0 B6R1.2 BrC1CCCC1 HR146931 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.2 BrC1CCOC1 HR32206 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 CC1=NCCC1 HR128050 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 CC1=NCCS1 HR124488 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 CC1CCCN1 HR11117 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 CC1CCCN1 HR136768 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 CC1CCCN1 HR137719 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 CC1CCCN1 HR137972 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 CC1CCCN1 HR138237 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 CC1CCCO1 HR10841 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 CC1CCNC1 HR117788 [0,0,0,0,0,0|2,0,1]=3 11 B6R1.2 CC1CCNC1 HR121513 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 CC1CCNC1 HR142801 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 CC1CCNC1 HR142900 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 CC1CCNC1 HR143674 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 CC1CCOC1 HR144126 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 CC1CCSC1 HR124140 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 CC1COCO1 HR124771 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 CN1CCCC1 HR130486 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 ClC1=CCCC1 HR140861 [0,0,0,0,0,0|1,0,1]=2 20 B6R1.2 ClC1CCCC1 HR100908 [0,0,0,0,0,0|1,0,1]=2 21 B6R1.2 ClC1CCOC1 HR146389 [0,0,0,0,0,0|2,0,1]=3 22 B6R1.2 ClP1OCCO1 HR108760 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 FC1CCNC1 HR108608 [0,0,0,0,0,0|2,0,1]=3 24 B6R1.2 FC1CCNC1 HR111906 [0,0,0,0,0,0|2,0,1]=3 25 B6R1.2 FC1CCNC1 HR113706 [0,0,0,0,0,0|2,0,1]=3 26 B6R1.2 FC1CCNC1 HR148267 [0,0,0,0,0,0|2,0,1]=3 27 B6R1.2 IC1CCOC1 HR121544 [0,0,0,0,0,0|2,0,1]=3 28 B6R1.2 NC1=NCCC1 HR112379 [0,0,0,0,0,0|2,0,0]=2 29 B6R1.2 NC1=NCCC1 HR112697 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 NC1=NCCS1 HR138483 [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 NC1CC=CC1 HR106458 [0,0,0,0,0,0|1,0,3]=4 32 B6R1.2 NC1CCCC1 TRXM00901 [0,0,0,0,0,0|1,0,1]=2 33 B6R1.2 NC1CCNC1 HR122368 [0,0,0,0,0,0|2,0,1]=3 34 B6R1.2 NC1CCNC1 HR122634 [0,0,0,0,0,0|2,0,1]=3 35 B6R1.2 NC1CCNC1 HR123574 [0,0,0,0,0,0|2,0,1]=3 36 B6R1.2 NC1CCNC1 HR123838 [0,0,0,0,0,0|2,0,1]=3 37 B6R1.2 NC1CCNC1 HR136682 [0,0,0,0,0,0|2,0,1]=3 38 B6R1.2 NC1CCNC1 HR136939 [0,0,0,0,0,0|2,0,1]=3 39 B6R1.2 NC1CCOC1 HR110868 [0,0,0,0,0,0|2,0,1]=3 40 B6R1.2 NC1CCOC1 HR119912 [0,0,0,0,0,0|2,0,1]=3 41 B6R1.2 NC1CCOC1 HR145986 [0,0,0,0,0,0|2,0,1]=3 42 B6R1.2 NC1CCOC1 HR15126 [0,0,0,0,0,0|2,0,1]=3 43 B6R1.2 NC1CCOC1 HR15496 [0,0,0,0,0,0|2,0,1]=3 44 B6R1.2 NC1CCOC1 HR33445 [0,0,0,0,0,0|2,0,1]=3 45 B6R1.2 NC1CCOC1 HR33446 [0,0,0,0,0,0|2,0,1]=3 46 B6R1.2 NN1CCCC1 HR127037 [0,0,0,0,0,0|2,0,0]=2 47 B6R1.2 NN1CCCC1 HR4032 [0,0,0,0,0,0|2,0,0]=2 48 B6R1.2 O=C1C=CCC1 HR136753 [0,0,0,0,0,0|0,0,2]=2 49 B6R1.2 O=C1C=CCO1 HR119486 [0,0,0,0,0,0|1,0,2]=3 50 B6R1.2 O=C1C=CON1 HR31911 [0,0,0,0,0,0|2,0,2]=4 51 B6R1.2 O=C1C=CSN1 HR146483 [0,0,0,0,0,0|2,0,2]=4 52 B6R1.2 O=C1CC=CC1 HR111189 [0,0,0,0,0,0|0,0,2]=2 53 B6R1.2 O=C1CCCC1 HR147576 [0,0,0,0,0,0|0,0,0]=0 54 B6R1.2 O=C1CCCN1 HR144424 [0,0,0,0,0,0|1,0,0]=1 55 B6R1.2 O=C1CCCN1 HR147307 [0,0,0,0,0,0|1,0,0]=1 56 B6R1.2 O=C1CCNC1 HR126926 [0,0,0,0,0,0|1,0,0]=1 57 B6R1.2 O=C1CCNC1 HR127189 [0,0,0,0,0,0|1,0,0]=1 58 B6R1.2 O=C1CCNN1 HR146471 [0,0,0,0,0,0|2,0,0]=2 59 B6R1.2 O=C1CCOC1 HR109194 [0,0,0,0,0,0|1,0,0]=1 60 B6R1.2 O=C1CCSC1 HR5575 [0,0,0,0,0,0|1,0,0]=1 61 B6R1.2 O=C1CNCN1 HR114619 [0,0,0,0,0,0|2,0,0]=2 62 B6R1.2 O=C1CO[Pt]O1 HR131319 [0,0,0,0,0,0|3,0,0]=3 63 B6R1.2 O=C1N=CN=N1 HR101779 [0,0,0,0,0,0|3,0,1]=4 64 B6R1.2 O=C1N=CNN1 HR123246 [0,0,0,0,0,0|3,0,1]=4 65 B6R1.2 O=C1NCCN1 HR124833 [0,0,0,0,0,0|2,0,0]=2 66 B6R1.2 O=C1NCCN1 HR138382 [0,0,0,0,0,0|2,0,0]=2 67 B6R1.2 O=C1NCCO1 HR134554 [0,0,0,0,0,0|2,0,0]=2 68 B6R1.2 O=C1NCCS1 HR14582 [0,0,0,0,0,0|2,0,0]=2 69 B6R1.2 O=C1OC=CO1 HR128933 [0,0,0,0,0,0|2,0,2]=4 70 B6R1.2 O=C1OCCO1 APSA06102 [0,0,0,0,0,0|2,0,0]=2 71 B6R1.2 O=S1OCCO1 HR134061 [0,0,0,0,0,0|3,0,0]=3 72 B6R1.2 OC1CC=CC1 HR30107 [0,0,0,0,0,0|0,0,4]=4 73 B6R1.2 OC1CCNC1 HR122348 [0,0,0,0,0,0|1,0,2]=3 74 B6R1.2 OC1CCNC1 HR128986 [0,0,0,0,0,0|1,0,2]=3 75 B6R1.2 OC1CCNC1 HR135087 [0,0,0,0,0,0|1,0,2]=3 76 B6R1.2 OC1CCNC1 HR137212 [0,0,0,0,0,0|1,0,2]=3 77 B6R1.2 OC1CCNC1 HR137477 [0,0,0,0,0,0|1,0,2]=3 78 B6R1.2 OC1CCNC1 HR138968 [0,0,0,0,0,0|1,0,2]=3 79 B6R1.2 OC1CCOC1 HR133245 [0,0,0,0,0,0|1,0,2]=3 80 B6R1.2 OC1CCOC1 HR137216 [0,0,0,0,0,0|1,0,2]=3 81 B6R1.2 