCCCl 1911 [2,0,0,0,0,0|2,0,0]=4 321 B4R0.2 COCCO 35138 [2,0,0,0,0,0|1,0,0]=3 322 B4R0.2 CSCCCl 35891 [2,0,0,0,0,0|2,0,0]=4 323 B4R0.2 CSCCN 19131 [2,0,0,0,0,0|2,0,0]=4 324 B4R0.2 CSCCO 10846 [2,0,0,0,0,0|1,0,0]=3 325 B4R0.2 C\C=C\CC 19602 [2,0,0,0,0,0|0,0,2]=4 326 B4R0.2 C\C=C\CO 21075 [2,0,0,0,0,0|0,0,2]=4 327 B4R0.2 ICCCI 3858 [2,0,0,0,0,0|2,0,0]=4 328 B4R0.2 N#CCCO 22156 [2,0,0,0,0,0|1,0,1]=4 329 B4R0.2 NCCCBr 18801 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.2 NCCCN 10839 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.2 NNCCO 45109 [2,0,0,0,0,0|2,0,0]=4 332 B6R0.2 CC(C)CB(O)O 7976 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.2 CC(C)[NH2+]C(C)C 30286 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.2 CC(N)CN(C)C 21318 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.2 CC(O)CC(=O)O 13860 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.2 CN(C)CC(=O)O 21520 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.2 C[C@@H](N)CC(=O)O 30087 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.2 C[C@@H](O)C[C@@H](C)O 6726 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.2 C[C@H](N)CC(=O)O 13856 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.2 C[C@H](N)CN(C)C 31826 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.2 C[C@H](O)C[C@H](C)O 6728 [1,1,0,0,0,0|1,0,0]=3 342 B6R0.3 CC(C)C(=O)CBr 35792 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.3 CC(C)[C@@H](N)CO 5789 [1,1,0,0,0,0|0,0,0]=2 344 B6R0.3 CC(C)[C@H](N)CO 5790 [1,1,0,0,0,0|0,0,0]=2 345 B6R0.4 CC(Br)CCCBr 12546 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.4 CC(C)NCCN 8612 [1,1,0,0,0,0|1,0,0]=3 347 B6R0.4 CCCC[C@@H](C)N 6753 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.4 CCCC[C@@H](C)O 6730 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.4 CCCC[C@H](C)N 6750 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.4 CCCC[C@H](C)O 6732 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.4 CN(C)CCCCl 20698 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.4 CNCCC(C)C 16229 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.4 COCCC(O)Br 10478 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.5 CC(C)(C)CC=O 3076 [1,1,0,0,0,0|0,0,2]=4 355 B6R0.5 CC(C)(C)CCO 3096 [1,1,0,0,0,0|0,0,0]=2 356 B6R0.5 C[N+](C)(C)CCO 26426 [1,1,0,0,0,0|1,0,0]=3 357 B6R0.5 C[Si](C)(C)CCO 2617 [1,1,0,0,0,0|0,1,0]=3 358 B6R0.5 OCCC(F)(F)F 29002 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.6 BrCCCCCBr 3909 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.6 C#CCCCCC 13058 [1,1,0,0,0,0|1,0,0]=3 361 B6R0.6 C#CCCCCO 13078 [1,1,0,0,0,0|0,0,1]=3 362 B6R0.6 CC#CCCCO 13089 [1,1,0,0,0,0|0,0,1]=3 363 B6R0.6 CCCC#CCO 13064 [1,1,0,0,0,0|0,0,1]=3 364 B6R0.6 CCCCCC=O 3077 [1,1,0,0,0,0|0,0,1]=3 365 B6R0.6 CCCCCCBr 3776 [1,1,0,0,0,0|1,0,0]=3 366 B6R0.6 CCCCCCI 3945 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.6 CCCCNCC 10254 [1,1,0,0,0,0|1,0,0]=3 368 B6R0.6 CCCCOCC 12525 [1,1,0,0,0,0|1,0,0]=3 369 B6R0.6 CCCOCCCl 14348 [1,1,0,0,0,0|1,0,0]=3 370 B6R0.6 CCC\C=C\CO 18917 [1,1,0,0,0,0|0,0,1]=3 371 B6R0.6 CCOCCC#N 24829 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.6 CCOCCCO 1937 [1,1,0,0,0,0|0,0,0]=2 373 B6R0.6 COCCCCCl 1935 [1,1,0,0,0,0|1,0,0]=3 374 B6R0.6 COCCCCO 1938 [1,1,0,0,0,0|0,0,0]=2 375 B6R0.6 COCCOCCl 10093 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.6 ClCCCCCBr 15271 [1,1,0,0,0,0|1,0,0]=3 377 B6R0.6 ClCCNCCCl 14168 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.6 ClCCOCCCl 18689 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.6 ICCCCCI 3853 [1,1,0,0,0,0|1,0,0]=3 380 B6R0.6 N#CCCCCBr 26949 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.6 N#CCCCCCl 25473 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.6 NCCOCCN 31824 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.6 