0 B5R0.2 BrCCCCBr 3870 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 BrC\C=C\CBr 9987 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C#CCCCC 13057 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C#CCCCCl 34956 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C#CCCCO 2025 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.2 C=COCCCl 17316 [0,0,0,0,0,0|1,1,2]=4 6 B5R0.2 CCC#CCBr 35958 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 CCCC#CO 13063 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.2 CCCCCI 3960 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.2 CCCNCC 10270 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.2 CCOCCBr 12476 [0,0,0,0,0,0|1,1,0]=2 11 B5R0.2 CCOCCCl 1932 [0,0,0,0,0,0|1,1,0]=2 12 B5R0.2 CNCCCN 26279 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CNCCCO 30456 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.2 CNCCNC 31976 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.2 COCCC#N 24839 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 COCCC=O 24309 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.2 COCCCBr 11240 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 COCCCCl 18632 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.2 COCCCN 16804 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.2 COCCCO 1936 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.2 COCCOC 18652 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.2 ClCC#CCCl 35604 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.2 ClCCCCBr 36136 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.2 ClC\C=C\CCl 18743 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.2 ClC\C=C\CCl 29077 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.2 ICCCCI 3842 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.2 N#CCCCBr 28726 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.2 N#CCCCCl 26537 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.2 NCCCCN 25424 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.2 NC\C=C\CCl 25442 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.2 OCCCCCl 17292 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.2 OCCCCCl 23235 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.2 OC\C=C\CCl 29079 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.2 OC\C=C\CO 13982 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.2 O\C=C\CCO 35113 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.2 C#CCCO 13071 [1,0,0,0,0,0|0,0,2]=3 37 B4R0.2 C#CCOC 35042 [1,0,0,0,0,0|1,1,1]=4 38 B4R0.2 C#COCC 12592 [1,0,0,0,0,0|0,1,2]=4 39 B4R0.2 C=CCCN 10268 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.2 C=CCCN 36002 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.2 C=CCCO 18909 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.2 C=COCC 18645 [1,0,0,0,0,0|0,1,2]=4 43 B4R0.2 CC#CCO 13061 [1,0,0,0,0,0|0,0,2]=3 44 B4R0.2 CCCCBr 3752 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 CCCCI 3939 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.2 CCN=C=O 18636 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.2 CCNCC 14036 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.2 CCNCC 17237 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.2 CCOCCl 18683 [1,0,0,0,0,0|1,1,0]=3 50 B4R0.2 CC[B+]CC 26091 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.2 CNCC#N 35842 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 CNCCCl 35179 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 CNCCN 4020 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.2 COCC#N 28756 [1,0,0,0,0,0|1,1,1]=4 55 B4R0.2 COCCBr 2138 [1,0,0,0,0,0|1,1,0]=3 56 B4R0.2 COCCCl 1911 [1,0,0,0,0,0|1,1,0]=3 57 B4R0.2 COCCO 35138 [1,0,0,0,0,0|0,1,0]=2 58 B4R0.2 CSCCCl 35891 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.2 CSCCN 19131 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.2 CSCCO 10846 [1,0,0,0,0,0|0,0,0]=1 61 B4R0.2 C\C=C\CC 19602 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.2 C\C=C\CO 21075 [1,0,0,0,0,0|0,0,2]=3 63 B4R0.2 ICCCI 3858 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 N#CCCBr 25994 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 N#CCCN 19134 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.2 N#CCCO 22156 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.2 