OC1CCOC1 HR16209 [0,0,0,0,0,0|1,0,2]=3 82 B6R1.2 OC1CCOC1 HR7071 [0,0,0,0,0,0|1,0,2]=3 83 B6R1.2 OC1CCSC1 HR122102 [0,0,0,0,0,0|1,0,2]=3 84 B6R1.2 S=C1NCCN1 HR138122 [0,0,0,0,0,0|2,1,0]=3 85 B6R1.2 SC1=NCCS1 HR136402 [0,0,0,0,0,0|2,1,0]=3 86 B6R1.2 SC1CCCC1 HR134369 [0,0,0,0,0,0|0,1,1]=2 87 B5R1.1 C1=CCNC1 HR105680 [1,0,0,0,0,0|1,0,1]=3 88 B5R1.1 C1=CCNC1 HR134578 [1,0,0,0,0,0|1,0,1]=3 89 B5R1.1 C1=CCOC1 HR126187 [1,0,0,0,0,0|1,0,1]=3 90 B5R1.1 C1=COCC1 CEJL02606 [1,0,0,0,0,0|1,0,1]=3 91 B5R1.1 C1CCNC1 HR147708 [1,0,0,0,0,0|1,0,0]=2 92 B5R1.1 C1CCOC1 HR118830 [1,0,0,0,0,0|1,0,0]=2 93 B5R1.1 C1CCOC1 HR130654 [1,0,0,0,0,0|1,0,0]=2 94 B7R1.1 BrCC1CCCC1 HR3104 [0,1,0,0,0,0|1,0,1]=3 95 B7R1.1 BrCC1CCCO1 HR129840 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.1 BrCC1CCOC1 HR103769 [0,1,0,0,0,0|2,0,1]=4 97 B7R1.1 Br[Mg]C1CCCC1 HR125805 [0,1,0,0,0,0|1,0,1]=3 98 B7R1.1 C#CC1CCCC1 HR119915 [0,1,0,0,0,0|1,0,1]=3 99 B7R1.1 CCC1=NCCO1 HR131444 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.1 CCN1CCCC1 HR139662 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.1 CNC1CCNC1 HR120595 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.1 CNC1CCNC1 HR120910 [0,1,0,0,0,0|2,0,1]=4 103 B7R1.1 CNC1CCOC1 HR117706 [0,1,0,0,0,0|2,0,1]=4 104 B7R1.1 CNC1CCOC1 HR119346 [0,1,0,0,0,0|2,0,1]=4 105 B7R1.1 COC1=NCCN1 HR121684 [0,1,0,0,0,0|2,0,1]=4 106 B7R1.1 COC1CCCC1 HR102853 [0,1,0,0,0,0|0,0,2]=3 107 B7R1.1 COC1CCNC1 HR108681 [0,1,0,0,0,0|1,0,2]=4 108 B7R1.1 COC1CCNC1 HR121825 [0,1,0,0,0,0|1,0,2]=4 109 B7R1.1 COC1CCNC1 HR145941 [0,1,0,0,0,0|1,0,2]=4 110 B7R1.1 COC1CCNC1 HR145942 [0,1,0,0,0,0|1,0,2]=4 111 B7R1.1 COC1CCNC1 HR147769 [0,1,0,0,0,0|1,0,2]=4 112 B7R1.1 COC1CCNC1 HR147770 [0,1,0,0,0,0|1,0,2]=4 113 B7R1.1 CSC1=NCCS1 HR105452 [0,1,0,0,0,0|2,1,0]=4 114 B7R1.1 CSC1=NCCS1 HR124600 [0,1,0,0,0,0|2,1,0]=4 115 B7R1.1 ClCC1=NCCN1 HR127500 [0,1,0,0,0,0|3,0,0]=4 116 B7R1.1 ClCC1CCCO1 HR119687 [0,1,0,0,0,0|2,0,1]=4 117 B7R1.1 Cl[Mg]C1CCCC1 HR125549 [0,1,0,0,0,0|1,0,1]=3 118 B7R1.1 N#CC1CCCN1 HR100120 [0,1,0,0,0,0|2,0,1]=4 119 B7R1.1 N#CC1CCCN1 HR134124 [0,1,0,0,0,0|2,0,1]=4 120 B7R1.1 N#CC1CCNC1 HR149013 [0,1,0,0,0,0|2,0,1]=4 121 B7R1.1 N#CC1CCOC1 HR111588 [0,1,0,0,0,0|2,0,1]=4 122 B7R1.1 NCC1CCCC1 HR113514 [0,1,0,0,0,0|1,0,1]=3 123 B7R1.1 NCC1CCCC1 HR143637 [0,1,0,0,0,0|1,0,1]=3 124 B7R1.1 NCC1CCCN1 HR142418 [0,1,0,0,0,0|2,0,1]=4 125 B7R1.1 NCC1CCCO1 HR130884 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.1 NCC1CCCO1 HR146003 [0,1,0,0,0,0|2,0,1]=4 127 B7R1.1 NCC1CCOC1 HR112138 [0,1,0,0,0,0|2,0,1]=4 128 B7R1.1 NNC1CCCC1 HR137608 [0,1,0,0,0,0|1,0,1]=3 129 B7R1.1 O=CC1=CCSC1 HR113279 [0,1,0,0,0,0|1,0,1]=3 130 B7R1.1 O=CC1CCCC1 HR129057 [0,1,0,0,0,0|0,0,1]=2 131 B7R1.1 O=CC1CCCO1 HR106351 [0,1,0,0,0,0|1,0,1]=3 132 B7R1.1 O=CC1CCOC1 HR111279 [0,1,0,0,0,0|1,0,1]=3 133 B7R1.1 OCC1CCCC1 HR132881 [0,1,0,0,0,0|0,0,2]=3 134 B7R1.1 OCC1CCCN1 HR103019 [0,1,0,0,0,0|1,0,2]=4 135 B7R1.1 OCC1CCCN1 HR127601 [0,1,0,0,0,0|1,0,2]=4 136 B7R1.1 OCC1CCCN1 HR137906 [0,1,0,0,0,0|1,0,2]=4 137 B7R1.1 OCC1CCCO1 HR7086 [0,1,0,0,0,0|1,0,2]=4 138 B7R1.1 OCC1CCNC1 HR102864 [0,1,0,0,0,0|1,0,2]=4 139 B7R1.1 OCC1CCNC1 HR103174 [0,1,0,0,0,0|1,0,2]=4 140 B7R1.1 OCC1CCNC1 HR106887 [0,1,0,0,0,0|1,0,2]=4 141 B7R1.1 OCC1CCNC1 HR120104 [0,1,0,0,0,0|1,0,2]=4 142 B7R1.1 OCC1CCOC1 HR103184 [0,1,0,0,0,0|1,0,2]=4 143 B7R1.1 OCC1CCOC1 HR114642 [0,1,0,0,0,0|1,0,2]=4 144 B7R1.1 OCC1CCOC1 HR114966 [0,1,0,0,0,0|1,0,2]=4 145 B7R1.1 ON=C1CCCC1 HR108538 [0,1,0,0,0,0|0,0,1]=2 146 B7R1.2 CC1=CC(=O)CC1 HR137516 [0,1,0,0,0,0|0,0,2]=3 147 B7R1.2 CC1=CC(=O)CO1 HR119186 [0,1,0,0,0,0|1,0,2]=4 148 B7R1.2 CC1=CC(=O)OC1 HR118210 [0,1,0,0,0,0|1,0,2]=4 149 B7R1.2 CC1=CCC(=O)O1 HR136942 [0,1,0,0,0,0|1,0,2]=4 150 B7R1.2 CC1=NNC(=O)C1 HR133577 [0,1,0,0,0,0|2,0,1]=4 151 B7R1.2 CC1CCC(=O)O1 HR126256 [0,1,0,0,0,0|1,0,0]=2 152 B7R1.2 CC1CCC(N)C1 HR109161 [0,1,0,0,0,0|1,0,1]=3 153 B7R1.2 CC1CNC(=O)C1 HR146359 [0,1,0,0,0,0|1,0,0]=2 154 B7R1.2 CC1CNC(=O)C1 HR146360 [0,1,0,0,0,0|1,0,0]=2 155 B7R1.2 CC1CNC(=O)C1 HR146369 [0,1,0,0,0,0|1,0,0]=2 156 B7R1.2 CC1COC(=O)O1 HR125363 [0,1,0,0,0,0|2,0,0]=3 157 B7R1.2 CC1COC(=O)O1 HR128407 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.2 CC1COC(=O)O1 HR129273 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.2 CN1CCC(=O)C1 HR102484 [0,1,0,0,0,0|1,0,0]=2 160 B7R1.2 CN1CCC(N)C1 HR114870 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.2 CN1CCC(O)C1 HR127095 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.2 CN1CCC(O)C1 HR138502 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.2 CN1CCC(O)C1 HR138762 