NCCOCCN 31825 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.6 O=CCCCCCl 27418 [1,1,0,0,0,0|0,0,2]=4 385 B6R0.6 OCCCCCBr 22989 [1,1,0,0,0,0|0,0,0]=2 386 B6R0.6 OCCSCCO 35355 [1,1,0,0,0,0|1,0,0]=3 387 B6R0.8 CC(C)(CO)CO 22258 [1,1,0,0,0,0|1,0,0]=3 388 B6R0.8 CNC(C)(C)CO 35872 [1,1,0,0,0,0|1,0,0]=3 389 B6R0.8 COC(C)(C)OC 9768 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.9 CCN(CC)CC 18205 [1,1,0,0,0,0|1,0,0]=3 391 B6R0.9 CC[O+](CC)CC 36159 [1,1,0,0,0,0|1,0,0]=3 392 B6R0.9 CC[O+](CC)CC 8099 [1,1,0,0,0,0|1,0,0]=3 393 B6R0.9 CC[SiH](CC)CC 12847 [1,1,0,0,0,0|0,1,0]=3 394 B6R0.9 COC(CBr)OC 31980 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.9 COC(CCl)OC 31982 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.9 COC(CN)OC 31983 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.9 COC(CO)OC 35929 [1,1,0,0,0,0|1,0,0]=3 398 B8R0.2 CCC(C)C(N)C(=O)O 12389 [0,2,0,0,0,0|0,0,1]=3 399 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 17263 [0,2,0,0,0,0|0,0,1]=3 400 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 15615 [0,2,0,0,0,0|0,0,1]=3 401 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 12311 [0,2,0,0,0,0|0,0,1]=3 402 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O 21625 [0,2,0,0,0,0|0,0,1]=3 403 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O 34990 [0,2,0,0,0,0|0,0,2]=4 404 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O 35398 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O 20963 [0,2,0,0,0,0|1,0,1]=4 406 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [0,2,0,0,0,0|1,0,1]=4 408 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [0,2,0,0,0,0|1,0,1]=4 409 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [0,2,0,0,0,0|1,0,1]=4 410 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.23 CC(C)[C@@H](N)CC(=O)O 30142 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.23 CC(C)[C@@H](N)CC(=O)O 30151 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.23 CC(C)[C@H](N)CC(=O)O 23284 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.23 CC(C)[C@H](N)CC(=O)O 30172 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.23 C[C@@H](O)[C@@H](N)CC(=O)O 24543 [0,2,0,0,0,0|1,0,1]=4 416 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 24541 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O 24542 [0,2,0,0,0,0|1,0,1]=4 418 B8R0.23 C[C@H](O)[C@H](N)CC(=O)O 24540 [0,2,0,0,0,0|1,0,1]=4 419 B8R0.3 CCOC(=O)[C@@H](N)CO 19044 [0,2,0,0,0,0|1,0,1]=4 420 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO 23084 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.3 O=CC[C@H](O)[C@H](O)CO 14148 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] 14438 [0,2,0,0,0,0|1,0,1]=4 423 B8R0.11 CCN(CC)CCCCl 28210 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.14 OCC[C@@H](O)C(F)(F)F 11297 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.14 OCC[C@H](O)C(F)(F)F 11302 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.22 CCOC(CBr)OCC 9973 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.22 CCOC(CC)OCC 32331 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.22 CCOC(CCl)OCC 18626 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.22 CCOC(CN)OCC 21113 [0,2,0,0,0,0|2,0,0]=4 430 B6R1.2 BrC1CCOC1 26260 [1,0,0,1,0,0|1,0,0]=3 431 B6R1.2 CC1CCCN1 11112 [1,0,0,1,0,0|2,0,0]=4 432 B6R1.2 CC1CCCN1 9410 [1,0,0,1,0,0|2,0,0]=4 433 B6R1.2 CC1CCCO1 10841 [1,0,0,1,0,0|2,0,0]=4 434 B6R1.2 CC1CCCS1 12832 [1,0,0,1,0,0|2,0,0]=4 435 B6R1.2 CC1CCNC1 19859 [1,0,0,1,0,0|1,0,0]=3 436 B6R1.2 CN1CCCC1 11143 [1,0,0,1,0,0|2,0,0]=4 437 B6R1.2 C[C@@H]1CCCN1 11117 [1,0,0,1,0,0|2,0,0]=4 438 B6R1.2 C[C@@H]1CCCN1 15593 [1,0,0,1,0,0|2,0,0]=4 439 B6R1.2 C[C@H]1CCCN1 11115 [1,0,0,1,0,0|2,0,0]=4 440 B6R1.2 C[C@H]1CCCN1 15594 [1,0,0,1,0,0|2,0,0]=4 441 B6R1.2 F[C@H]1CCNC1 35776 [1,0,0,1,0,0|2,0,0]=4 442 