0 B6R0.6 BrCCCCCBr 3909 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 C#CCCCCC 13058 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCCO 13078 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 CCCC#CCO 13064 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CCCCCC=O 3077 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 CCCCCCBr 3776 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 CCCCCCI 3945 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 CCCCNCC 10254 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.6 CCCCOCC 12525 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.6 CCCOCCCl 14348 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 CCC\C=C\CO 18917 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 CCOCCCO 1937 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 COCCCCCl 1935 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.6 COCCCCO 1938 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.6 ClCCCCCBr 15271 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 ClCCNCCCl 14168 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 ClCCOCCCl 18689 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 ICCCCCI 3853 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 N#CCCCCBr 26949 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 N#CCCCCCl 25473 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.6 NCCOCCN 31824 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.6 NCCOCCN 31825 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.6 O=CCCCCCl 27418 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 OCCCCCBr 22989 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.6 OCCSCCO 35355 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.2 BrCCCCBr 3870 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 C#CCCCC 13057 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 C#CCCCCl 34956 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 C#CCCCO 2025 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 CCC#CCBr 35958 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 CCCCCI 3960 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.2 CCCNCC 10270 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.2 CCOCCBr 12476 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.2 CCOCCCl 1932 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.2 CNCCCN 26279 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.2 CNCCCO 30456 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 COCCCBr 11240 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.2 COCCCCl 18632 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.2 COCCCN 16804 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 COCCCO 1936 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.2 ClCCCCBr 36136 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 ICCCCI 3842 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 N#CCCCBr 28726 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.2 N#CCCCCl 26537 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.2 NCCCCN 25424 [1,0,0,0,0,0|0,0,0]=1 45 B5R0.2 NC\C=C\CCl 25442 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.2 OCCCCCl 17292 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 OCCCCCl 23235 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.1 BrCCCCCCBr 3894 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.1 C#CCCCCCC 13059 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.1 C#CCCCCCO 13080 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.1 C=CCCCCCBr 26398 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.1 C=CCCCCCCl 25249 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.1 CCCCCCCBr 3775 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.1 CCCCCCCI 3944 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.1 CCOCCCCCl 1933 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.1 ICCCCCCI 3846 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.1 N#CCCCCCBr 12505 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.1 NCCCCCCO 13750 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.1 NCC[Se][Se]CCN 30278 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.1 OCCCCCCCl 16921 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.3 CC(CO)CCCO 25460 