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.2 NC1=NC(=O)CS1 HR101133 [0,1,0,0,0,0|2,0,1]=4 165 B7R1.2 NC1CCC(=O)C1 HR145995 [0,1,0,0,0,0|0,0,0]=1 166 B7R1.2 NC1CCC(N)C1 HR146090 [0,1,0,0,0,0|1,0,1]=3 167 B7R1.2 NC1CCC(N)C1 HR146091 [0,1,0,0,0,0|1,0,1]=3 168 B7R1.2 NC1CCC(N)C1 HR146092 [0,1,0,0,0,0|1,0,1]=3 169 B7R1.2 NC1CCC(O)C1 HR146093 [0,1,0,0,0,0|0,0,2]=3 170 B7R1.2 NC1CCC(O)C1 HR146099 [0,1,0,0,0,0|0,0,2]=3 171 B7R1.2 NC1CCC(O)C1 HR146100 [0,1,0,0,0,0|0,0,2]=3 172 B7R1.2 NC1CCC(O)C1 HR146101 [0,1,0,0,0,0|0,0,2]=3 173 B7R1.2 NC1CCC(O)C1 HR146102 [0,1,0,0,0,0|0,0,2]=3 174 B7R1.2 NC1CCC(O)C1 HR146103 [0,1,0,0,0,0|0,0,2]=3 175 B7R1.2 NC1CCC(O)C1 HR146104 [0,1,0,0,0,0|0,0,2]=3 176 B7R1.2 NC1CCC(O)C1 HR146105 [0,1,0,0,0,0|0,0,2]=3 177 B7R1.2 NC1CCC(O)C1 HR148648 [0,1,0,0,0,0|0,0,2]=3 178 B7R1.2 NC1CCC(O)C1 HR30204 [0,1,0,0,0,0|0,0,2]=3 179 B7R1.2 NC1COC(=O)C1 HR14757 [0,1,0,0,0,0|1,0,0]=2 180 B7R1.2 NC1COC(=O)C1 HR14758 [0,1,0,0,0,0|1,0,0]=2 181 B7R1.2 O=C1C=C(O)CN1 HR104155 [0,1,0,0,0,0|1,0,2]=4 182 B7R1.2 O=C1C=C(O)CO1 HR100679 [0,1,0,0,0,0|1,0,2]=4 183 B7R1.2 O=C1CC(O)CN1 HR138458 [0,1,0,0,0,0|1,0,0]=2 184 B7R1.2 O=C1CC(O)CN1 HR138722 [0,1,0,0,0,0|1,0,0]=2 185 B7R1.2 O=C1CC(O)CN1 HR145864 [0,1,0,0,0,0|1,0,0]=2 186 B7R1.2 O=C1CC(O)CO1 HR126625 [0,1,0,0,0,0|1,0,0]=2 187 B7R1.2 O=C1CC(O)CO1 HR127054 [0,1,0,0,0,0|1,0,0]=2 188 B7R1.2 O=C1CC(S)CN1 HR112550 [0,1,0,0,0,0|1,0,0]=2 189 B7R1.2 O=C1CCC(=O)C1 HR130125 [0,1,0,0,0,0|0,0,1]=2 190 B7R1.2 O=C1CCC(=O)N1 HR135734 [0,1,0,0,0,0|1,0,1]=3 191 B7R1.2 O=C1CCC(=O)O1 HR135468 [0,1,0,0,0,0|1,0,1]=3 192 B7R1.2 O=C1CNC(=O)N1 HR128930 [0,1,0,0,0,0|2,0,1]=4 193 B7R1.2 O=C1COC(=O)C1 HR100364 [0,1,0,0,0,0|1,0,1]=3 194 B7R1.2 O=C1COC(=O)N1 HR103401 [0,1,0,0,0,0|2,0,1]=4 195 B7R1.2 O=C1CSC(=O)N1 HR137564 [0,1,0,0,0,0|2,0,1]=4 196 B7R1.2 O=C1CSC(=S)N1 HR125272 [0,1,0,0,0,0|2,0,1]=4 197 B7R1.2 O=C1OCC(Cl)O1 HR123970 [0,1,0,0,0,0|2,0,0]=3 198 B7R1.2 O=C1OCC(F)O1 HR135652 [0,1,0,0,0,0|2,0,0]=3 199 B7R1.4 BrC1=C(Br)CCC1 HR137703 [0,1,0,0,0,0|1,0,1]=3 200 B7R1.4 C=C1CCOC1=O HR130328 [0,1,0,0,0,0|1,0,1]=3 201 B7R1.4 CC1=C(S)CCO1 HR124755 [0,1,0,0,0,0|1,1,1]=4 202 B7R1.4 CC1=CCCC1=O HR114448 [0,1,0,0,0,0|0,0,2]=3 203 B7R1.4 CC1CCCC1=O HR112329 [0,1,0,0,0,0|0,0,0]=1 204 B7R1.4 CC1CCNC1=O HR103871 [0,1,0,0,0,0|1,0,0]=2 205 B7R1.4 CC1OCCC1=O HR131028 [0,1,0,0,0,0|1,0,0]=2 206 B7R1.4 CC1OCCC1S HR131287 [0,1,0,0,0,0|1,1,1]=4 207 B7R1.4 CC1SCCC1=O HR124610 [0,1,0,0,0,0|1,0,0]=2 208 B7R1.4 CN1CCCC1=O HR130754 [0,1,0,0,0,0|1,0,0]=2 209 B7R1.4 CN1CCOC1=O HR132150 [0,1,0,0,0,0|2,0,0]=3 210 B7R1.4 CN1CCSC1=S HR116749 [0,1,0,0,0,0|2,1,0]=4 211 B7R1.4 ClC1CCOC1Cl HR130865 [0,1,0,0,0,0|2,0,1]=4 212 B7R1.4 NC1CCCC1N HR109799 [0,1,0,0,0,0|1,0,1]=3 213 B7R1.4 NC1CCCC1O HR123573 [0,1,0,0,0,0|0,0,2]=3 214 B7R1.4 NC1CCCC1O HR126055 [0,1,0,0,0,0|0,0,2]=3 215 B7R1.4 NC1CCCC1O HR126723 [0,1,0,0,0,0|0,0,2]=3 216 B7R1.4 NC1CCCC1O HR135381 [0,1,0,0,0,0|0,0,2]=3 217 B7R1.4 NC1CCCC1O HR142701 [0,1,0,0,0,0|0,0,2]=3 218 B7R1.4 NC1CCNC1=O HR148583 [0,1,0,0,0,0|1,0,0]=2 219 B7R1.4 NC1CCOC1=O HR103069 [0,1,0,0,0,0|1,0,0]=2 220 B7R1.4 NC1CCOC1=O HR134625 [0,1,0,0,0,0|1,0,0]=2 221 B7R1.4 NC1CCOC1=O HR137954 [0,1,0,0,0,0|1,0,0]=2 222 B7R1.4 NC1CCOC1=O HR146738 [0,1,0,0,0,0|1,0,0]=2 223 B7R1.4 NC1CCSC1=O HR137672 [0,1,0,0,0,0|1,0,0]=2 224 B7R1.4 NC1CNCC1O HR146002 [0,1,0,0,0,0|1,0,2]=4 225 B7R1.4 NC1COCC1O HR101952 [0,1,0,0,0,0|1,0,2]=4 226 B7R1.4 NC1CONC1=O HR101265 [0,1,0,0,0,0|2,0,0]=3 227 B7R1.4 NC1CONC1=O HR127398 [0,1,0,0,0,0|2,0,0]=3 228 B7R1.4 NC1CONC1=O HR136196 [0,1,0,0,0,0|2,0,0]=3 229 B7R1.4 NN1CCCC1=O GASA04306 [0,1,0,0,0,0|1,0,0]=2 230 B7R1.4 NN1CCOC1=O HR146108 [0,1,0,0,0,0|2,0,0]=3 231 B7R1.4 O=C1CCC=C1O HR148600 [0,1,0,0,0,0|0,0,2]=3 232 B7R1.4 O=C1CCCC1Br HR121144 [0,1,0,0,0,0|0,0,0]=1 233 B7R1.4 O=C1CCCC1Cl HR112783 [0,1,0,0,0,0|0,0,0]=1 234 B7R1.4 O=C1NCCC1O HR102172 [0,1,0,0,0,0|1,0,0]=2 235 B7R1.4 O=C1NCCC1O HR113273 [0,1,0,0,0,0|1,0,0]=2 236 B7R1.4 O=C1NCCC1O HR113406 [0,1,0,0,0,0|1,0,0]=2 237 B7R1.4 O=C1NCCC1O HR147016 [0,1,0,0,0,0|1,0,0]=2 238 B7R1.4 O=C1OCC=C1Br HR102966 [0,1,0,0,0,0|1,0,2]=4 239 B7R1.4 O=C1OCCC1Br HR10714 [0,1,0,0,0,0|1,0,0]=2 240 B7R1.4 OC1CCCC1O HR141990 [0,1,0,0,0,0|0,0,2]=3 241 B7R1.4 OC1CCCC1O HR144744 [0,1,0,0,0,0|0,0,2]=3 242 B7R1.4 OC1CNCC1F HR150226 [0,1,0,0,0,0|1,0,2]=4 243 B7R1.4 OC1CNCC1O HR102451 [0,1,0,0,0,0|1,0,2]=4 244 B7R1.4 OC1CNCC1O HR102769 [0,1,0,0,0,0|1,0,2]=4 245 B7R1.4 OC1CNCC1O HR135572 [0,1,0,0,0,0|1,0,2]=4 246 B7R1.14 CC1(C)CCCN1 HR146007 [0,1,0,0,0,0|2,0,1]=4 247 B7R1.14 CC1(C)CCCN1 HR148431 [0,1,0,0,0,0|2,0,1]=4 