B6R1.2 NC1CCNC1 20096 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.2 NC1CCNC1 30371 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.2 NC1CCNC1 9196 [1,0,0,1,0,0|2,0,0]=4 445 B6R1.2 NC1CCOC1 20203 [1,0,0,1,0,0|1,0,0]=3 446 B6R1.2 NC1CCOC1 24733 [1,0,0,1,0,0|1,0,0]=3 447 B6R1.2 N[C@@H]1CCNC1 5728 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.2 N[C@@H]1CCNC1 5730 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.2 N[C@@H]1CCOC1 12612 [1,0,0,1,0,0|1,0,0]=3 450 B6R1.2 N[C@@H]1CCOC1 15496 [1,0,0,1,0,0|1,0,0]=3 451 B6R1.2 N[C@H]1CCNC1 11156 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.2 N[C@H]1CCNC1 5729 [1,0,0,1,0,0|2,0,0]=4 453 B6R1.2 N[C@H]1CCOC1 15126 [1,0,0,1,0,0|1,0,0]=3 454 B6R1.2 O=C1CCOC1 15127 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.2 OC1CCCC1 20387 [1,0,0,1,0,0|2,0,0]=4 456 B6R1.2 OC1CCNC1 11118 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.2 OC1CCNC1 17435 [1,0,0,1,0,0|2,0,0]=4 458 B6R1.2 O[C@@H]1CCNC1 7469 [1,0,0,1,0,0|2,0,0]=4 459 B6R1.2 O[C@@H]1CCOC1 11341 [1,0,0,1,0,0|1,0,0]=3 460 B6R1.2 O[C@@H]1CCOC1 7071 [1,0,0,1,0,0|1,0,0]=3 461 B6R1.2 O[C@H]1CCNC1 14064 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.2 O[C@H]1CCNC1 15695 [1,0,0,1,0,0|2,0,0]=4 463 B6R1.2 O[C@H]1CCNC1 8981 [1,0,0,1,0,0|2,0,0]=4 464 B6R1.2 O[C@H]1CCOC1 16209 [1,0,0,1,0,0|1,0,0]=3 465 B6R1.3 N#CCC1CC1 28859 [1,0,0,1,0,0|1,0,1]=4 466 B6R1.3 NCCN1CC1 14229 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.3 OCCC1CC1 28819 [1,0,0,1,0,0|0,0,0]=2 468 B6R1.10 CC1(C)CNC1 30379 [1,0,0,1,0,0|2,0,0]=4 469 B6R1.1 C1=COCCC1 9508 [1,0,0,1,0,0|0,0,2]=4 470 B6R1.1 C1CCNCC1 21964 [1,0,0,1,0,0|1,0,0]=3 471 B6R1.1 C1CCNCC1 7701 [1,0,0,1,0,0|1,0,0]=3 472 B6R1.1 C1CCOCC1 9509 [1,0,0,1,0,0|0,0,0]=2 473 B6R1.1 C1CCSCC1 10562 [1,0,0,1,0,0|0,1,0]=3 474 B6R1.1 C1CNCCN1 19047 [1,0,0,1,0,0|2,0,0]=4 475 B6R1.1 C1CNCCN1 24459 [1,0,0,1,0,0|2,0,0]=4 476 B6R1.1 C1COCCN1 15002 [1,0,0,1,0,0|1,0,0]=3 477 B6R1.1 C1COCCN1 18231 [1,0,0,1,0,0|1,0,0]=3 478 B6R1.1 C1CSCCN1 15746 [1,0,0,1,0,0|1,1,0]=4 479 B6R1.6 BrCC1CCC1 23272 [1,0,0,1,0,0|1,0,0]=3 480 B6R1.6 N#CC1CCC1 25445 [1,0,0,1,0,0|1,0,1]=4 481 B6R1.6 NCC1CCC1 21304 [1,0,0,1,0,0|1,0,0]=3 482 B6R1.6 NCC1COC1 23208 [1,0,0,1,0,0|2,0,0]=4 483 B6R1.6 O=CC1CCC1 23840 [1,0,0,1,0,0|0,0,2]=4 484 B6R1.6 OCC1CCC1 23465 [1,0,0,1,0,0|0,0,0]=2 485 B6R1.6 OCC1CNC1 19094 [1,0,0,1,0,0|1,0,0]=3 486 B6R1.6 OCC1COC1 29376 [1,0,0,1,0,0|1,0,0]=3 487 B6R1.7 NC1(CO)CC1 24736 [1,0,0,1,0,0|1,0,0]=3 488 B6R1.7 NC1(CO)CC1 25828 [1,0,0,1,0,0|1,0,0]=3 489 B6R1.7 NCC1(O)CC1 23773 [1,0,0,1,0,0|2,0,0]=4 490 B8R1.1 O=C1CCC(CO)N1 21689 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.1 O=C1CCC(CO)O1 21691 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.1 O=C1CC[C@@H](CO)N1 13847 [0,1,0,1,0,0|1,0,1]=4 493 B8R1.1 O=C1CC[C@@H](CO)O1 7065 [0,1,0,1,0,0|1,0,1]=4 494 B8R1.1 O=C1CC[C@H](CO)N1 13848 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.1 O=C1CC[C@H](CO)O1 21692 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.1 O=C1C[C@H](CF)CO1 29192 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 14165 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 35211 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.1 OC[C@@H]1C[C@H](F)CN1 23643 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.4 BrC1CNCC(Br)C1 6745 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.4 CC1CCNC(C)C1 6757 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.4 CC1CNCC(C)C1 7709 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.4 CC1CNCC(C)N1 8571 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.4 CN1CCCC(O)C1 6759 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.4 C[C@@H]1CN(C)CCN1 35531 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 24849 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 