NCCCBr 18801 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.2 NCCCN 10839 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 NNCCO 45109 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.1 CCC(C)CCO 35939 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.1 CCOC(=N)CCl 44863 [0,1,0,0,0,0|1,1,1]=4 72 B6R0.1 CCOC(=O)CF 23757 [0,1,0,0,0,0|1,1,1]=4 73 B6R0.1 CCOC(=O)CN 10926 [0,1,0,0,0,0|1,1,1]=4 74 B6R0.1 CCOC(=O)NO 12451 [0,1,0,0,0,0|1,1,1]=4 75 B6R0.1 COC(=O)CCBr 19970 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.1 COC(=O)CCN 10900 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.1 COC(C)CCO 35942 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.1 C[C@H](CO)CCO 30370 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.1 O=C(CBr)CCBr 35308 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.1 OCC[C@@H](O)CO 29018 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.4 C=C(C)CNCC 10272 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.4 CC(=O)CCCCl 17207 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.4 CC(=O)NCCN 19141 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 CC(=O)OCCBr 19081 [0,1,0,0,0,0|1,1,1]=4 85 B6R0.4 CC(Br)CCCBr 12546 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.4 CC(C)NCCN 8612 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.4 CCCCB(O)O 1765 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.4 CCCCC(=O)Cl 21358 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.4 CCCCC(=O)[O-] 27064 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.4 CCCC[C@@H](C)N 6753 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.4 CCCC[C@@H](C)O 6730 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.4 CCCC[C@H](C)N 6750 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.4 CCCC[C@H](C)O 6732 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.4 CCNCC(=O)O 23122 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.4 CN(C)CCCCl 20698 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.4 CNCCC(C)C 16229 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.4 COCCC(O)Br 10478 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.4 O=C(O)CCCBr 3754 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.4 O=C(O)CCCS 36247 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.6 BrCCCCCBr 3909 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.6 C#CCCCCC 13058 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.6 C#CCCCCO 13078 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.6 C=COCCON 44715 [0,1,0,0,0,0|0,1,2]=4 104 B6R0.6 CC#CCCCO 13089 [0,1,0,0,0,0|1,0,1]=3 105 B6R0.6 CCCC#CCO 13064 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.6 CCCCCC=O 3077 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.6 CCCCCCBr 3776 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.6 CCCCCCI 3945 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.6 CCCCNCC 10254 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.6 CCCCOCC 12525 [0,1,0,0,0,0|1,1,0]=3 111 B6R0.6 CCCOCCCl 14348 [0,1,0,0,0,0|1,1,0]=3 112 B6R0.6 CCC\C=C\CO 18917 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.6 CCOCCC#N 24829 [0,1,0,0,0,0|1,1,0]=3 114 B6R0.6 CCOCCCO 1937 [0,1,0,0,0,0|0,1,0]=2 115 B6R0.6 COCCCCCl 1935 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.6 COCCCCO 1938 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.6 COCCOCCl 10093 [0,1,0,0,0,0|1,1,0]=3 118 B6R0.6 C\C=C\C=C\CO 13747 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.6 ClCCCCCBr 15271 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.6 ClCCNCCCl 14168 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.6 ClCCOCCCl 18689 [0,1,0,0,0,0|1,1,0]=3 122 B6R0.6 ICCCCCI 3853 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.6 N#CCCCCBr 26949 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.6 N#CCCCCCl 25473 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.6 NCCOCCN 31824 [0,1,0,0,0,0|1,1,0]=3 126 B6R0.6 NCCOCCN 31825 [0,1,0,0,0,0|1,1,0]=3 127 B6R0.6 O=CCCCCCl 27418 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.6 OCCCCCBr 22989 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.6 OCCSCCO 35355 [0,1,0,0,0,0|0,0,0]=1 130 B6R1.1 C1=COCCC1 9508 [0,0,0,1,0,0|1,0,2]=4 131 B6R1.1 C1CCNCC1 21964 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.1 