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.3 CCCCC(Br)CBr 3891 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.4 CC(C)CCCCBr 35107 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.4 CCCCCC(C)O 3094 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.4 CCCCC[C@@H](C)O 6739 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.4 CCCCC[C@H](C)O 6736 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.4 NCCCCC(=O)O 18964 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.4 NCCCCC(=O)O 31880 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.7 CCCC(N)CCC 12594 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.7 CCOC(=O)CCN 10927 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.7 O=C(CCCl)CCCl 2482 [0,1,0,0,0,0|3,0,0]=4 72 B7R1.1 BrCC1CCCC1 3104 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.1 BrCC1CCCO1 6941 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.1 BrCC1OCCO1 31979 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.1 ClCC1=NCCN1 35031 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.1 ClCC1CCCO1 7061 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.1 ClCC1OCCO1 31981 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.1 N#CC1CCCN1 9421 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.1 NCC1CCCO1 6998 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.1 NCC1CCNC1 11185 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.1 NC[C@@H]1CCCO1 14101 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.1 NC[C@@H]1CCCO1 17261 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.1 NC[C@@H]1CCNC1 11186 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.1 NC[C@@H]1CCOC1 20493 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.1 NC[C@H]1CCCN1 16320 [0,0,0,1,0,0|1,0,0]=2 86 B7R1.1 NC[C@H]1CCCO1 7001 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.1 NC[C@H]1CCNC1 11187 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.1 NC[C@H]1CCOC1 20502 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.1 NNC1CCCC1 16307 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.1 OCC1CCCC1 3097 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.1 OCC1CCCO1 7086 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.1 OC[C@@H]1CCCN1 6910 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.1 OC[C@@H]1CCCO1 26288 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.1 OC[C@H]1CCCN1 6912 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.1 OC[C@H]1CCCO1 26287 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.3 BrC1CCCCN1 6734 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.3 BrC1CCCNC1 6733 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.3 CC1CCCCN1 7704 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.3 CC1CCCNC1 7705 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.3 CC1CNCCN1 8560 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.3 CC1CNCCO1 14222 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.3 CC1COCCN1 14221 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.3 CC1COCCN1 17245 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.3 C[C@@H]1CCCCN1 14248 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.3 C[C@@H]1CNCCN1 13111 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.3 C[C@@H]1CNCCN1 15034 [0,0,0,1,0,0|1,0,0]=2 107 B7R1.3 C[C@@H]1CNCCO1 15013 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.3 C[C@@H]1CNCCO1 17029 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.3 C[C@@H]1COCCN1 11363 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.3 C[C@@H]1COCCN1 17244 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.3 C[C@H]1CCCCN1 15597 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.3 C[C@H]1CNCCN1 15035 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.3 C[C@H]1CNCCO1 11359 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.3 C[C@H]1CNCCO1 17028 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.3 C[C@H]1COCCN1 11364 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.3 C[C@H]1COCCN1 17226 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.3 ClC1CCCCN1 6738 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.3 FC1CCCNC1 24370 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.3 F[C@@H]1CCCNC1 24371 