0 B7R0.1 BrCCCCCCBr 3894 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 C#CCCCCCC 13059 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 CCCCC#CCO 13065 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 CCCCCCCBr 3775 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 CCCCCCCI 3944 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 CCCC\C=C\CO 18918 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 CCOCCCCCl 1933 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.1 ICCCCCCI 3846 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.1 NCCCCCCO 13750 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.1 NCC[Se][Se]CCN 30278 [0,0,0,0,0,0|2,2,0]=4 10 B7R0.1 OCCCCCCCl 16921 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 BrCCCCCBr 3909 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 C#CCCCCC 13058 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 CCCC#CCO 13064 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 CCCCCC=O 3077 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 CCCCCCBr 3776 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.6 CCCCCCI 3945 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 CCCCNCC 10254 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 CCCCOCC 12525 [1,0,0,0,0,0|1,1,0]=3 19 B6R0.6 CCCOCCCl 14348 [1,0,0,0,0,0|1,1,0]=3 20 B6R0.6 CCC\C=C\CO 18917 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 CCOCCCO 1937 [1,0,0,0,0,0|2,1,0]=4 22 B6R0.6 COCCCCCl 1935 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 COCCCCO 1938 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 ClCCCCCBr 15271 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.6 ClCCNCCCl 14168 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 ClCCOCCCl 18689 [1,0,0,0,0,0|2,1,0]=4 27 B6R0.6 ICCCCCI 3853 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.6 NCCOCCN 31824 [1,0,0,0,0,0|2,1,0]=4 29 B6R0.6 NCCOCCN 31825 [1,0,0,0,0,0|2,1,0]=4 30 B6R0.6 OCCCCCBr 22989 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 OCCSCCO 35355 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.4 BrCCCCCCCBr 3887 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.4 C#CCCCCCCC 13060 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.4 CCCCC#CCCO 13072 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.4 CCCCCCCCI 3959 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.4 CCCOCCCCCl 1931 [0,1,0,0,0,0|1,1,0]=3 37 B8R0.4 OCCCCCCCO 11489 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.6 CCCSCC(=O)OC 28955 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.7 CCCCCCC(C)=O 26418 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.7 CCCCCCC(C)O 21480 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.7 CCCCCC[C@@H](C)N 6754 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.7 CCCCCC[C@@H](C)O 6072 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.7 CCCCCC[C@H](C)N 6748 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.7 CCCCCC[C@H](C)O 17259 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.7 CCCCCC[C@H](C)O 6073 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.2 BrCC1CCCCC1 3103 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.2 CCC1CCCCN1 6758 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.2 CCN1CCCCC1 7713 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.2 CC[C@@H]1CCCCN1 15599 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.2 CC[C@@H]1COCCN1 11361 [0,0,0,1,0,0|2,1,0]=4 51 B8R1.2 CC[C@@H]1COCCN1 17027 [0,0,0,1,0,0|2,1,0]=4 52 B8R1.2 CC[C@H]1CCCCN1 15598 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.2 CC[C@H]1CNCCO1 11357 [0,0,0,1,0,0|2,1,0]=4 54 B8R1.2 CC[C@H]1CNCCO1 17498 [0,0,0,1,0,0|2,1,0]=4 55 B8R1.2 CC[C@H]1COCCN1 11362 [0,0,0,1,0,0|2,1,0]=4 56 B8R1.2 CC[C@H]1COCCN1 17024 [0,0,0,1,0,0|2,1,0]=4 57 B8R1.2 CNC1CCCNC1 6874 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.2 ClCC1CCCCC1 9647 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.2 NCC1CCCCC1 20540 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.2 NCC1CCCCN1 6725 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.2 NCC1CCCNC1 35502 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.2 NCC1CCCNC1 6723 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.2 NCC1CCCOC1 14606 [0,0,0,1,0,0|2,1,0]=4 64 B8R1.2 NCC1CCCOC1 16813 [0,0,0,1,0,0|2,1,0]=4 65 B8R1.2 OCC1CCCCC1 3098 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.2 OCC1CCCCN1 6779 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.2 