C1CCNCC1 7701 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.1 C1CCOCC1 9509 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.1 C1CCSCC1 10562 [0,0,0,1,0,0|1,0,0]=2 135 B6R1.1 C1CNCCN1 19047 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.1 C1CNCCN1 24459 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.1 C1COCCN1 15002 [0,0,0,1,0,0|1,0,0]=2 138 B6R1.1 C1COCCN1 18231 [0,0,0,1,0,0|1,0,0]=2 139 B6R1.1 C1CSCCN1 15746 [0,0,0,1,0,0|1,0,0]=2 140 B6R1.1 C1SCSCS1 36144 [0,0,0,1,0,0|3,0,0]=4 141 B6R1.2 BrC1CCOC1 26260 [0,0,0,1,0,0|1,1,0]=3 142 B6R1.2 CB1NCCO1 9360 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.2 CC1=NCCC1 9412 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 CC1=NCCN1 10179 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 CC1CCCN1 11112 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.2 CC1CCCN1 9410 [0,0,0,1,0,0|2,0,0]=3 147 B6R1.2 CC1CCCO1 10841 [0,0,0,1,0,0|1,0,0]=2 148 B6R1.2 CC1CCCS1 12832 [0,0,0,1,0,0|1,0,0]=2 149 B6R1.2 CC1CCNC1 19859 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.2 CN1CCCC1 11143 [0,0,0,1,0,0|3,0,0]=4 151 B6R1.2 C[C@@H]1CCCN1 11117 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.2 C[C@@H]1CCCN1 15593 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.2 C[C@H]1CCCN1 11115 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.2 C[C@H]1CCCN1 15594 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.2 F[C@H]1CCNC1 35776 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.2 NC1=NCCS1 17230 [0,0,0,1,0,0|2,0,1]=4 157 B6R1.2 NC1CCNC1 20096 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 NC1CCNC1 30371 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.2 NC1CCNC1 9196 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.2 NC1CCOC1 20203 [0,0,0,1,0,0|1,1,0]=3 161 B6R1.2 NC1CCOC1 24733 [0,0,0,1,0,0|1,1,0]=3 162 B6R1.2 NN1CCCC1 4032 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.2 NN1CCCC1 9801 [0,0,0,1,0,0|3,0,0]=4 164 B6R1.2 N[C@@H]1CCNC1 5728 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.2 N[C@@H]1CCNC1 5730 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.2 N[C@@H]1CCOC1 12612 [0,0,0,1,0,0|1,1,0]=3 167 B6R1.2 N[C@@H]1CCOC1 15496 [0,0,0,1,0,0|1,1,0]=3 168 B6R1.2 N[C@H]1CCNC1 11156 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.2 N[C@H]1CCNC1 5729 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.2 N[C@H]1CCOC1 15126 [0,0,0,1,0,0|1,1,0]=3 171 B6R1.2 O=C1CCCC1 30304 [0,0,0,1,0,0|1,0,2]=4 172 B6R1.2 O=C1CCNC1 21931 [0,0,0,1,0,0|1,0,2]=4 173 B6R1.2 O=C1CCOC1 15127 [0,0,0,1,0,0|0,1,2]=4 174 B6R1.2 O=C1CCSC1 5575 [0,0,0,1,0,0|0,0,2]=3 175 B6R1.2 O=C1NCCO1 8624 [0,0,0,1,0,0|2,0,1]=4 176 B6R1.2 O=C1NCCS1 14582 [0,0,0,1,0,0|2,0,1]=4 177 B6R1.2 O=S1CCCC1 12544 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.2 O=S1OCCO1 1901 [0,0,0,1,0,0|2,1,0]=4 179 B6R1.2 OC1=NNCC1 44776 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.2 OC1CC=CC1 29044 [0,0,0,1,0,0|1,0,1]=3 181 B6R1.2 OC1CCCC1 20387 [0,0,0,1,0,0|1,0,0]=2 182 B6R1.2 OC1CCNC1 11118 [0,0,0,1,0,0|1,0,0]=2 183 B6R1.2 OC1CCNC1 17435 [0,0,0,1,0,0|1,0,0]=2 184 B6R1.2 O[C@@H]1CCNC1 7469 [0,0,0,1,0,0|1,0,0]=2 185 B6R1.2 O[C@@H]1CCOC1 11341 [0,0,0,1,0,0|0,1,0]=2 186 B6R1.2 O[C@@H]1CCOC1 7071 [0,0,0,1,0,0|0,1,0]=2 187 B6R1.2 O[C@H]1CCNC1 14064 [0,0,0,1,0,0|1,0,0]=2 188 B6R1.2 O[C@H]1CCNC1 15695 [0,0,0,1,0,0|1,0,0]=2 189 B6R1.2 O[C@H]1CCNC1 8981 [0,0,0,1,0,0|1,0,0]=2 190 B6R1.2 O[C@H]1CCOC1 16209 [0,0,0,1,0,0|0,1,0]=2 191 B6R1.2 S=C1NCCS1 14579 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.3 COC[C@@H]1CO1 5856 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.3 COC[C@H]1CO1 5851 [0,0,0,1,0,0|2,0,0]=3 194 B6R1.3 CONC1CC1 25856 [0,0,0,1,0,0|3,0,0]=4 195 B6R1.3 N#CCC1CC1 28859 [0,0,0,1,0,0|2,0,1]=4 196 B6R1.3 NCCN1CC1 14229 [0,0,0,1,0,0|2,0,0]=3 197 B6R1.3 OCCC1CC1 28819 [0,0,0,1,0,0|1,0,0]=2 198 B6R1.6 BrCC1CCC1 23272 [0,0,0,1,0,0|2,0,0]=3 199 B6R1.6 N#CC1CCC1 25445 [0,0,0,1,0,0|2,0,1]=4 200 B6R1.6 NCC1CCC1 21304 [0,0,0,1,0,0|2,0,0]=3 201 B6R1.6 NCC1COC1 23208 [0,0,0,1,0,0|3,0,0]=4 202 B6R1.6 O=CC1CCC1 23840 [0,0,0,1,0,0|1,0,2]=4 203 B6R1.6 OCC1CCC1 23465 [0,0,0,1,0,0|1,0,0]=2 204 B6R1.6 OCC1CNC1 19094 [0,0,0,1,0,0|2,0,0]=3 205 B6R1.6 OCC1COC1 29376 [0,0,0,1,0,0|2,0,0]=3 206 B3R0.1 CCCI 3977 [2,0,0,0,0,0|1,0,0]=3 207 B3R0.1 CCC[S-] 35319 [2,0,0,0,0,0|0,1,0]=3 208 B3R0.1 CCNC 10275 [2,0,0,0,0,0|1,0,0]=3 209 B3R0.1 CCNN 16833 [2,0,0,0,0,0|2,0,0]=4 210 B3R0.1 CCON 35706 [2,0,0,0,0,0|1,1,0]=4 211 B3R0.1 CC[Mg]Br 23799 [2,0,0,0,0,0|2,0,0]=4 212 B3R0.1 CNOC 25934 [2,0,0,0,0,0|1,1,0]=4 213 B3R0.1 COCBr 23167 [2,0,0,0,0,0|1,1,0]=4 214 B3R0.1 CSSC 9665 [2,0,0,0,0,0|1,0,0]=3 215 B3R0.1 NCCBr 32344 [2,0,0,0,0,0|2,0,0]=4 216 B3R0.1 NCCF 19132 [2,0,0,0,0,0|2,0,0]=4 217 B3R0.1 NCCO 24767 [2,0,0,0,0,0|1,0,0]=3 218 B3R0.1 SCCS 12844 [2,0,0,0,0,0|0,1,0]=3 219 B5R0.1 C#CCC(C)O 26123 [1,1,0,0,0,0|0,0,2]=4 220 B5R0.1 CC(=O)NCO 11062 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.1 CC(Br)CCBr 3866 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.1 CC(C)CCI 3950 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.1 CC(C)CNN 18739 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.1 CC(N)CCO 29198 [1,1,0,0,0,0|0,0,0]=2 225 B5R0.1 CCCB(O)O 6019 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.1 CCCC(=N)N 16315 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.1 CCCC(=O)Cl 13241 [1,1,0,0,0,0|0,0,2]=4 228 B5R0.1 CCCC(C)N 26317 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.1 CCC[C@@H](C)O 6721 [1,1,0,0,0,0|0,0,0]=2 230 B5R0.1 CCC[C@H](C)O 6719 [1,1,0,0,0,0|0,0,0]=2 231 B5R0.1 CCNC(C)C 10283 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.1 CCOC(C)=N 2020 [1,1,0,0,0,0|0,1,1]=4 233 B5R0.1 CCSC(C)=S 12459 [1,1,0,0,0,0|0,0,1]=3 234 B5R0.1 CN(C)CCS 35662 [1,1,0,0,0,0|1,1,0]=4 235 B5R0.1 CNCC(=O)O 10995 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.1 COCC(C)O 1904 [1,1,0,0,0,0|0,1,0]=3 237 B5R0.1 COC[C@@H](C)O 6714 [1,1,0,0,0,0|0,1,0]=3 238 B5R0.1 COC[C@H](C)O 6715 [1,1,0,0,0,0|0,1,0]=3 239 B5R0.1 C[C@@H](O)CCO 6724 [1,1,0,0,0,0|0,0,0]=2 240 B5R0.1 C[C@H](O)CCO 6722 [1,1,0,0,0,0|0,0,0]=2 241 B5R0.1 NCCC(=O)O 10996 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.1 O=C(O)CCCl 13689 [1,1,0,0,0,0|1,0,1]=4 243 B5R0.1 O=C(O)CCO 12598 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.1 O=C(O)CCS 36422 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.1 O=[N+]([O-])CCO 14208 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.3 C#CC(O)CC 26391 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.3 C=C[C@H](O)CO 19971 [1,1,0,0,0,0|0,0,2]=4 248 B5R0.3 CCC(N)CO 14779 [1,1,0,0,0,0|0,0,0]=2 249 B5R0.3 CCP(Cl)CC 6480 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.3 CC[C@@H](O)CO 14093 [1,1,0,0,0,0|0,0,0]=2 251 B5R0.3 CC[C@H](C)C#N 32183 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.3 CC[C@H](C)CN 16256 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.3 CC[C@H](O)CO 14096 [1,1,0,0,0,0|0,0,0]=2 254 B5R0.3 CO[C@@H](C)CN 17733 [1,1,0,0,0,0|1,1,0]=4 255 B5R0.3 CO[C@@H](C)CN 17747 [1,1,0,0,0,0|1,1,0]=4 256 B5R0.3 CO[C@@H](C)CO 26646 [1,1,0,0,0,0|0,1,0]=3 257 B5R0.3 CO[C@H](C)CN 17734 [1,1,0,0,0,0|1,1,0]=4 258 B5R0.3 CO[C@H](C)CN 17748 [1,1,0,0,0,0|1,1,0]=4 259 B5R0.3 NC(CO)CO 11931 [1,1,0,0,0,0|1,0,0]=3 260 B5R0.3 NC[C@@H](O)CO 5711 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.3 NC[C@H](O)CCl 34211 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.3 NC[C@H](O)CO 5712 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.3 O=C(CO)CO 4053 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.3 O=CC(O)CO 13962 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.3 O=C[C@@H](O)CO 6339 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.3 O=C[C@@H](O)CO 6340 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.3 O=C[C@H](O)CO 6338 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.3 OC(CCl)CCl 5871 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.3 OCC(O)CCl 21311 [1,1,0,0,0,0|1,0,0]=3 270 B5R0.3 OCC(O)CO 16092 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.3 OC[C@@H](O)CCl 5741 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.3 OC[C@H](O)CCl 5740 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.2 CC(C)C[C@@H](N)CO 12435 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.2 CC(C)C[C@H](N)CO 25957 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.2 CCC(C)CC(=O)O 11272 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.2 CCC(N)CC(=O)O 13448 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.2 CC[C@@H](C)CC(=O)O 