248 B7R1.14 CC1(C)CCNC1 HR114052 [0,1,0,0,0,0|2,0,1]=4 249 B7R1.14 CC1(O)CCCC1 HR125170 [0,1,0,0,0,0|0,0,2]=3 250 B7R1.14 CC1(O)CCNC1 HR149014 [0,1,0,0,0,0|1,0,2]=4 251 B7R1.14 C[Si]1(C)CCCC1 HR102186 [0,1,0,0,0,0|1,1,0]=3 252 B7R1.14 FC1(F)CCNC1 HR110447 [0,1,0,0,0,0|2,0,1]=4 253 B7R1.14 FC1(F)CCNC1 HR150471 [0,1,0,0,0,0|2,0,1]=4 254 B7R1.14 O=P1(Cl)OCCO1 HR134335 [0,1,0,0,0,0|3,0,0]=4 255 B7R1.14 O=S1(=O)CCCC1 HR100013 [0,1,0,0,0,0|1,0,0]=2 256 B7R1.14 O=S1(=O)CCCO1 HR136793 [0,1,0,0,0,0|2,0,0]=3 257 B7R1.14 O=S1(=O)OCCO1 HR1902 [0,1,0,0,0,0|3,0,0]=4 258 B5R0.1 C#CCC(=O)O HR107056 [0,0,1,0,0,0|1,0,2]=4 259 B5R0.1 C=C(C)CCO HR139358 [0,0,1,0,0,0|2,0,0]=3 260 B5R0.1 C=C(C)C[Mg]Cl HR118348 [0,0,1,0,0,0|3,0,0]=4 261 B5R0.1 C=C(C)OCC HR135003 [0,0,1,0,0,0|2,0,0]=3 262 B5R0.1 C=CCC(=O)O HR124911 [0,0,1,0,0,0|1,0,2]=4 263 B5R0.1 C=CNC(C)=O HR112565 [0,0,1,0,0,0|1,0,2]=4 264 B5R0.1 CC#CC(=O)O HR16226 [0,0,1,0,0,0|1,0,2]=4 265 B5R0.1 CC(=O)CCCl HR106274 [0,0,1,0,0,0|1,0,0]=2 266 B5R0.1 CC(=O)CCO HR131203 [0,0,1,0,0,0|1,0,0]=2 267 B5R0.1 CC(=O)NCO HR105862 [0,0,1,0,0,0|2,0,0]=3 268 B5R0.1 CC(=O)OC=O HR100841 [0,0,1,0,0,0|2,0,1]=4 269 B5R0.1 CC(=O)OCBr HR127457 [0,0,1,0,0,0|2,0,0]=3 270 B5R0.1 CC(=O)OCCl HR101207 [0,0,1,0,0,0|2,0,0]=3 271 B5R0.1 CC(=O)\C=N\O HR126710 [0,0,1,0,0,0|2,0,1]=4 272 B5R0.1 CC(Br)CCBr HR133153 [0,0,1,0,0,0|2,0,1]=4 273 B5R0.1 CC(C)=CCBr HR133883 [0,0,1,0,0,0|2,0,1]=4 274 B5R0.1 CC(C)=CCCl HR127820 [0,0,1,0,0,0|2,0,1]=4 275 B5R0.1 CC(C)=CCN HR114772 [0,0,1,0,0,0|2,0,1]=4 276 B5R0.1 CC(C)=CCO HR138609 [0,0,1,0,0,0|2,0,1]=4 277 B5R0.1 CC(C)=CCS HR143870 [0,0,1,0,0,0|2,0,1]=4 278 B5R0.1 CC(C)CCI HR3950 [0,0,1,0,0,0|2,0,1]=4 279 B5R0.1 CC(N)CCO HR115385 [0,0,1,0,0,0|2,0,1]=4 280 B5R0.1 CC(N)CCO HR116440 [0,0,1,0,0,0|2,0,1]=4 281 B5R0.1 CC(N)CCO HR148505 [0,0,1,0,0,0|2,0,1]=4 282 B5R0.1 CC(O)CCO HR109448 [0,0,1,0,0,0|1,0,2]=4 283 B5R0.1 CC(O)CCO HR135973 [0,0,1,0,0,0|1,0,2]=4 284 B5R0.1 CCCB(O)O HR138252 [0,0,1,0,0,0|2,0,1]=4 285 B5R0.1 CCCC(=N)N HR126811 [0,0,1,0,0,0|2,0,0]=3 286 B5R0.1 CCCC(=O)Cl HR147587 [0,0,1,0,0,0|1,0,0]=2 287 B5R0.1 CCCC(=O)[O-] HR129884 [0,0,1,0,0,0|1,0,0]=2 288 B5R0.1 CCCC(=O)[O-] HR137474 [0,0,1,0,0,0|1,0,0]=2 289 B5R0.1 CCCC(C)Cl HR139357 [0,0,1,0,0,0|1,0,1]=3 290 B5R0.1 CCCC(C)N HR107397 [0,0,1,0,0,0|1,0,1]=3 291 B5R0.1 CCCC(C)O HR136841 [0,0,1,0,0,0|0,0,2]=3 292 B5R0.1 CCCC(C)O HR137349 [0,0,1,0,0,0|0,0,2]=3 293 B5R0.1 CCCC(C)S HR128554 [0,0,1,0,0,0|0,1,1]=3 294 B5R0.1 CCCC(N)=O HR137715 [0,0,1,0,0,0|1,0,0]=2 295 B5R0.1 CCNC(C)=O HR100775 [0,0,1,0,0,0|1,0,0]=2 296 B5R0.1 CCNC(N)=O HR126748 [0,0,1,0,0,0|2,0,0]=3 297 B5R0.1 CCNC(N)=[NH2+] HR145586 [0,0,1,0,0,0|3,0,0]=4 298 B5R0.1 CCOC(=N)N HR110036 [0,0,1,0,0,0|3,0,0]=4 299 B5R0.1 CCOC(=O)Cl IVSA07702 [0,0,1,0,0,0|2,0,0]=3 300 B5R0.1 CCOC(=S)[S-] HR127593 [0,0,1,0,0,0|2,1,0]=4 301 B5R0.1 CCOC(C)=N HR126641 [0,0,1,0,0,0|2,0,0]=3 302 B5R0.1 CCOC(N)=O HR123919 [0,0,1,0,0,0|2,0,0]=3 303 B5R0.1 CCSC(C)=O HR138399 [0,0,1,0,0,0|1,0,0]=2 304 B5R0.1 CCSC(C)=S HR129552 [0,0,1,0,0,0|1,1,0]=3 305 B5R0.1 CN(C)CCBr HR119410 [0,0,1,0,0,0|3,0,0]=4 306 B5R0.1 CN(C)CCCl HR136060 [0,0,1,0,0,0|3,0,0]=4 307 B5R0.1 CN(C)CCCl HR146713 [0,0,1,0,0,0|3,0,0]=4 308 B5R0.1 CN(C)CCN HR136677 [0,0,1,0,0,0|3,0,0]=4 309 B5R0.1 CN(C)CCO HR147675 [0,0,1,0,0,0|3,0,0]=4 310 B5R0.1 CN(C)CCS HR128457 [0,0,1,0,0,0|3,0,0]=4 311 B5R0.1 CN(C)CCS HR129079 [0,0,1,0,0,0|3,0,0]=4 312 B5R0.1 CNCC(=O)O HR132326 [0,0,1,0,0,0|2,0,0]=3 313 B5R0.1 CNCC(=O)[O-] HR133335 [0,0,1,0,0,0|2,0,0]=3 314 B5R0.1 COCC(=N)N HR105552 [0,0,1,0,0,0|3,0,0]=4 315 B5R0.1 COCC(=O)Cl HR138385 [0,0,1,0,0,0|2,0,0]=3 316 B5R0.1 COCC(=O)O HR137614 [0,0,1,0,0,0|2,0,0]=3 317 B5R0.1 COCC(C)=O HR124731 [0,0,1,0,0,0|1,0,0]=2 318 B5R0.1 COCC(C)N HR140312 [0,0,1,0,0,0|2,0,1]=4 319 B5R0.1 COCC(C)O HR106636 [0,0,1,0,0,0|1,0,2]=4 320 B5R0.1 COCC(C)O HR128113 [0,0,1,0,0,0|1,0,2]=4 321 B5R0.1 COCC(C)O HR1904 [0,0,1,0,0,0|1,0,2]=4 322 B5R0.1 CSCC(C)=O HR104929 [0,0,1,0,0,0|1,0,0]=2 323 B5R0.1 CSCC(N)=O HR105921 [0,0,1,0,0,0|2,0,0]=3 324 B5R0.1 C\C=C\C(=O)Cl HR100850 [0,0,1,0,0,0|1,0,2]=4 325 B5R0.1 C\C=C\C(=O)Cl HR133043 [0,0,1,0,0,0|1,0,2]=4 326 B5R0.1 N#CCC(=O)O HR146964 [0,0,1,0,0,0|2,0,1]=4 327 B5R0.1 N#CCC(N)=O HR124127 [0,0,1,0,0,0|2,0,1]=4 328 B5R0.1 NC(=O)CCO HR101159 [0,0,1,0,0,0|2,0,0]=3 329 B5R0.1 NC(=O)NCO HR121643 [0,0,1,0,0,0|3,0,0]=4 330 B5R0.1 NCCC(=O)O HR120135 [0,0,1,0,0,0|2,0,0]=3 331 B5R0.1 NCCC(=O)O HR136538 [0,0,1,0,0,0|2,0,0]=3 332 B5R0.1 NCCC(N)=O HR123050 [0,0,1,0,0,0|2,0,0]=3 333 B5R0.1 NOCC(=O)O HR107090 [0,0,1,0,0,0|3,0,0]=4 334 B5R0.1 O=C(Cl)CCBr