OCC1CCCCO1 9734 [0,0,0,1,0,0|2,1,0]=4 68 B8R1.2 OCC1CCCNC1 6775 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.2 OCC1CCCOC1 35472 [0,0,0,1,0,0|2,1,0]=4 70 B8R1.2 OCC1CCCOC1 35472 [0,0,0,1,0,0|2,1,0]=4 71 B8R1.2 OC[C@@H]1CCCNC1 16103 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.2 OC[C@H]1CCCNC1 16102 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.5 CC1CCCCC1O 10840 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.5 CC1CCCNC1C 6756 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.5 CC1CNCCN1C 9353 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.5 O[C@@H]1CSSC[C@H]1O 21314 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.8 COCC1CCCN1 23933 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.8 COC[C@@H]1CCCN1 18171 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.8 COC[C@H]1CCCN1 8186 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.8 ClCCN1CCCC1 9357 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.8 NCCN1CCCC1 19139 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.8 NCC[C@H]1CCCN1 20494 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.8 OCCN1CCCC1 16773 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.22 N[C@@H]1CCCCNC1 22272 [0,0,0,1,0,0|3,0,0]=4 85 B5R0.2 BrCCCCBr 3870 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.2 C#CCCCC 13057 [2,0,0,0,0,0|0,0,2]=4 87 B5R0.2 CCCCCI 3960 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.2 CCCNCC 10270 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.2 CCOCCBr 12476 [2,0,0,0,0,0|1,1,0]=4 90 B5R0.2 CCOCCCl 1932 [2,0,0,0,0,0|1,1,0]=4 91 B5R0.2 CNCCCN 26279 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.2 CNCCCO 30456 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.2 CNCCNC 31976 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.2 COCCCBr 11240 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.2 COCCCCl 18632 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.2 COCCCN 16804 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.2 COCCCO 1936 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.2 COCCOC 18652 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.2 ClCCCCBr 36136 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.2 ICCCCI 3842 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.2 NCCCCN 25424 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.2 OCCCCCl 17292 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.2 OCCCCCl 23235 [2,0,0,0,0,0|2,0,0]=4 104 B7R0.3 CCCCC(Br)CBr 3891 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.4 CC(C)CCCCBr 35107 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.4 CCCCCC(C)O 3094 [1,1,0,0,0,0|1,0,0]=3 107 B7R0.4 CCCCC[C@@H](C)O 6739 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.4 CCCCC[C@H](C)O 6736 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.7 CCCC(N)CCC 12594 [1,1,0,0,0,0|1,0,0]=3 110 B9R0.2 CC(C)CCCCCCBr 18956 [0,2,0,0,0,0|2,0,0]=4 111 B9R0.45 BrCCCCCCCCBr 3905 [0,2,0,0,0,0|2,0,0]=4 112 B9R0.45 CCCCC#CCCCO 13076 [0,2,0,0,0,0|2,0,0]=4 113 B9R0.45 CCCCCCCCCBr 3809 [0,2,0,0,0,0|2,0,0]=4 114 B9R0.45 CCCCCCCCCI 3958 [0,2,0,0,0,0|2,0,0]=4 115 B9R0.45 ICCCCCCCCI 3851 [0,2,0,0,0,0|2,0,0]=4 116 B9R0.45 NCCCCNCCCN 36192 [0,2,0,0,0,0|2,0,0]=4 117 B9R0.45 OCCCCCCCCO 36148 [0,2,0,0,0,0|2,0,0]=4 118 B9R0.46 CCC(C)CCCCCBr 18977 [0,2,0,0,0,0|2,0,0]=4 119 B9R0.46 CCCCCCC(C)CBr 18952 [0,2,0,0,0,0|2,0,0]=4 120 B9R0.46 CCCCCCC(O)CO 36051 [0,2,0,0,0,0|2,0,0]=4 121 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 30308 [0,2,0,0,0,0|2,0,0]=4 122 B7R1.1 BrCC1CCCC1 3104 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.1 BrCC1CCCO1 6941 [1,0,0,1,0,0|1,1,0]=4 124 B7R1.1 CCN1CCCC1 36488 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.1 ClCC1CCCO1 7061 [1,0,0,1,0,0|1,1,0]=4 126 B7R1.1 NCC1CCCO1 6998 [1,0,0,1,0,0|1,1,0]=4 127 B7R1.1 NC[C@@H]1CCCO1 14101 [1,0,0,1,0,0|1,1,0]=4 128 B7R1.1 NC[C@@H]1CCCO1 17261 [1,0,0,1,0,0|1,1,0]=4 129 B7R1.1 NC[C@H]1CCCN1 16320 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.1 NC[C@H]1CCCO1 7001 [1,0,0,1,0,0|1,1,0]=4 131 B7R1.1 OCC1CCCC1 3097 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.1 OCC1CCCO1 7086 [1,0,0,1,0,0|1,1,0]=4 133 B7R1.1 OC[C@@H]1CCCN1 6910 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.1 OC[C@@H]1CCCO1 26288 [1,0,0,1,0,0|1,1,0]=4 135 B7R1.1 OC[C@H]1CCCN1 6912 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.1 OC[C@H]1CCCO1 26287 [1,0,0,1,0,0|1,1,0]=4 137 B7R1.3 BrC1CCCNC1 