11275 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.2 CC[C@H](C)CC(=O)O 11273 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.2 CN(C)CC(O)CO 32210 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.2 CN(C)C[C@@H](O)CO 25206 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.2 CN(C)C[C@H](O)CO 25208 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.2 COC(=O)C[C@@H](C)O 13967 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.2 COC(=O)C[C@H](C)O 13965 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.3 CC(CO)CCCO 25460 [0,2,0,0,0,0|1,0,0]=3 285 B7R0.3 CCCCC(Br)CBr 3891 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.3 CSCC[C@@H](N)CO 12299 [0,2,0,0,0,0|1,0,0]=3 287 B7R0.3 CSCC[C@H](N)CO 25150 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.5 CCCC(C)C(=O)O 2465 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.5 CCC[C@H](C)C(=O)O 5642 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.5 CCC[C@H](N)C(=O)O 5727 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [0,2,0,0,0,0|0,1,1]=4 292 B7R0.5 CCOC(=O)[C@H](C)O 26157 [0,2,0,0,0,0|0,1,1]=4 293 B7R0.7 CCCC(N)CCC 12594 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.7 CCOC(=O)CCBr 25427 [0,2,0,0,0,0|1,1,0]=4 295 B7R0.7 CCOC(=O)CCN 10927 [0,2,0,0,0,0|1,1,0]=4 296 B7R0.7 COCC(N)COC 23938 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.7 O=C(CCCl)CCCl 2482 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.10 COC(=O)C(N)CO 10908 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.10 COC(=O)[C@@H](N)CO 10895 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.10 COC(=O)[C@H](N)CO 10896 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.10 OC[C@@H](O)[C@H](O)CO 6771 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.11 CCO[C@@](C)(O)CO 25593 [0,2,0,0,0,0|0,1,0]=3 303 B7R0.11 CCO[C@](C)(O)CO 25595 [0,2,0,0,0,0|0,1,0]=3 304 B7R0.12 CCN(CC)CCCl 23589 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.12 CCN(CC)CCN 27422 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.4 CC(=O)CCCCCl 29051 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.4 CC(C)CCCCBr 35107 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.4 CCCCCB(O)O 27260 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.4 CCCCCC(=O)Cl 21359 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.4 CCCCCC(C)O 3094 [0,2,0,0,0,0|1,0,0]=3 311 B7R0.4 CCCCC[C@@H](C)O 6739 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.4 CCCCC[C@H](C)O 6736 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.4 NCCCCC(=O)O 18964 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.4 NCCCCC(=O)O 31880 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.4 O=C(O)CCCCBr 3843 [0,2,0,0,0,0|1,0,1]=4 316 B7R0.6 CC(C)CCB(O)O 29488 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.6 C[C@H](O)CC[C@H](C)O 6345 [0,2,0,0,0,0|1,0,0]=3 318 B7R0.8 OCCCC(F)(F)F 15240 [0,2,0,0,0,0|2,0,0]=4 319 B7R0.1 BrCCCCCCBr 3894 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.1 C#CCCCCCC 13059 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.1 C#CCCCCCO 13080 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.1 C=CCCCCCBr 26398 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.1 C=CCCCCCCl 25249 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.1 CCCCC#CCO 13065 [0,2,0,0,0,0|1,0,0]=3 325 B7R0.1 CCCCCCCBr 3775 [0,2,0,0,0,0|2,0,0]=4 326 B7R0.1 CCCCCCCI 3944 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.1 CCCC\C=C\CO 18918 [0,2,0,0,0,0|1,0,0]=3 328 B7R0.1 CCOCCCCCl 1933 [0,2,0,0,0,0|1,1,0]=4 329 B7R0.1 ICCCCCCI 3846 [0,2,0,0,0,0|2,0,0]=4 330 B7R0.1 N#CCCCCCBr 12505 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.1 NCCCCCCO 13750 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.1 NCC[Se][Se]CCN 30278 [0,2,0,0,0,0|1,1,0]=4 333 B7R0.1 OCCCCCCCl 16921 [0,2,0,0,0,0|1,0,0]=3 334 B5R1.1 C1=CCOC1 3987 [1,0,0,1,0,0|0,0,2]=4 335 B5R1.1 C1=COCC1 12854 [1,0,0,1,0,0|0,0,2]=4 336 B5R1.1 C1=NCCO1 24989 [1,0,0,1,0,0|1,0,1]=4 337 B5R1.1 C1=NCCO1 8622 [1,0,0,1,0,0|1,0,1]=4 338 B5R1.1 C1CCNC1 19143 [1,0,0,1,0,0|1,0,0]=3 339 B5R1.1 C1CCOC1 12766 [1,0,0,1,0,0|0,0,0]=2 340 B5R1.1 C1CSCN1 35964 [1,0,0,1,0,0|1,0,0]=3 341 B5R1.1 C1CSCN1 36265 [1,0,0,1,0,0|1,0,0]=3 342 B5R1.2 BrC1COC1 35713 [1,0,0,1,0,0|1,1,0]=4 343 B5R1.2 FC1CNC1 10162 [1,0,0,1,0,0|2,0,0]=4 344 B5R1.2 FC1CNC1 24864 [1,0,0,1,0,0|2,0,0]=4 345 B5R1.2 IC1COC1 29373 [1,0,0,1,0,0|1,1,0]=4 346 B5R1.2 NC1CCC1 11047 [1,0,0,1,0,0|1,0,0]=3 347 B5R1.2 NC1CCC1 35736 [1,0,0,1,0,0|1,0,0]=3 348 B5R1.2 NC1COC1 20414 [1,0,0,1,0,0|1,1,0]=4 349 B5R1.2 O=C1CCC1 9021 [1,0,0,1,0,0|0,0,2]=4 350 B5R1.2 O=C1CCO1 2546 [1,0,0,1,0,0|1,0,1]=4 351 B5R1.2 O=C1CSC1 25389 [1,0,0,1,0,0|0,0,2]=4 352 B5R1.2 OC1CCC1 27295 [1,0,0,1,0,0|0,0,0]=2 353 B5R1.2 OC1CNC1 10157 [1,0,0,1,0,0|1,0,0]=3 354 B5R1.2 OC1CNC1 12930 [1,0,0,1,0,0|1,0,0]=3 355 B5R1.2 OC1COC1 17367 [1,0,0,1,0,0|0,1,0]=3 356 B5R1.3 BrCC1CC1 13771 [1,0,0,1,0,0|1,0,0]=3 357 B5R1.3 BrCC1CO1 21362 [1,0,0,1,0,0|1,0,0]=3 358 B5R1.3 C=CC1CO1 23575 [1,0,0,1,0,0|0,0,2]=4 359 B5R1.3 CC[C@@H]1CO1 14098 [1,0,0,1,0,0|0,0,0]=2 360 B5R1.3 CC[C@H]1CO1 14100 [1,0,0,1,0,0|0,0,0]=2 361 B5R1.3 ClCC1CC1 10983 [1,0,0,1,0,0|1,0,0]=3 362 B5R1.3 ClCC1CO1 5779 [1,0,0,1,0,0|1,0,0]=3 363 B5R1.3 ClCC1CO1 5780 [1,0,0,1,0,0|1,0,0]=3 364 B5R1.3 NNC1CC1 45053 [1,0,0,1,0,0|2,0,0]=4 365 B5R1.3 O=CC1CC1 12460 [1,0,0,1,0,0|0,0,2]=4 366 B5R1.3 OCC1CC1 9773 [1,0,0,1,0,0|0,0,0]=2 367 B5R1.3 OCC1CO1 21960 [1,0,0,1,0,0|0,1,0]=3 368 B5R1.3 OC[C@@H]1CO1 5832 [1,0,0,1,0,0|0,1,0]=3 369 B5R1.3 OC[C@H]1CO1 5836 [1,0,0,1,0,0|0,1,0]=3 370 B5R1.4 CC1OC1C 35217 [1,0,0,1,0,0|0,1,0]=3 371 B7R1.1 BrCC1CCCC1 3104 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.1 BrCC1CCCO1 6941 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.1 BrCC1CCOC1 24395 [0,1,0,1,0,0|1,1,0]=4 374 B7R1.1 BrCC1OCCO1 31979 [0,1,0,1,0,0|0,1,0]=3 375 B7R1.1 CCC1=NCCO1 12821 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.1 CCN1CCCC1 36488 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.1 CNC1CCNC1 11207 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.1 CNC1CCOC1 15123 [0,1,0,1,0,0|1,1,0]=4 379 B7R1.1 CNC1CCOC1 24384 [0,1,0,1,0,0|1,1,0]=4 380 B7R1.1 CN[C@@H]1CCNC1 11209 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.1 CN[C@@H]1CCOC1 24382 [0,1,0,1,0,0|1,1,0]=4 382 B7R1.1 CN[C@@H]1CCOC1 24386 [0,1,0,1,0,0|1,1,0]=4 383 B7R1.1 CN[C@H]1CCNC1 11208 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.1 CN[C@H]1CCOC1 24380 [0,1,0,1,0,0|1,1,0]=4 385 B7R1.1 CN[C@H]1CCOC1 24385 [0,1,0,1,0,0|1,1,0]=4 386 B7R1.1 COC1CCNC1 19858 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.1 CO[C@@H]1CCNC1 14802 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.1 CO[C@H]1CCNC1 14801 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.1 ClCC1CCCO1 7061 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.1 ClCC1OCCO1 31981 [0,1,0,1,0,0|0,1,0]=3 391 B7R1.1 N#CC1CCCC1 28731 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.1 N#CC1CCNC1 23030 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.1 N#CC1CCOC1 35991 [0,1,0,1,0,0|1,1,0]=4 394 B7R1.1 NCC1CCCO1 6998 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.1 NCC1CCNC1 11185 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.1 NC[C@@H]1CCCO1 14101 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.1 NC[C@@H]1CCCO1 17261 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.1 NC[C@@H]1CCNC1 11186 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.1 NC[C@@H]1CCOC1 20493 [0,1,0,1,0,0|1,1,0]=4 400 B7R1.1 NC[C@H]1CCCN1 16320 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.1 NC[C@H]1CCCO1 7001 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.1 NC[C@H]1CCNC1 11187 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.1 NC[C@H]1CCOC1 20502 [0,1,0,1,0,0|1,1,0]=4 404 B7R1.1 NNC1CCCC1 16307 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.1 O=CC1CCCC1 27475 [0,1,0,1,0,0|1,0,1]=4 406 B7R1.1 O=CC1CCCO1 27177 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.1 OCC1CCCC1 3097 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.1 OCC1CCCO1 7086 [0,1,0,1,0,0|0,1,0]=3 409 B7R1.1 OCC1CCNC1 15733 [0,1,0,1,0,0|1,0,0]=3 410 B7R1.1 OCC1CCNC1 15883 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.1 OCC1CCOC1 20510 [0,1,0,1,0,0|0,1,0]=3 412 B7R1.1 OC[C@@H]1CCCN1 6910 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.1 OC[C@@H]1CCCO1 26288 [0,1,0,1,0,0|0,1,0]=3 414 B7R1.1 OC[C@@H]1CCNC1 18724 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.1 OC[C@H]1CCCN1 6912 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.1 OC[C@H]1CCCO1 