HR132550 [0,0,1,0,0,0|2,0,0]=3 335 B5R0.1 O=C(Cl)CCCl HR125686 [0,0,1,0,0,0|2,0,0]=3 336 B5R0.1 O=C(O)CCBr HR146768 [0,0,1,0,0,0|2,0,0]=3 337 B5R0.1 O=C(O)CCI HR118002 [0,0,1,0,0,0|2,0,0]=3 338 B5R0.1 O=C(O)CCO HR12598 [0,0,1,0,0,0|2,0,0]=3 339 B5R0.1 O=C(O)CCS BACQ02107 [0,0,1,0,0,0|2,0,0]=3 340 B5R0.1 O=[N+]([O-])CCO HR122802 [0,0,1,0,0,0|3,0,0]=4 341 B5R0.2 BrCCCCBr HR135783 [0,0,1,0,0,0|2,0,1]=4 342 B5R0.2 C#CCCCBr HR107694 [0,0,1,0,0,0|2,0,1]=4 343 B5R0.2 C#CCCCCl HR138891 [0,0,1,0,0,0|2,0,1]=4 344 B5R0.2 C#CCCCO VIJL03307 [0,0,1,0,0,0|2,0,1]=4 345 B5R0.2 C=CCCC=C HR145060 [0,0,1,0,0,0|1,0,2]=4 346 B5R0.2 C=CCCCBr HR138516 [0,0,1,0,0,0|2,0,0]=3 347 B5R0.2 C=CCCCN HR114551 [0,0,1,0,0,0|2,0,0]=3 348 B5R0.2 C=CCCCO HR127694 [0,0,1,0,0,0|2,0,0]=3 349 B5R0.2 C=CCC[Mg]Br HR117163 [0,0,1,0,0,0|3,0,0]=4 350 B5R0.2 C=CCSSC HR124486 [0,0,1,0,0,0|3,0,0]=4 351 B5R0.2 C=COCCC HR122922 [0,0,1,0,0,0|2,0,0]=3 352 B5R0.2 C=COCCO HR122391 [0,0,1,0,0,0|3,0,0]=4 353 B5R0.2 CCCCSC HR128739 [0,0,1,0,0,0|2,0,0]=3 354 B5R0.2 CCCC[Mg]Cl HR114410 [0,0,1,0,0,0|2,0,0]=3 355 B5R0.2 CCCN=C=S HR101077 [0,0,1,0,0,0|1,1,1]=4 356 B5R0.2 CCCNCC HR129859 [0,0,1,0,0,0|2,0,1]=4 357 B5R0.2 CCCSC#N HR138481 [0,0,1,0,0,0|2,0,1]=4 358 B5R0.2 CCCSCC HR131098 [0,0,1,0,0,0|2,0,1]=4 359 B5R0.2 CCCSSC HR127587 [0,0,1,0,0,0|3,0,0]=4 360 B5R0.2 CCNCCN HR124923 [0,0,1,0,0,0|2,0,1]=4 361 B5R0.2 CCNCCO HR131326 [0,0,1,0,0,0|1,0,2]=4 362 B5R0.2 CCOCCBr HR147270 [0,0,1,0,0,0|2,0,1]=4 363 B5R0.2 CCOCCCl HR125621 [0,0,1,0,0,0|2,0,1]=4 364 B5R0.2 CCOCCN HR133098 [0,0,1,0,0,0|2,0,1]=4 365 B5R0.2 CCOCCN HR141597 [0,0,1,0,0,0|2,0,1]=4 366 B5R0.2 CCO\C=C\Br ATXF02514 [0,0,1,0,0,0|2,0,1]=4 367 B5R0.2 CCSCCCl HR138028 [0,0,1,0,0,0|2,0,1]=4 368 B5R0.2 CC\C=C\C=O HR111713 [0,0,1,0,0,0|0,0,2]=3 369 B5R0.2 CC\C=C\C=O HR139459 [0,0,1,0,0,0|0,0,2]=3 370 B5R0.2 CNCCC#N HR138081 [0,0,1,0,0,0|2,0,1]=4 371 B5R0.2 CNCCCN HR127543 [0,0,1,0,0,0|2,0,1]=4 372 B5R0.2 CNCCNC HR134870 [0,0,1,0,0,0|3,0,0]=4 373 B5R0.2 COCCC#N HR131327 [0,0,1,0,0,0|2,0,1]=4 374 B5R0.2 COCCCBr HR11240 [0,0,1,0,0,0|2,0,1]=4 375 B5R0.2 COCCCCl HR128474 [0,0,1,0,0,0|2,0,1]=4 376 B5R0.2 COCCCN HR131273 [0,0,1,0,0,0|2,0,1]=4 377 B5R0.2 COCCCO HR1936 [0,0,1,0,0,0|1,0,2]=4 378 B5R0.2 COCCOC HR147135 [0,0,1,0,0,0|3,0,0]=4 379 B5R0.2 CSCCCCl HR118093 [0,0,1,0,0,0|2,0,1]=4 380 B5R0.2 C\C=C\CCC HR121014 [0,0,1,0,0,0|1,0,1]=3 381 B5R0.2 C\C=C\OCC HR128979 [0,0,1,0,0,0|2,0,1]=4 382 B5R0.2 ClCCCCBr AZXF00302 [0,0,1,0,0,0|2,0,1]=4 383 B5R0.2 ClCCCCI HR102777 [0,0,1,0,0,0|2,0,1]=4 384 B5R0.2 ICCCCI HR127157 [0,0,1,0,0,0|2,0,1]=4 385 B5R0.2 N#CCCC=O HR111731 [0,0,1,0,0,0|1,0,1]=3 386 B5R0.2 N#CCCCBr HR128031 [0,0,1,0,0,0|2,0,1]=4 387 B5R0.2 N#CCCCCl HR129927 [0,0,1,0,0,0|2,0,1]=4 388 B5R0.2 NCCCCBr HR148711 [0,0,1,0,0,0|2,0,1]=4 389 B5R0.2 NCCCCN HR123185 [0,0,1,0,0,0|2,0,1]=4 390 B5R0.2 NCCCCO HR105259 [0,0,1,0,0,0|1,0,2]=4 391 B5R0.2 O=C=NCCCl HR134295 [0,0,1,0,0,0|2,0,1]=4 392 B5R0.2 O=CCCC=O HR100601 [0,0,1,0,0,0|1,0,1]=3 393 B5R0.2 O=COCCO HR145529 [0,0,1,0,0,0|2,0,0]=3 394 B5R0.2 OCCCCCl HR129662 [0,0,1,0,0,0|1,0,2]=4 395 B5R0.2 SCCCCS HR128290 [0,0,1,0,0,0|1,1,1]=4 396 B5R0.3 C#CC(=O)OC HR133415 [0,0,1,0,0,0|1,0,2]=4 397 B5R0.3 C=C(C=O)CC HR137788 [0,0,1,0,0,0|2,0,1]=4 398 B5R0.3 C=C(CBr)CBr HR116182 [0,0,1,0,0,0|3,0,0]=4 399 B5R0.3 C=C(CO)CO HR129279 [0,0,1,0,0,0|3,0,0]=4 400 B5R0.3 C=CC(=O)CBr HR146340 [0,0,1,0,0,0|1,0,2]=4 401 B5R0.3 C=CC(=O)CBr HR146362 [0,0,1,0,0,0|1,0,2]=4 402 B5R0.3 C=CC(=O)OC LECQ00902 [0,0,1,0,0,0|1,0,2]=4 403 B5R0.3 CCC(=N)NO HR117947 [0,0,1,0,0,0|3,0,0]=4 404 B5R0.3 CCC(=O)CBr HR101618 [0,0,1,0,0,0|1,0,0]=2 405 B5R0.3 CCC(=O)NC HR138361 [0,0,1,0,0,0|1,0,0]=2 406 B5R0.3 CCC(=S)OC HR134757 [0,0,1,0,0,0|1,1,0]=3 407 B5R0.3 CCC(Br)CBr HR126943 [0,0,1,0,0,0|2,0,1]=4 408 B5R0.3 CCC(Br)CC HR126412 [0,0,1,0,0,0|1,0,1]=3 409 B5R0.3 CCC(C)CBr HR126522 [0,0,1,0,0,0|2,0,1]=4 410 B5R0.3 CCC(C)CCl HR111310 [0,0,1,0,0,0|2,0,1]=4 411 B5R0.3 CCC(C)CCl HR129974 [0,0,1,0,0,0|2,0,1]=4 412 B5R0.3 CCC(C)CO HR133183 [0,0,1,0,0,0|2,0,1]=4 413 B5R0.3 CCC(N)CC HR124629 [0,0,1,0,0,0|1,0,1]=3 414 B5R0.3 CCC(N)CO AUSA03801 [0,0,1,0,0,0|2,0,1]=4 415 B5R0.3 CCC(N)CO HR129875 [0,0,1,0,0,0|2,0,1]=4 416 B5R0.3 CCC(N)CO HR145232 [0,0,1,0,0,0|2,0,1]=4 417 B5R0.3 CCC(O)CC HR127807 [0,0,1,0,0,0|0,0,2]=3 418 B5R0.3 CCC(O)CN HR103501 [0,0,1,0,0,0|1,0,2]=4 419 B5R0.3 CCC(O)CO HR101364 [0,0,1,0,0,0|1,0,2]=4 420 B5R0.3 CCC(O)CO HR108310 [0,0,1,0,0,0|1,0,2]=4 421 B5R0.3 CCC(O)CO HR112215 [0,0,1,0,0,0|1,0,2]=4 422 B5R0.3 CCC(S)CC HR120847 [0,0,1,0,0,0|0,1,1]=3 423 B5R0.3 CCC(S)CS HR131558 [0,0,1,0,0,0|1,1,1]=4 