6733 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.3 CC1CCCCN1 7704 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.3 CC1CCCNC1 7705 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.3 CC1CCNCC1 7707 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.3 CC1CNCCN1 8560 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.3 CC1CNCCO1 14222 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.3 CC1COCCN1 14221 [1,0,0,1,0,0|1,1,0]=4 144 B7R1.3 CC1COCCN1 17245 [1,0,0,1,0,0|1,1,0]=4 145 B7R1.3 CN1CCCCC1 7703 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.3 C[C@@H]1CCCCN1 14248 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.3 C[C@@H]1CNCCN1 13111 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.3 C[C@@H]1CNCCN1 15034 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.3 C[C@@H]1CNCCO1 15013 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.3 C[C@@H]1CNCCO1 17029 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.3 C[C@@H]1COCCN1 11363 [1,0,0,1,0,0|1,1,0]=4 152 B7R1.3 C[C@@H]1COCCN1 17244 [1,0,0,1,0,0|1,1,0]=4 153 B7R1.3 C[C@H]1CCCCN1 15597 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.3 C[C@H]1CNCCN1 15035 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.3 C[C@H]1CNCCO1 11359 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.3 C[C@H]1CNCCO1 17028 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.3 C[C@H]1COCCN1 11364 [1,0,0,1,0,0|1,1,0]=4 158 B7R1.3 C[C@H]1COCCN1 17226 [1,0,0,1,0,0|1,1,0]=4 159 B7R1.3 FC1CCCNC1 24370 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.3 F[C@@H]1CCCNC1 24371 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.3 F[C@H]1CCCNC1 24372 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.3 NC1CCCNC1 6731 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.3 NC1CCCNC1 6755 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.3 NC1CCCOC1 20424 [1,0,0,1,0,0|1,1,0]=4 165 B7R1.3 NC1CCSCC1 18748 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.3 N[C@@H]1CCCNC1 3013 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.3 N[C@@H]1CCCOC1 19625 [1,0,0,1,0,0|1,1,0]=4 168 B7R1.3 N[C@@H]1CCCOC1 22289 [1,0,0,1,0,0|1,1,0]=4 169 B7R1.3 N[C@H]1CCCNC1 11476 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.3 N[C@H]1CCCOC1 19623 [1,0,0,1,0,0|1,1,0]=4 171 B7R1.3 N[C@H]1CCCOC1 22290 [1,0,0,1,0,0|1,1,0]=4 172 B7R1.3 OC1CCCNC1 6782 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.3 OC1CCCNC1 6818 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.3 OC1CCCOC1 20064 [1,0,0,1,0,0|1,1,0]=4 175 B7R1.3 O[C@@H]1CCCNC1 11310 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 O[C@@H]1CCCNC1 24363 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.3 O[C@@H]1CCCOC1 24398 [1,0,0,1,0,0|1,1,0]=4 178 B7R1.3 O[C@H]1CCCNC1 11309 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.3 O[C@H]1CCCNC1 24364 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.3 O[C@H]1CCCOC1 24399 [1,0,0,1,0,0|1,1,0]=4 181 B7R1.6 OCCN1CCC1 34771 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.24 C1CNCCNC1 8556 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.24 C1CNCCOC1 25220 [1,0,0,1,0,0|1,1,0]=4 184 B9R1.8 CCCC1CCNCC1 2452 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.8 CCCC1CCNCC1 2489 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.8 CCC[C@@H]1CCCCN1 15600 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.8 CCC[C@H]1CCCCN1 15602 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.8 CCOC1CCCNC1 31884 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.8 COCC1CCCCN1 17613 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.8 NCCC1CCCCO1 17887 [0,1,0,1,0,0|1,1,0]=4 191 B9R1.8 OCCC1CCCCN1 7711 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.12 CCCCN1CCCC1 14061 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.12 ClCCCN1CCCC1 23184 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.12 ClCCCN1CCCC1 25574 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.15 CCC1CCCOC1=O 26311 [0,1,0,1,0,0|1,1,0]=4 196 B9R1.33 CCCN1CCCC1=O 9160 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.89 OCC1CCCCCC1 16220 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.118 CCC1(O)CCCCC1 20382 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.118 CCC1(O)CCCCC1 35497 [0,1,0,1,0,0|2,0,0]=4 200 B9R2.3 C1CC2CNCC2C1 2037 [0,0,0,2,0,0|2,0,0]=4 201 B9R2.3 C1CC2CNCC2C1 9779 [0,0,0,2,0,0|2,0,0]=4 202 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 11405 [0,0,0,2,0,0|2,0,0]=4