35396 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.4 C[C@H]1CCC[C@@H](C)N1 35553 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.4 C[C@H]1CNC[C@@H](C)N1 35970 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.4 C[C@H]1CNC[C@@H](C)O1 16624 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.4 NC1CCCC(O)C1 12673 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.4 N[C@@H]1CCC[C@H](O)C1 19468 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.4 N[C@H]1CCC[C@@H](N)C1 19481 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.4 N[C@H]1CCC[C@H](N)C1 19480 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.4 N[C@H]1CCC[C@H](O)C1 19472 [0,1,0,1,0,0|1,0,0]=3 516 B8R1.4 OC1CCCC(O)C1 44853 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.18 CC1=NC(C)OC1C 8654 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.18 CC1CC(=O)N(C)C1 24945 [0,1,0,1,0,0|0,0,2]=4 519 B8R1.2 BrCC1CCCCC1 3103 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.2 BrCC1CCNCC1 18594 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.2 BrCC1CCOCC1 9559 [0,1,0,1,0,0|0,0,0]=2 522 B8R1.2 CCC1CCCCN1 6758 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.2 CCN1CCCCC1 7713 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.2 CCN1CCNCC1 8562 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.2 CC[C@@H]1CCCCN1 15599 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.2 CC[C@@H]1COCCN1 11361 [0,1,0,1,0,0|0,0,0]=2 527 B8R1.2 CC[C@@H]1COCCN1 17027 [0,1,0,1,0,0|0,0,0]=2 528 B8R1.2 CC[C@H]1CCCCN1 15598 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.2 CC[C@H]1CNCCO1 11357 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.2 CC[C@H]1CNCCO1 17498 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.2 CC[C@H]1COCCN1 11362 [0,1,0,1,0,0|0,0,0]=2 532 B8R1.2 CC[C@H]1COCCN1 17024 [0,1,0,1,0,0|0,0,0]=2 533 B8R1.2 CNC1CCCNC1 6874 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.2 CNC1CCOCC1 17652 [0,1,0,1,0,0|0,0,0]=2 535 B8R1.2 COC1CCNCC1 8024 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.2 ClCC1CCCCC1 9647 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.2 N#CC1CCCOC1 19542 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.2 N#CC1CCNCC1 23464 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.2 N#CC1CCNCC1 9349 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.2 NCC1CCCCC1 20540 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.2 NCC1CCCCN1 6725 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.2 NCC1CCCNC1 35502 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.2 NCC1CCCNC1 6723 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.2 NCC1CCCOC1 14606 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.2 NCC1CCCOC1 16813 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.2 NCC1CCNCC1 6720 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.2 NCC1CCOCC1 9707 [0,1,0,1,0,0|0,0,0]=2 548 B8R1.2 NCC1CCOCC1 9728 [0,1,0,1,0,0|0,0,0]=2 549 B8R1.2 NC[C@@H]1COCCO1 44854 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.2 NNC1CCCCC1 24152 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.2 NNC1CCCCC1 33541 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.2 NNC1CCCCC1 33542 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.2 NNC1CCOCC1 27377 [0,1,0,1,0,0|1,0,0]=3 554 B8R1.2 NNC1CCOCC1 32391 [0,1,0,1,0,0|1,0,0]=3 555 B8R1.2 O=CC1CCCCC1 3082 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.2 O=CC1CCCOC1 23588 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.2 O=CC1CCNCC1 20422 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.2 O=CC1CCNCC1 6774 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.2 O=CC1CCOCC1 9736 [0,1,0,1,0,0|0,0,1]=3 560 B8R1.2 O=CN1CCOCC1 15134 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.2 OCC1CCCCC1 3098 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.2 