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.3 F[C@H]1CCCNC1 24372 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.3 NC1CCCCN1 6729 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.3 NC1CCCNC1 6731 [0,0,0,1,0,0|1,0,0]=2 123 B7R1.3 NC1CCCNC1 6755 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.3 NC1CCCOC1 20424 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.3 NC1CCNCC1 6727 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.3 NC1CCNCC1 7722 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.3 NC1CCOCC1 22240 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.3 NC1CCOCC1 26069 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.3 NC1CCOCC1 9558 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.3 NC1CCOCC1 9675 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.3 NC1CCSCC1 18748 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.3 NN1CCCCC1 23024 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.3 NN1CCCCC1 23261 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.3 N[C@@H]1CCCNC1 3013 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.3 N[C@@H]1CCCOC1 19625 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.3 N[C@@H]1CCCOC1 22289 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.3 N[C@H]1CCCNC1 11476 [0,0,0,1,0,0|1,0,0]=2 138 B7R1.3 N[C@H]1CCCOC1 19623 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.3 N[C@H]1CCCOC1 22290 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.3 O=C1CCCCN1 16892 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.3 O=C1CCCNC1 24362 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.3 O=C1CCCNC1 26624 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.3 O=C1CNCCN1 23093 [0,0,0,1,0,0|1,0,1]=3 144 B7R1.3 O=C1CNCCN1 8557 [0,0,0,1,0,0|1,0,1]=3 145 B7R1.3 O=C1CNCCO1 27815 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.3 O=C1COCCN1 25157 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.3 OC1CCCCN1 6787 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.3 OC1CCCNC1 6782 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.3 OC1CCCNC1 6818 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.3 OC1CCCOC1 20064 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.3 O[C@@H]1CCCNC1 11310 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.3 O[C@@H]1CCCNC1 24363 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.3 O[C@@H]1CCCOC1 24398 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.3 O[C@H]1CCCNC1 11309 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.3 O[C@H]1CCCNC1 24364 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.3 O[C@H]1CCCOC1 24399 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.4 F[C@@H]1CNC[C@H]1F 23640 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.4 N[C@@H]1CCC[C@H]1O 11874 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.4 N[C@H]1CCC[C@@H]1O 27232 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.4 O[C@H]1COC[C@H]1O 14164 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.6 OCCN1CCC1 34771 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.24 C1CNCCNC1 8556 [0,0,0,1,0,0|1,0,0]=2 163 B7R1.24 C1CNCCOC1 25220 [0,0,0,1,0,0|2,0,0]=3 164 B4R0.2 C=CCCN 10268 [2,0,0,0,0,0|0,0,2]=4 165 B4R0.2 C=CCCN 36002 [2,0,0,0,0,0|0,0,2]=4 166 B4R0.2 CCCCBr 3752 [2,0,0,0,0,0|1,0,0]=3 167 B4R0.2 CCCCI 3939 [2,0,0,0,0,0|1,0,0]=3 168 B4R0.2 CCNCC 14036 [2,0,0,0,0,0|0,0,0]=2 169 B4R0.2 CCNCC 17237 [2,0,0,0,0,0|0,0,0]=2 170 B4R0.2 CCOCCl 18683 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.2 CC[B+]CC 26091 [2,0,0,0,0,0|1,0,0]=3 172 B4R0.2 CNCC#N 35842 [2,0,0,0,0,0|0,0,2]=4 173 B4R0.2 CNCCCl 35179 [2,0,0,0,0,0|1,0,0]=3 174 B4R0.2 CNCCN 4020 [2,0,0,0,0,0|0,0,0]=2 175 B4R0.2 COCCBr 2138 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.2 COCCCl 1911 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.2 COCCO 35138 [2,0,0,0,0,0|2,0,0]=4 178 B4R0.2 CSCCCl 35891 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.2 CSCCN 19131 [2,0,0,0,0,0|1,0,0]=3 180 B4R0.2 CSCCO 10846 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.2 C\C=C\CC 19602 [2,0,0,0,0,0|1,0,1]=4 182 B4R0.2 ICCCI 3858 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.2 N#CCCN 19134 [2,0,0,0,0,0|0,0,2]=4 184 B4R0.2 NCCCBr 18801 [2,0,0,0,0,0|1,0,0]=3 185 B4R0.2 