424 B5R0.3 CCN(C)CC HR114271 [0,0,1,0,0,0|2,0,0]=3 425 B5R0.3 CCN(O)CC HR136115 [0,0,1,0,0,0|1,0,1]=3 426 B5R0.3 CCS(=O)CC HR101279 [0,0,1,0,0,0|1,0,0]=2 427 B5R0.3 CC[AlH3](I)CC HR145180 [0,0,1,0,0,0|2,0,0]=3 428 B5R0.3 CNC(=N)SC HR125414 [0,0,1,0,0,0|3,0,0]=4 429 B5R0.3 CNC(=O)CBr HR108109 [0,0,1,0,0,0|2,0,0]=3 430 B5R0.3 CNC(=O)NC HR124408 [0,0,1,0,0,0|2,0,0]=3 431 B5R0.3 CNC(=S)NC HR101565 [0,0,1,0,0,0|2,1,0]=4 432 B5R0.3 COC(=N)OC HR100139 [0,0,1,0,0,0|3,0,0]=4 433 B5R0.3 COC(=O)C=O HR131069 [0,0,1,0,0,0|2,0,1]=4 434 B5R0.3 COC(=O)CBr HR147010 [0,0,1,0,0,0|2,0,0]=3 435 B5R0.3 COC(=O)CCl HR147665 [0,0,1,0,0,0|2,0,0]=3 436 B5R0.3 COC(=O)CF HR147087 [0,0,1,0,0,0|2,0,0]=3 437 B5R0.3 COC(=O)CN VAJB00904 [0,0,1,0,0,0|2,0,0]=3 438 B5R0.3 COC(=O)CO HR136159 [0,0,1,0,0,0|2,0,0]=3 439 B5R0.3 COC(=O)CS HR136418 [0,0,1,0,0,0|2,0,0]=3 440 B5R0.3 COC(=O)NN HR17404 [0,0,1,0,0,0|3,0,0]=4 441 B5R0.3 COS(=O)OC HR128367 [0,0,1,0,0,0|3,0,0]=4 442 B5R0.3 CO[PH](=O)OC HR135600 [0,0,1,0,0,0|3,0,0]=4 443 B5R0.3 O=C(CBr)CBr HR100914 [0,0,1,0,0,0|2,0,0]=3 444 B5R0.3 O=C(CCl)CCl HR147139 [0,0,1,0,0,0|2,0,0]=3 445 B5R0.3 O=C(CO)CO HR136414 [0,0,1,0,0,0|2,0,0]=3 446 B7R2.13 C1CC2OC2C1 HR128675 [0,0,0,1,0,0|0,0,2]=3 447 B7R2.13 C1NCC2CC12 HR146000 [0,0,0,1,0,0|2,0,1]=4 448 B7R2.13 C1OCC2OC12 HR125664 [0,0,0,1,0,0|1,0,2]=4 449 B5R1.2 BrC1CCC1 HR102749 [0,0,0,0,1,0|1,0,1]=3 450 B5R1.2 BrC1COC1 HR115176 [0,0,0,0,1,0|2,0,1]=4 451 B5R1.2 CC1CNC1 HR148337 [0,0,0,0,1,0|2,0,1]=4 452 B5R1.2 CC1COC1 HR120786 [0,0,0,0,1,0|2,0,1]=4 453 B5R1.2 ClC1CCC1 HR137502 [0,0,0,0,1,0|1,0,1]=3 454 B5R1.2 FC1CNC1 HR114564 [0,0,0,0,1,0|2,0,1]=4 455 B5R1.2 FC1CNC1 HR119590 [0,0,0,0,1,0|2,0,1]=4 456 B5R1.2 FC1COC1 HR108703 [0,0,0,0,1,0|2,0,1]=4 457 B5R1.2 IC1COC1 HR115483 [0,0,0,0,1,0|2,0,1]=4 458 B5R1.2 NC1CCC1 HR102182 [0,0,0,0,1,0|1,0,1]=3 459 B5R1.2 NC1CCC1 HR132878 [0,0,0,0,1,0|1,0,1]=3 460 B5R1.2 NC1CNC1 HR109096 [0,0,0,0,1,0|2,0,1]=4 461 B5R1.2 NC1COC1 HR102200 [0,0,0,0,1,0|2,0,1]=4 462 B5R1.2 NC1COC1 HR115802 [0,0,0,0,1,0|2,0,1]=4 463 B5R1.2 NC1CSC1 HR112586 [0,0,0,0,1,0|2,0,1]=4 464 B5R1.2 O=C1CCC1 HR9021 [0,0,0,0,1,0|0,0,0]=1 465 B5R1.2 O=C1CCN1 HR128794 [0,0,0,0,1,0|1,0,0]=2 466 B5R1.2 O=C1CCO1 HR101496 [0,0,0,0,1,0|1,0,0]=2 467 B5R1.2 O=C1CNC1 HR108729 [0,0,0,0,1,0|1,0,0]=2 468 B5R1.2 O=C1CNC1 HR114873 [0,0,0,0,1,0|1,0,0]=2 469 B5R1.2 O=C1COC1 HR111276 [0,0,0,0,1,0|1,0,0]=2 470 B5R1.2 O=C1CSC1 HR105015 [0,0,0,0,1,0|1,0,0]=2 471 B5R1.2 OC1CCC1 HR128363 [0,0,0,0,1,0|0,0,2]=3 472 B5R1.2 OC1CNC1 HR114549 [0,0,0,0,1,0|1,0,2]=4 473 B5R1.2 OC1CNC1 HR30109 [0,0,0,0,1,0|1,0,2]=4 474 B5R1.2 OC1COC1 HR111585 [0,0,0,0,1,0|1,0,2]=4 475 B5R1.2 OC1CSC1 HR112439 [0,0,0,0,1,0|1,0,2]=4 476 B7R1.3 BrC1=CCCCC1 HR156605 [0,0,0,0,0,1|1,0,0]=2 477 B7R1.3 BrC1C=CCCC1 HR103088 [0,0,0,0,0,1|1,0,2]=4 478 B7R1.3 BrC1CCCCC1 HR130726 [0,0,0,0,0,1|1,0,1]=3 479 B7R1.3 BrC1CCCOC1 HR120914 [0,0,0,0,0,1|1,0,1]=3 480 B7R1.3 BrC1CCNCC1 HR9060 [0,0,0,0,0,1|1,0,1]=3 481 B7R1.3 BrC1CCOCC1 HR116270 [0,0,0,0,0,1|1,0,1]=3 482 B7R1.3 C=C1CCNCC1 HR142260 [0,0,0,0,0,1|1,0,0]=2 483 B7R1.3 CC1=CCC=CC1 HR142661 [0,0,0,0,0,1|1,0,2]=4 484 B7R1.3 CC1=CCCCC1 HR143913 [0,0,0,0,0,1|1,0,0]=2 485 B7R1.3 CC1CCCCN1 HR103733 [0,0,0,0,0,1|1,0,1]=3 486 B7R1.3 CC1CCCCN1 HR128173 [0,0,0,0,0,1|1,0,1]=3 487 B7R1.3 CC1CCCCN1 HR149767 [0,0,0,0,0,1|1,0,1]=3 488 B7R1.3 CC1CCCCN1 ROXF00402 [0,0,0,0,0,1|1,0,1]=3 489 B7R1.3 CC1CCCNC1 HR146011 [0,0,0,0,0,1|1,0,1]=3 490 B7R1.3 CC1CNCCN1 HR127903 [0,0,0,0,0,1|2,0,1]=4 491 B7R1.3 CC1CNCCN1 HR128397 [0,0,0,0,0,1|2,0,1]=4 492 B7R1.3 CC1CNCCO1 HR108818 [0,0,0,0,0,1|2,0,1]=4 493 B7R1.3 CC1CNCCO1 HR116772 [0,0,0,0,0,1|2,0,1]=4 494 B7R1.3 CC1CNCCO1 HR145331 [0,0,0,0,0,1|2,0,1]=4 495 B7R1.3 CC1CNCCO1 HR17028 [0,0,0,0,0,1|2,0,1]=4 496 B7R1.3 CC1CNCCO1 HR17029 [0,0,0,0,0,1|2,0,1]=4 497 B7R1.3 CC1COCCN1 HR104376 [0,0,0,0,0,1|2,0,1]=4 498 B7R1.3 CC1COCCN1 HR113604 [0,0,0,0,0,1|2,0,1]=4 499 B7R1.3 CC1COCCN1 HR11363 [0,0,0,0,0,1|2,0,1]=4 500 B7R1.3 CC1COCCN1 HR17226 [0,0,0,0,0,1|2,0,1]=4 501 B7R1.3 CC1COCCN1 HR17244 [0,0,0,0,0,1|2,0,1]=4 502 B7R1.3 CC1OCCCO1 HR144647 [0,0,0,0,0,1|2,0,1]=4 503 B7R1.3 CN1CC=CCC1 HR147169 [0,0,0,0,0,1|2,0,1]=4 504 B7R1.3 CN1CCCNC1 AZXF00305 [0,0,0,0,0,1|2,0,0]=3 505 B7R1.3 CN1CCNCC1 PECQ01202 [0,0,0,0,0,1|2,0,0]=3 506 B7R1.3 CN1CCOCC1 HR122939 [0,0,0,0,0,1|2,0,0]=3 507 B7R1.3 ClC1=CCCCC1 HR129641 [0,0,0,0,0,1|1,0,0]=2 508 B7R1.3 ClC1CCCCC1 HR135558 [0,0,0,0,0,1|1,0,1]=3 509 B7R1.3 ClC1CCCOC1 HR146388 [0,0,0,0,0,1|1,0,1]=3 510 B7R1.3 ClC1CCNCC1 HR101047 [0,0,0,0,0,1|1,0,1]=3 511 B7R1.3 ClC1CCNCC1 HR111254 [0,0,0,0,0,1|1,0,1]=3 