26287 [0,1,0,1,0,0|0,1,0]=3 417 B7R1.1 OC[C@H]1CCNC1 18723 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.2 CN1CCC(N)C1 15706 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.2 CN1CCC(O)C1 14117 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.2 CN1CC[C@@H](O)C1 13969 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [0,1,0,1,0,0|1,0,1]=4 422 B7R1.2 N[C@@H]1CC[C@@H](O)C1 20430 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.2 N[C@@H]1CC[C@@H](O)C1 23914 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.2 N[C@H]1CC[C@@H](O)C1 32220 [0,1,0,1,0,0|1,0,0]=3 425 B7R1.2 O=C1CC(O)CO1 35886 [0,1,0,1,0,0|0,1,1]=4 426 B7R1.2 O=C1C[C@@H](O)CN1 6351 [0,1,0,1,0,0|1,0,1]=4 427 B7R1.2 O=C1C[C@@H](O)CO1 6051 [0,1,0,1,0,0|0,1,1]=4 428 B7R1.2 O=C1C[C@H](O)CN1 19064 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.2 O=C1C[C@H](O)CO1 6050 [0,1,0,1,0,0|0,1,1]=4 430 B7R1.3 BrC1CCCCN1 6734 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.3 BrC1CCCNC1 6733 [0,1,0,1,0,0|2,0,0]=4 432 B7R1.3 BrC1CCNCC1 9060 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.3 BrC1CCOCC1 13108 [0,1,0,1,0,0|1,0,0]=3 434 B7R1.3 CC1CCCCN1 7704 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.3 CC1CCCNC1 7705 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.3 CC1CCNCC1 7707 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.3 CC1CNCCN1 8560 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.3 CC1CNCCO1 14222 [0,1,0,1,0,0|1,0,0]=3 439 B7R1.3 CC1COCCN1 14221 [0,1,0,1,0,0|1,0,0]=3 440 B7R1.3 CC1COCCN1 17245 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.3 CN1CCCCC1 7703 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.3 CN1CCNCC1 15033 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.3 CN1CCNCC1 8561 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.3 CN1CCOCC1 17627 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.3 CN1CCOCC1 18300 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.3 C[C@@H]1CCCCN1 14248 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.3 C[C@@H]1CNCCN1 13111 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.3 C[C@@H]1CNCCN1 15034 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.3 C[C@@H]1CNCCO1 15013 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.3 C[C@@H]1CNCCO1 17029 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.3 C[C@@H]1COCCN1 11363 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.3 C[C@@H]1COCCN1 17244 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.3 C[C@H]1CCCCN1 15597 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.3 C[C@H]1CNCCN1 15035 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.3 C[C@H]1CNCCO1 11359 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.3 C[C@H]1CNCCO1 17028 [0,1,0,1,0,0|1,0,0]=3 457 B7R1.3 C[C@H]1COCCN1 11364 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.3 C[C@H]1COCCN1 17226 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.3 ClC1CCCCN1 6738 [0,1,0,1,0,0|2,0,0]=4 460 B7R1.3 ClC1CCNCC1 30446 [0,1,0,1,0,0|2,0,0]=4 461 B7R1.3 ClC1CCNCC1 6744 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.3 ClC1CCOCC1 36112 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.3 FC1CCCNC1 24370 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.3 FC1CCNCC1 44985 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.3 F[C@@H]1CCCNC1 24371 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.3 F[C@H]1CCCNC1 24372 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.3 IC1CCOCC1 44921 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.3 NC1CCCCN1 6729 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.3 NC1CCCNC1 6731 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.3 NC1CCCNC1 6755 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.3 NC1CCCOC1 20424 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.3 NC1CCNCC1 6727 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.3 NC1CCNCC1 7722 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.3 NC1CCOCC1 22240 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.3 NC1CCOCC1 26069 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.3 NC1CCOCC1 9558 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.3 NC1CCOCC1 9675 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.3 NC1CCSCC1 18748 