NCCCN 10839 [2,0,0,0,0,0|0,0,0]=2 186 B4R0.2 NNCCO 45109 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.1 CCC(C)CCO 35939 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.1 CCOC(=O)CN 10926 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.1 COC(=O)CCN 10900 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.1 C[C@H](CO)CCO 30370 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.1 OCC[C@@H](O)CO 29018 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.4 C=C(C)CNCC 10272 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.4 CC(=O)NCCN 19141 [1,1,0,0,0,0|0,0,1]=3 194 B6R0.4 CC(Br)CCCBr 12546 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.4 CC(C)NCCN 8612 [1,1,0,0,0,0|0,0,0]=2 196 B6R0.4 CCCC[C@@H](C)N 6753 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.4 CCCC[C@@H](C)O 6730 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.4 CCCC[C@H](C)N 6750 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.4 CCCC[C@H](C)O 6732 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.4 CCNCC(=O)O 23122 [1,1,0,0,0,0|1,0,1]=4 201 B8R0.7 CCCCCC[C@@H](C)N 6754 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.7 CCCCCC[C@H](C)N 6748 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.7 N=C(N)NCCCCN 15220 [0,2,0,0,0,0|1,0,1]=4 204 B8R0.7 NCCCCCC(=O)O 35821 [0,2,0,0,0,0|2,0,0]=4 205 B6R1.1 C1CCNCC1 21964 [1,0,0,1,0,0|1,0,0]=3 206 B6R1.1 C1CCNCC1 7701 [1,0,0,1,0,0|1,0,0]=3 207 B6R1.1 C1CCOCC1 9509 [1,0,0,1,0,0|2,0,0]=4 208 B6R1.1 C1CCSCC1 10562 [1,0,0,1,0,0|2,0,0]=4 209 B6R1.1 C1CNCCN1 19047 [1,0,0,1,0,0|0,0,0]=2 210 B6R1.1 C1CNCCN1 24459 [1,0,0,1,0,0|0,0,0]=2 211 B6R1.1 C1COCCN1 15002 [1,0,0,1,0,0|1,0,0]=3 212 B6R1.1 C1COCCN1 18231 [1,0,0,1,0,0|1,0,0]=3 213 B6R1.1 C1CSCCN1 15746 [1,0,0,1,0,0|1,0,0]=3 214 B6R1.2 BrC1CCOC1 26260 [1,0,0,1,0,0|2,0,0]=4 215 B6R1.2 CB1NCCO1 9360 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.2 CC1=NCCN1 10179 [1,0,0,1,0,0|0,0,2]=4 217 B6R1.2 CC1CCCN1 11112 [1,0,0,1,0,0|1,0,0]=3 218 B6R1.2 CC1CCCN1 9410 [1,0,0,1,0,0|1,0,0]=3 219 B6R1.2 CC1CCCO1 10841 [1,0,0,1,0,0|2,0,0]=4 220 B6R1.2 CC1CCCS1 12832 [1,0,0,1,0,0|2,0,0]=4 221 B6R1.2 CC1CCNC1 19859 [1,0,0,1,0,0|1,0,0]=3 222 B6R1.2 C[C@@H]1CCCN1 11117 [1,0,0,1,0,0|1,0,0]=3 223 B6R1.2 C[C@@H]1CCCN1 15593 [1,0,0,1,0,0|1,0,0]=3 224 B6R1.2 C[C@H]1CCCN1 11115 [1,0,0,1,0,0|1,0,0]=3 225 B6R1.2 C[C@H]1CCCN1 15594 [1,0,0,1,0,0|1,0,0]=3 226 B6R1.2 F[C@H]1CCNC1 35776 [1,0,0,1,0,0|1,0,0]=3 227 B6R1.2 NC1=NCCC1 32058 [1,0,0,1,0,0|0,0,2]=4 228 B6R1.2 NC1CCNC1 20096 [1,0,0,1,0,0|0,0,0]=2 229 B6R1.2 NC1CCNC1 30371 [1,0,0,1,0,0|0,0,0]=2 230 B6R1.2 NC1CCNC1 9196 [1,0,0,1,0,0|0,0,0]=2 231 B6R1.2 NC1CCOC1 20203 [1,0,0,1,0,0|1,0,0]=3 232 B6R1.2 NC1CCOC1 24733 [1,0,0,1,0,0|1,0,0]=3 233 B6R1.2 NN1CCCC1 4032 [1,0,0,1,0,0|2,0,0]=4 234 B6R1.2 NN1CCCC1 9801 [1,0,0,1,0,0|2,0,0]=4 235 B6R1.2 N[C@@H]1CCNC1 5728 [1,0,0,1,0,0|0,0,0]=2 236 B6R1.2 N[C@@H]1CCNC1 5730 [1,0,0,1,0,0|0,0,0]=2 237 B6R1.2 N[C@@H]1CCOC1 12612 [1,0,0,1,0,0|1,0,0]=3 238 B6R1.2 N[C@@H]1CCOC1 15496 [1,0,0,1,0,0|1,0,0]=3 239 B6R1.2 N[C@H]1CCNC1 11156 [1,0,0,1,0,0|0,0,0]=2 240 B6R1.2 N[C@H]1CCNC1 5729 [1,0,0,1,0,0|0,0,0]=2 241 B6R1.2 N[C@H]1CCOC1 15126 [1,0,0,1,0,0|1,0,0]=3 242 B6R1.2 O=C1CCCN1 19110 [1,0,0,1,0,0|1,0,1]=4 243 B6R1.2 O=C1CCNC1 21931 [1,0,0,1,0,0|1,0,1]=4 244 B6R1.2 O=C1CNCN1 23395 [1,0,0,1,0,0|1,0,1]=4 245 B6R1.2 OC1CCCC1 20387 [1,0,0,1,0,0|2,0,0]=4 246 B6R1.2 OC1CCNC1 11118 [1,0,0,1,0,0|1,0,0]=3 247 B6R1.2 OC1CCNC1 17435 [1,0,0,1,0,0|1,0,0]=3 248 B6R1.2 O[C@@H]1CCNC1 7469 [1,0,0,1,0,0|1,0,0]=3 249 B6R1.2 O[C@@H]1CCOC1 11341 [1,0,0,1,0,0|2,0,0]=4 250 B6R1.2 O[C@@H]1CCOC1 7071 [1,0,0,1,0,0|2,0,0]=4 251 B6R1.2 O[C@H]1CCNC1 14064 [1,0,0,1,0,0|1,0,0]=3 252 B6R1.2 O[C@H]1CCNC1 15695 [1,0,0,1,0,0|1,0,0]=3 253 B6R1.2 O[C@H]1CCNC1 8981 [1,0,0,1,0,0|1,0,0]=3 254 B6R1.2 O[C@H]1CCOC1 16209 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.2 S=C1CCCN1 20272 [1,0,0,1,0,0|1,0,1]=4 256 B6R1.3 CONC1CC1 25856 [1,0,0,1,0,0|2,0,0]=4 257 B6R1.3 NCCN1CC1 14229 [1,0,0,1,0,0|0,0,0]=2 258 B6R1.3 OCCC1CC1 28819 [1,0,0,1,0,0|2,0,0]=4 259 B6R1.6 BrCC1CCC1 23272 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.6 NCC1CCC1 21304 [1,0,0,1,0,0|1,0,0]=3 261 B6R1.6 NCC1COC1 23208 [1,0,0,1,0,0|2,0,0]=4 262 B6R1.6 OCC1CCC1 23465 