512 B7R1.3 ClC1CCOCC1 EDCQ03603 [0,0,0,0,0,1|1,0,1]=3 513 B7R1.3 FC1CCCNC1 HR105776 [0,0,0,0,0,1|1,0,1]=3 514 B7R1.3 FC1CCCNC1 HR151296 [0,0,0,0,0,1|1,0,1]=3 515 B7R1.3 FC1CCNCC1 HR103784 [0,0,0,0,0,1|1,0,1]=3 516 B7R1.3 FC1CCNCC1 HR111399 [0,0,0,0,0,1|1,0,1]=3 517 B7R1.3 IC1CCOCC1 HR108494 [0,0,0,0,0,1|1,0,1]=3 518 B7R1.3 NC1=NCCCN1 HR113903 [0,0,0,0,0,1|2,0,0]=3 519 B7R1.3 NC1CCCCC1 HR124720 [0,0,0,0,0,1|1,0,1]=3 520 B7R1.3 NC1CCCCC1 HR128823 [0,0,0,0,0,1|1,0,1]=3 521 B7R1.3 NC1CCCCC1 HR144083 [0,0,0,0,0,1|1,0,1]=3 522 B7R1.3 NC1CCCCC1 HR145293 [0,0,0,0,0,1|1,0,1]=3 523 B7R1.3 NC1CCCCN1 HR113207 [0,0,0,0,0,1|1,0,1]=3 524 B7R1.3 NC1CCCNC1 HR112662 [0,0,0,0,0,1|1,0,1]=3 525 B7R1.3 NC1CCCNC1 HR11476 [0,0,0,0,0,1|1,0,1]=3 526 B7R1.3 NC1CCCNC1 HR120946 [0,0,0,0,0,1|1,0,1]=3 527 B7R1.3 NC1CCCNC1 HR134664 [0,0,0,0,0,1|1,0,1]=3 528 B7R1.3 NC1CCCNC1 HR142505 [0,0,0,0,0,1|1,0,1]=3 529 B7R1.3 NC1CCCNC1 HR3013 [0,0,0,0,0,1|1,0,1]=3 530 B7R1.3 NC1CCCOC1 HR101943 [0,0,0,0,0,1|1,0,1]=3 531 B7R1.3 NC1CCCOC1 HR105701 [0,0,0,0,0,1|1,0,1]=3 532 B7R1.3 NC1CCCOC1 HR114985 [0,0,0,0,0,1|1,0,1]=3 533 B7R1.3 NC1CCCOC1 HR121806 [0,0,0,0,0,1|1,0,1]=3 534 B7R1.3 NC1CCNCC1 HR117691 [0,0,0,0,0,1|1,0,1]=3 535 B7R1.3 NC1CCNCC1 HR127718 [0,0,0,0,0,1|1,0,1]=3 536 B7R1.3 NC1CCOCC1 HR113158 [0,0,0,0,0,1|1,0,1]=3 537 B7R1.3 NC1CCOCC1 HR133397 [0,0,0,0,0,1|1,0,1]=3 538 B7R1.3 NC1CCOCC1 HR9558 [0,0,0,0,0,1|1,0,1]=3 539 B7R1.3 NC1CNCCN1 HR114609 [0,0,0,0,0,1|2,0,1]=4 540 B7R1.3 NN1CCCCC1 HR126890 [0,0,0,0,0,1|2,0,0]=3 541 B7R1.3 NN1CCCCC1 HR127151 [0,0,0,0,0,1|2,0,0]=3 542 B7R1.3 NN1CCNCC1 HR110256 [0,0,0,0,0,1|2,0,0]=3 543 B7R1.3 NN1CCOCC1 HR130001 [0,0,0,0,0,1|2,0,0]=3 544 B7R1.3 O=C1C=CCCC1 HR146309 [0,0,0,0,0,1|0,0,1]=2 545 B7R1.3 O=C1CCCCC1 SIJL01002 [0,0,0,0,0,1|0,0,0]=1 546 B7R1.3 O=C1CCCCN1 HR126393 [0,0,0,0,0,1|0,0,0]=1 547 B7R1.3 O=C1CCCCO1 HR128412 [0,0,0,0,0,1|0,0,0]=1 548 B7R1.3 O=C1CCCNC1 HR108093 [0,0,0,0,0,1|0,0,0]=1 549 B7R1.3 O=C1CCCNC1 HR116769 [0,0,0,0,0,1|0,0,0]=1 550 B7R1.3 O=C1CCCOC1 HR104744 [0,0,0,0,0,1|0,0,0]=1 551 B7R1.3 O=C1CCNCC1 CESA03001 [0,0,0,0,0,1|0,0,0]=1 552 B7R1.3 O=C1CCNCC1 HR105315 [0,0,0,0,0,1|0,0,0]=1 553 B7R1.3 O=C1CCNCC1 HR7756 [0,0,0,0,0,1|0,0,0]=1 554 B7R1.3 O=C1CCOCC1 HR9557 [0,0,0,0,0,1|0,0,0]=1 555 B7R1.3 O=C1CCSCC1 HR123861 [0,0,0,0,0,1|0,0,0]=1 556 B7R1.3 O=C1CC[NH2+]CC1 HR127185 [0,0,0,0,0,1|0,0,0]=1 557 B7R1.3 O=C1CNCCN1 HR132423 [0,0,0,0,0,1|1,0,0]=2 558 B7R1.3 O=C1CNCCO1 HR30209 [0,0,0,0,0,1|1,0,0]=2 559 B7R1.3 O=C1COCCN1 HR115059 [0,0,0,0,0,1|1,0,0]=2 560 B7R1.3 O=C1COCCO1 HR127683 [0,0,0,0,0,1|1,0,0]=2 561 B7R1.3 O=C1CSCCN1 HR147732 [0,0,0,0,0,1|1,0,0]=2 562 B7R1.3 O=C1NCCCN1 HR123216 [0,0,0,0,0,1|1,0,0]=2 563 B7R1.3 O=S1OCCCO1 HR134327 [0,0,0,0,0,1|2,0,0]=3 564 B7R1.3 OC1C=CCCC1 HR108292 [0,0,0,0,0,1|0,0,3]=4 565 B7R1.3 OC1CCCCC1 HR122340 [0,0,0,0,0,1|0,0,2]=3 566 B7R1.3 OC1CCCNC1 HR11310 [0,0,0,0,0,1|0,0,2]=3 567 B7R1.3 OC1CCCNC1 HR122384 [0,0,0,0,0,1|0,0,2]=3 568 B7R1.3 OC1CCCNC1 HR128253 [0,0,0,0,0,1|0,0,2]=3 569 B7R1.3 OC1CCCNC1 HR138469 [0,0,0,0,0,1|0,0,2]=3 570 B7R1.3 OC1CCCOC1 HR105061 [0,0,0,0,0,1|0,0,2]=3 571 B7R1.3 OC1CCNCC1 ACSA02513 [0,0,0,0,0,1|0,0,2]=3 572 B7R1.3 OC1CCNCC1 HR132750 [0,0,0,0,0,1|0,0,2]=3 573 B7R1.3 OC1CCOCC1 HR10170 [0,0,0,0,0,1|0,0,2]=3 574 B7R1.3 OC1CCSCC1 HR117672 [0,0,0,0,0,1|0,0,2]=3 575 B7R1.3 OC1COCOC1 HR132891 [0,0,0,0,0,1|1,0,2]=4 576 B7R1.3 ON1CCCCC1 HR106287 [0,0,0,0,0,1|1,0,1]=3 577 B7R1.3 PC1CCCCC1 HR119652 [0,0,0,0,0,1|1,0,1]=3 578 B7R1.3 SC1CCCCC1 HR119141 [0,0,0,0,0,1|0,1,1]=3 579 B7R1.3 SC1CCOCC1 HR143968 [0,0,0,0,0,1|0,1,1]=3 580 B4R0.1 C=C(C)CBr HR118272 [1,0,1,0,0,0|2,0,0]=4 581 B4R0.1 C=C(C)CN HR103061 [1,0,1,0,0,0|2,0,0]=4 582 B4R0.1 C=C(C)OC HR127251 [1,0,1,0,0,0|2,0,0]=4 583 B4R0.1 C=CC(C)=O NASA01402 [1,0,1,0,0,0|0,0,2]=4 584 B4R0.1 CC(=O)C=O HR138052 [1,0,1,0,0,0|1,0,1]=4 585 B4R0.1 CC(=O)CBr HR147584 [1,0,1,0,0,0|1,0,0]=3 586 B4R0.1 CC(=O)CCl HR146994 [1,0,1,0,0,0|1,0,0]=3 587 B4R0.1 CC(=O)CN HR103911 [1,0,1,0,0,0|1,0,0]=3 588 B4R0.1 CC(=O)CN HR120199 [1,0,1,0,0,0|1,0,0]=3 589 B4R0.1 CC(=O)CO HR130889 [1,0,1,0,0,0|1,0,0]=3 590 B4R0.1 CC(=O)NN HR137209 [1,0,1,0,0,0|2,0,0]=4 591 B4R0.1 CC(=O)NO HR132350 [1,0,1,0,0,0|2,0,0]=4 592 B4R0.1 CC(=O)OO HR147573 [1,0,1,0,0,0|2,0,0]=4 593 B4R0.1 CCC(=N)N HR124081 [1,0,1,0,0,0|2,0,0]=4 594 B4R0.1 CCC(=O)[O-] HR100550 [1,0,1,0,0,0|1,0,0]=3 595 B4R0.1 CCC(=O)[O-] HR104439 [1,0,1,0,0,0|1,0,0]=3 596 B4R0.1 CCC(=O)[O-] HR133146 [1,0,1,0,0,0|1,0,0]=3 597 B4R0.1 CCC(=O)[O-] HR133686 [1,0,1,0,0,0|1,0,0]=3 598 B4R0.1 CCC(=O)[O-] HR140520 [1,0,1,0,0,0|1,0,0]=3 599 