OCC1CCCCN1 6779 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.2 OCC1CCCCO1 9734 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.2 OCC1CCCNC1 6775 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.2 OCC1CCCOC1 35472 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.2 OCC1CCCOC1 35472 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.2 OCC1CCNCC1 6777 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.2 OCC1CCNCC1 6819 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.2 OCC1CCOCC1 7872 [0,1,0,1,0,0|0,0,0]=2 570 B8R1.2 OC[C@@H]1CCCNC1 16103 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.2 OC[C@@H]1CNCCO1 24738 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.2 OC[C@@H]1COCCN1 11411 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.2 OC[C@@H]1COCCN1 21793 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.2 OC[C@H]1CCCNC1 16102 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.2 OC[C@H]1CNCCO1 25361 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.2 OC[C@H]1COCCN1 11412 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.2 OC[C@H]1COCCN1 16824 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.2 [C-]#[N+]C1CCCCC1 20479 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.3 BrC1CCC(Br)NC1 6747 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.3 CC1CNC(C)CN1 8570 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.3 CN1CCC(=O)CC1 8508 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.3 CN1CCC(Cl)CC1 2461 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.3 CN1CCC(Cl)CC1 6735 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.3 CN1CCC(N)CC1 3981 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.3 CN1CCC(N)CC1 7619 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.3 CN1CCC(O)CC1 2460 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.3 CN1CCN(C)CC1 8569 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.3 CN1CCN(N)CC1 8577 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.3 C[C@H]1CC[C@H](N)CC1 20721 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.3 C[C@H]1CN[C@H](C)CN1 15878 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.3 NC1CCC(Cl)CN1 6752 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.3 N[C@H]1CC[C@@H](N)CC1 15131 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.3 N[C@H]1CC[C@@H](O)CC1 20492 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.3 N[C@H]1CC[C@@H](O)CC1 24009 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.3 N[C@H]1CC[C@@H](O)CC1 24394 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.3 N[C@H]1CC[C@H](N)CC1 15132 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.3 N[C@H]1CC[C@H](O)CC1 19763 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.3 N[C@H]1CC[C@H](O)CC1 5726 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.3 O=C1CCC(O)CN1 20072 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.3 O=C1CC[C@@H](O)CN1 20077 [0,1,0,1,0,0|1,0,1]=4 601 B8R1.3 O=C1CC[C@H](O)CN1 20075 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.3 OC1CCC(O)CC1 10843 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.3 OC1CSC(O)CS1 20480 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.3 O[C@H]1CC[C@H](O)CC1 24603 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.5 CC1CCCCC1=O 15725 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.5 CC1CCCCC1O 10840 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.5 CC1CCCNC1C 6756 [0,1,0,1,0,0|1,0,0]=3 608 B8R1.5 CC1CNCCN1C 9353 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.5 NC1CCCCC1O 35400 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.5 NC1COCCC1O 26557 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.5 N[C@@H]1CCCC[C@@H]1O 15185 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.5 N[C@@H]1CCCC[C@H]1N 