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.2 CCC1CCCCN1 6758 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.2 CC[C@@H]1CCCCN1 15599 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.2 CC[C@@H]1COCCN1 11361 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.2 CC[C@@H]1COCCN1 17027 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.2 CC[C@H]1CCCCN1 15598 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.2 CC[C@H]1CNCCO1 11357 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.2 CC[C@H]1CNCCO1 17498 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.2 CC[C@H]1COCCN1 11362 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.2 CC[C@H]1COCCN1 17024 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.2 CNC1CCCNC1 6874 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.2 N#CC1CCCCN1 23031 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.2 N#CC1CNCCO1 27765 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.2 NCC1CCCCC1 20540 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.2 NCC1CCCCN1 6725 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.2 NCC1CCCNC1 35502 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.2 NCC1CCCNC1 6723 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.2 NCC1CCCOC1 14606 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.2 NCC1CCCOC1 16813 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.2 NCC1CCNCC1 6720 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.2 NCC1CCOCC1 9707 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.2 NCC1CCOCC1 9728 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.2 NC[C@@H]1COCCO1 44854 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.2 NNC1CCCCC1 24152 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.2 NNC1CCCCC1 33541 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.2 NNC1CCCCC1 33542 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.2 NOC1CCCCO1 13867 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.2 O=CC1CCCCN1 18309 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.2 O=CC1CCCCN1 6773 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.2 OCC1CCCCN1 6779 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.2 OCC1CCCNC1 6775 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.2 OC[C@@H]1CCCNC1 16103 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.2 OC[C@@H]1CNCCO1 24738 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.2 OC[C@@H]1COCCN1 11411 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.2 OC[C@@H]1COCCN1 21793 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.2 OC[C@H]1CCCNC1 16102 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.2 OC[C@H]1CNCCO1 25361 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.2 OC[C@H]1COCCN1 11412 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.2 OC[C@H]1COCCN1 16824 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.5 CC1CCCNC1C 6756 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.5 CC1CNCCC1=O 15830 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.5 CC1CNCCN1C 9353 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.5 CN1CCNCC1=O 23102 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.5 NC1CCCCC1O 35400 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.5 NC1COCCC1O 26557 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.5 N[C@@H]1CCCC[C@@H]1O 15185 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.5 N[C@@H]1CCCC[C@H]1N 5751 [0,1,0,1,0,0|1,0,0]=3 309 B8R1.5 N[C@@H]1CCCC[C@H]1O 15120 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.5 N[C@@H]1CCCC[C@H]1O 15180 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.5 N[C@@H]1CCCC[C@H]1O 19553 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.5 N[C@@H]1CCOC[C@H]1O 27274 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.5 N[C@H]1CCCC[C@@H]1N 11249 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.5 N[C@H]1CCCC[C@@H]1N 5753 [0,1,0,1,0,0|1,0,0]=3 315 B8R1.5 N[C@H]1CCCC[C@@H]1O 15181 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.5 N[C@H]1CCCC[C@@H]1O 17368 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.5 N[C@H]1CCCC[C@H]1N 30381 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.5 N[C@H]1CCCC[C@H]1O 14514 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.5 