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.3 NN1CCCCC1 23024 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.3 NN1CCCCC1 23261 [0,1,0,1,0,0|2,0,0]=4 481 B7R1.3 NN1CCOCC1 14486 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.3 N[C@@H]1CCCNC1 3013 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.3 N[C@@H]1CCCOC1 19625 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.3 N[C@@H]1CCCOC1 22289 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.3 N[C@H]1CCCNC1 11476 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.3 N[C@H]1CCCOC1 19623 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.3 N[C@H]1CCCOC1 22290 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.3 O=C1CCCCO1 20208 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.3 O=C1CCCOC1 15125 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.3 O=C1CCCOC1 19912 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.3 O=C1CCNCC1 6789 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.3 O=C1CCNCC1 7756 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.3 O=C1CCOCC1 9557 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.3 O=C1CCSCC1 18603 [0,1,0,1,0,0|0,0,1]=3 495 B7R1.3 O=C1CNCCO1 27815 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.3 O=C1COCCN1 25157 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.3 O=C1COCCO1 14989 [0,1,0,1,0,0|0,1,1]=4 498 B7R1.3 OC1CCCCN1 6787 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.3 OC1CCCNC1 6782 [0,1,0,1,0,0|1,0,0]=3 500 B7R1.3 OC1CCCNC1 6818 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.3 OC1CCCOC1 20064 [0,1,0,1,0,0|0,1,0]=3 502 B7R1.3 OC1CCNCC1 6780 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.3 OC1CCNCC1 7714 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.3 OC1CCOCC1 10170 [0,1,0,1,0,0|0,1,0]=3 505 B7R1.3 O[C@@H]1CCCNC1 11310 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.3 O[C@@H]1CCCNC1 24363 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.3 O[C@@H]1CCCOC1 24398 [0,1,0,1,0,0|0,1,0]=3 508 B7R1.3 O[C@H]1CCCNC1 11309 [0,1,0,1,0,0|1,0,0]=3 509 B7R1.3 O[C@H]1CCCNC1 24364 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.3 O[C@H]1CCCOC1 24399 [0,1,0,1,0,0|0,1,0]=3 511 B7R1.4 CC1OCCC1=O 7120 [0,1,0,1,0,0|1,0,0]=3 512 B7R1.4 CC1OCCC1S 9972 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.4 F[C@@H]1CNC[C@H]1F 23640 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.4 NC1CCSC1=O 26584 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.4 N[C@@H]1CCC[C@H]1O 11874 [0,1,0,1,0,0|1,0,0]=3 516 B7R1.4 N[C@H]1CCC[C@@H]1O 27232 [0,1,0,1,0,0|1,0,0]=3 517 B7R1.4 O=C1NCC[C@@H]1O 26213 [0,1,0,1,0,0|1,0,1]=4 518 B7R1.4 O[C@H]1COC[C@H]1O 14164 [0,1,0,1,0,0|0,1,0]=3 519 B7R1.6 COCC1CNC1 26682 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.6 OCCN1CCC1 34771 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.10 N[C@H]1C[C@@H](CO)C1 26630 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.15 C[C@@H]1NC(=O)[C@@H]1O 24549 [0,1,0,1,0,0|1,0,1]=4 523 B7R1.22 COC(=O)C1CO1 35239 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.22 COC(=O)[C@H]1CO1 36331 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.25 CC1(CO)COC1 14170 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.7 C=CCCC1CO1 32053 [0,1,0,1,0,0|1,0,1]=4 527 B7R1.7 N#CCCN1CC1 20917 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.14 CC1(C)CCCN1 22249 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.14 CC1(O)CCCC1 29357 [0,1,0,1,0,0|1,0,0]=3 530 B7R1.14 FC1(F)CCNC1 9358 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.18 CC(O)C1CCC1 16458 [0,1,0,1,0,0|1,0,0]=3 532 B7R1.18 O=C(O)C1CCC1 14139 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.18 O=C(O)C1CCN1 19101 [0,1,0,1,0,0|1,0,1]=4 534 B7R1.18 O=C(O)C1CCN1 24713 [0,1,0,1,0,0|1,0,1]=4 535 B7R1.18 O=C(O)C1CCO1 18479 [0,1,0,1,0,0|0,1,1]=4 536 B7R1.18 O=C(O)[C@@H]1CCN1 5731 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.18 OB(O)C1CCC1 30320 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.20 O=C(O)CC1CC1 19703 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.24 C1CNCCNC1 8556 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.24 C1CNCCOC1 25220 [0,1,0,1,0,0|1,0,0]=3 541 B7R2.13 C1NCC2CC12 18421 [0,0,0,2,0,0|2,0,0]=4 542 B7R2.13 C1OCC2OC12 26470 [0,0,0,2,0,0|0,1,0]=3