5751 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.5 N[C@@H]1CCCC[C@H]1O 15120 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.5 N[C@@H]1CCCC[C@H]1O 15180 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.5 N[C@@H]1CCCC[C@H]1O 19553 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.5 N[C@@H]1CCOC[C@H]1O 27274 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.5 N[C@H]1CCCC[C@@H]1N 11249 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.5 N[C@H]1CCCC[C@@H]1N 5753 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.5 N[C@H]1CCCC[C@@H]1O 15181 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.5 N[C@H]1CCCC[C@@H]1O 17368 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.5 N[C@H]1CCCC[C@H]1N 30381 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.5 N[C@H]1CCCC[C@H]1O 14514 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.5 N[C@H]1CCCC[C@H]1O 15183 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.5 N[C@H]1CCCC[C@H]1O 19551 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.5 O=C1CCOCC1F 26608 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.22 N[C@@H]1CCCCNC1 22272 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.52 OCC1(F)CCCC1 34878 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.7 CC(=O)C1CCCC1 16480 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.7 CN(C)C1CCNC1 11210 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.7 CN(C)[C@@H]1CCNC1 24854 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.7 CN(C)[C@@H]1CCNC1 6304 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.7 CN(C)[C@H]1CCNC1 6306 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.7 O=C(Cl)C1CCOC1 30317 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.7 O=C(O)C1CCOC1 22077 [0,1,0,1,0,0|1,0,1]=4 635 B8R1.8 BrCCC1OCCO1 35931 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.8 COCC1CCCN1 23933 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.8 COC[C@@H]1CCCN1 18171 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.8 COC[C@H]1CCCN1 8186 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.8 ClCCN1CCCC1 9357 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.8 NCCC1OCCO1 16803 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.8 NCCN1CCCC1 19139 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.8 NCC[C@H]1CCCN1 20494 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.8 OCCN1CCCC1 16773 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.11 CN1CCCC1CO 9180 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.11 CN1CCC[C@H]1CO 7069 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.72 CC1(C)CCCNC1 10316 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.72 CC1(C)CCNCC1 36087 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.72 CC1(C)CCNCC1 8038 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.72 CC1(O)CCCCC1 20381 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.72 CC1(O)CCCCC1 26390 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.72 CC1(O)CCNCC1 17607 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.72 CC1(O)CCNCC1 30335 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.72 C[N+]1([O-])CCOCC1 16095 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.72 C[N+]1([O-])CCOCC1 16096 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.72 C[N+]1([O-])CCOCC1 18767 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.72 C[Si]1(C)CCCCC1 27252 [0,1,0,1,0,0|1,1,0]=4 657 B8R1.72 FC1(F)CCNCC1 6797 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.82 N#CCC1(CO)CC1 10345 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.60 CCC1(CO)COC1 21978 [0,1,0,1,0,0|2,0,0]=4 660 B8R2.34 C1=CC2CCC1C2 21060 [0,0,0,2,0,0|1,0,1]=4 661 B8R2.34 C1CC2CCC1C2 21603 [0,0,0,2,0,0|1,0,0]=3 662 B8R2.34 C1O[C@H]2CN[C@@H]1C2 35401 [0,0,0,2,0,0|1,0,0]=3