N[C@H]1CCCC[C@H]1O 15183 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.5 N[C@H]1CCCC[C@H]1O 19551 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.5 N[C@H]1CCCNC1=O 17890 [0,1,0,1,0,0|1,0,1]=4 322 B8R1.5 O=C1CCNCC1Br 14523 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.8 COCC1CCCN1 23933 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.8 COC[C@@H]1CCCN1 18171 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.8 COC[C@H]1CCCN1 8186 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.8 ClCCN1CCCC1 9357 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.8 NCCC1OCCO1 16803 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.8 NCCN1CCCC1 19139 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.8 NCC[C@H]1CCCN1 20494 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.8 OCCN1CCCC1 16773 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.11 CN1CCCC1CO 9180 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.11 CN1CCC[C@H]1CO 7069 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.22 N[C@@H]1CCCCNC1 22272 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.22 O=C1CCCCCN1 32271 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.22 O=C1CCCNCC1 17662 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 14165 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 35211 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.1 OC[C@@H]1C[C@H](F)CN1 23643 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.3 BrC1CCC(Br)NC1 6747 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.3 CC1CNC(C)CN1 8570 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.3 C[C@H]1CC[C@H](N)CC1 20721 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.3 C[C@H]1CN[C@H](C)CN1 15878 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.3 NC1CCC(Cl)CN1 6752 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.3 N[C@H]1CC[C@@H](N)CC1 15131 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.3 N[C@H]1CC[C@@H](O)CC1 20492 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.3 N[C@H]1CC[C@@H](O)CC1 24009 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.3 N[C@H]1CC[C@@H](O)CC1 24394 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.3 N[C@H]1CC[C@H](N)CC1 15132 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.3 N[C@H]1CC[C@H](O)CC1 19763 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.3 N[C@H]1CC[C@H](O)CC1 5726 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.40 NCC(=O)NC1CC1 16649 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.4 BrC1CCCC(Br)N1 6746 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.4 BrC1CNCC(Br)C1 6745 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.4 CC1CCNC(C)C1 6757 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.4 CC1CNCC(C)C1 7709 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.4 CC1CNCC(C)N1 8571 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.4 CN1CCCC(O)C1 6759 [0,1,0,1,0,0|2,0,0]=4 358 B8R1.4 CN1CCNC(=O)C1 23318 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.4 C[C@@H]1CN(C)CCN1 35531 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 24849 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 35396 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.4 C[C@H]1CCC[C@@H](C)N1 35553 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.4 C[C@H]1CNC[C@@H](C)N1 35970 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.4 C[C@H]1CNC[C@@H](C)O1 16624 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.4 NC1CCCC(O)C1 12673 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.4 N[C@@H]1CCC[C@H](O)C1 19468 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.4 N[C@H]1CCC[C@@H](N)C1 19481 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.4 N[C@H]1CCC[C@H](N)C1 19480 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.4 N[C@H]1CCC[C@H](O)C1 19472 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [0,1,0,1,0,0|1,0,1]=4 371 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [0,1,0,1,0,0|1,0,1]=4 373 B8R1.72 CC1(C)CCCNC1 10316 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.72 CC1(C)CNCCN1 17283 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.72 FC1(F)CCCNC1 10314 [0,1,0,1,0,0|2,0,0]=4 376 B8R2.34 C1O[C@H]2CN[C@@H]1C2 35401 [0,0,0,2,0,0|2,0,0]=4