B4R0.1 CCC(=O)[O-] HR145618 [1,0,1,0,0,0|1,0,0]=3 600 B4R0.1 CCC(C)N HR146170 [1,0,1,0,0,0|1,0,1]=4 601 B4R0.1 CCC(C)O HR134477 [1,0,1,0,0,0|0,0,2]=4 602 B4R0.1 CCC(C)O HR138640 [1,0,1,0,0,0|0,0,2]=4 603 B4R0.1 CCC(C)[O-] HR123042 [1,0,1,0,0,0|0,0,2]=4 604 B4R0.1 CCC(N)=O HR135085 [1,0,1,0,0,0|1,0,0]=3 605 B4R0.1 CCC(N)=S HR103772 [1,0,1,0,0,0|1,1,0]=4 606 B4R0.1 CCN(C)C HR137292 [1,0,1,0,0,0|2,0,0]=4 607 B4R0.1 CCS(=O)[O-] HR107475 [1,0,1,0,0,0|2,0,0]=4 608 B4R0.1 CC[N+](=O)[O-] ANSA06411 [1,0,1,0,0,0|2,0,0]=4 609 B4R0.1 CNC(=O)Cl HR124675 [1,0,1,0,0,0|2,0,0]=4 610 B4R0.1 CNC(C)=O HR133410 [1,0,1,0,0,0|1,0,0]=3 611 B4R0.1 CNC(N)=O HR130491 [1,0,1,0,0,0|2,0,0]=4 612 B4R0.1 COC(=O)Cl ANSA06440 [1,0,1,0,0,0|2,0,0]=4 613 B4R0.1 COC(N)=O HR124182 [1,0,1,0,0,0|2,0,0]=4 614 B4R0.1 CSC(C)=O HR129778 [1,0,1,0,0,0|1,0,0]=3 615 B4R0.1 NC(=O)CBr HR101040 [1,0,1,0,0,0|2,0,0]=4 616 B4R0.1 NC(=O)CBr HR132005 [1,0,1,0,0,0|2,0,0]=4 617 B4R0.1 NC(=O)CCl HR138619 [1,0,1,0,0,0|2,0,0]=4 618 B4R0.1 NC(=O)CI HR127038 [1,0,1,0,0,0|2,0,0]=4 619 B4R0.1 NCC(=O)O HR123103 [1,0,1,0,0,0|2,0,0]=4 620 B4R0.1 NCC(=O)O HR134482 [1,0,1,0,0,0|2,0,0]=4 621 B4R0.1 NCC(=O)[O-] HR100672 [1,0,1,0,0,0|2,0,0]=4 622 B4R0.1 NCC(=O)[O-] HR132852 [1,0,1,0,0,0|2,0,0]=4 623 B4R0.1 NCC(=O)[O-] HR132860 [1,0,1,0,0,0|2,0,0]=4 624 B4R0.1 NCC(=O)[O-] HR134278 [1,0,1,0,0,0|2,0,0]=4 625 B4R0.1 NCC(=O)[O-] HR136299 [1,0,1,0,0,0|2,0,0]=4 626 B4R0.1 NCC(=O)[O-] HR9921 [1,0,1,0,0,0|2,0,0]=4 627 B4R0.1 NCC(N)=O HR123368 [1,0,1,0,0,0|2,0,0]=4 628 B4R0.1 NCC(N)=O SESA01801 [1,0,1,0,0,0|2,0,0]=4 629 B4R0.1 O=C(Br)CBr POCQ01902 [1,0,1,0,0,0|2,0,0]=4 630 B4R0.1 O=C(Cl)CBr POCQ01905 [1,0,1,0,0,0|2,0,0]=4 631 B4R0.1 O=C(Cl)CCl SQJB01602 [1,0,1,0,0,0|2,0,0]=4 632 B4R0.1 O=C(Cl)CF HR102086 [1,0,1,0,0,0|2,0,0]=4 633 B4R0.1 O=C(O)CBr HR147062 [1,0,1,0,0,0|2,0,0]=4 634 B4R0.1 O=C(O)CCl HR147508 [1,0,1,0,0,0|2,0,0]=4 635 B4R0.1 O=C(O)CO HR128939 [1,0,1,0,0,0|2,0,0]=4 636 B4R0.1 O=C(O)CS HR128237 [1,0,1,0,0,0|2,0,0]=4 637 B4R0.1 O=C([O-])CBr HR116499 [1,0,1,0,0,0|2,0,0]=4 638 B4R0.1 O=C([O-])CI HR131471 [1,0,1,0,0,0|2,0,0]=4 639 B4R0.1 O=C([O-])CO HR134522 [1,0,1,0,0,0|2,0,0]=4 640 B4R0.1 O=C([O-])CS HR135616 [1,0,1,0,0,0|2,0,0]=4 641 B4R0.1 O=C([O-])CS HR135882 [1,0,1,0,0,0|2,0,0]=4 642 B4R0.1 O=C([O-])CS HR136156 [1,0,1,0,0,0|2,0,0]=4 643 B4R0.1 O=C([O-])CS HR137167 [1,0,1,0,0,0|2,0,0]=4 644 B4R0.1 [Li]C(C)CC HR128023 [1,0,1,0,0,0|1,0,1]=4 645 B4R0.2 BrCCCBr HR137338 [1,0,1,0,0,0|2,0,0]=4 646 B4R0.2 C=CCCBr HR124734 [1,0,1,0,0,0|1,0,1]=4 647 B4R0.2 C=CCCN HR116389 [1,0,1,0,0,0|1,0,1]=4 648 B4R0.2 C=CCCO HR127635 [1,0,1,0,0,0|1,0,1]=4 649 B4R0.2 C=CCOC HR111200 [1,0,1,0,0,0|1,0,1]=4 650 B4R0.2 C=CCSC HR122911 [1,0,1,0,0,0|1,0,1]=4 651 B4R0.2 C=COCC CESA03009 [1,0,1,0,0,0|1,0,1]=4 652 B4R0.2 CCCCN HR105634 [1,0,1,0,0,0|1,0,0]=3 653 B4R0.2 CCCCO HR138784 [1,0,1,0,0,0|0,0,1]=3 654 B4R0.2 CCCC[O-] HR125276 [1,0,1,0,0,0|0,0,1]=3 655 B4R0.2 CCCC[Si] HR100255 [1,0,1,0,0,0|0,1,0]=3 656 B4R0.2 CCCNC HR109098 [1,0,1,0,0,0|1,0,0]=3 657 B4R0.2 CCCSC HR128481 [1,0,1,0,0,0|1,0,0]=3 658 B4R0.2 CCC[Mg]Br HR101998 [1,0,1,0,0,0|2,0,0]=4 659 B4R0.2 CCC[Mg]Cl HR101421 [1,0,1,0,0,0|2,0,0]=4 660 B4R0.2 CCNC=O HR104364 [1,0,1,0,0,0|1,0,0]=3 661 B4R0.2 CCNCC HR101857 [1,0,1,0,0,0|1,0,0]=3 662 B4R0.2 CCNCC HR127000 [1,0,1,0,0,0|1,0,0]=3 663 B4R0.2 CCNCC HR132573 [1,0,1,0,0,0|1,0,0]=3 664 B4R0.2 CCOC=N HR105865 [1,0,1,0,0,0|2,0,0]=4 665 B4R0.2 CCPCC HR117135 [1,0,1,0,0,0|1,0,0]=3 666 B4R0.2 CCSCC HR120777 [1,0,1,0,0,0|1,0,0]=3 667 B4R0.2 CCSCC HR127285 [1,0,1,0,0,0|1,0,0]=3 668 B4R0.2 CCSSC HR129263 [1,0,1,0,0,0|2,0,0]=4 669 B4R0.2 CC\C=C\Br HR114361 [1,0,1,0,0,0|1,0,1]=4 670 B4R0.2 CNCCO HR131851 [1,0,1,0,0,0|1,0,1]=4 671 B4R0.2 COCCBr HR2138 [1,0,1,0,0,0|2,0,0]=4 672 B4R0.2 COCCCl HR130902 [1,0,1,0,0,0|2,0,0]=4 673 B4R0.2 COCCN HR101134 [1,0,1,0,0,0|2,0,0]=4 674 B4R0.2 CSCC=O HR129243 [1,0,1,0,0,0|1,0,0]=3 675 B4R0.2 CSCCN HR110636 [1,0,1,0,0,0|2,0,0]=4 676 B4R0.2 CSCCO HR125294 [1,0,1,0,0,0|1,0,1]=4 677 B4R0.2 CSCSC HR125290 [1,0,1,0,0,0|2,0,0]=4 678 B4R0.2 C\C=C\CC HR121335 [1,0,1,0,0,0|0,0,1]=3 679 B4R0.2 C\C=C\CC HR121956 [1,0,1,0,0,0|0,0,1]=3 680 B4R0.2 C\C=C\CCl HR130392 [1,0,1,0,0,0|1,0,1]=4 681 B4R0.2 C\C=C\CN HR109640 [1,0,1,0,0,0|1,0,1]=4 682 B4R0.2 C\C=C\OC HR102446 [1,0,1,0,0,0|1,0,1]=4 683 B4R0.2 FCCCBr HR109590 [1,0,1,0,0,0|2,0,0]=4 684 B4R0.2 ICCCI HR100197 [1,0,1,0,0,0|2,0,0]=4 685 B4R0.2 N#CCC=O HR116464 [1,0,1,0,0,0|1,0,1]=4 686 B4R0.2 NCCCBr CEJL02001 [1,0,1,0,0,0|2,0,0]=4 687 B4R0.2 NCCCBr HR133137 [1,0,1,0,0,0|2,0,0]=4 688 B4R0.2 NCCCCl HR125166 [1,0,1,0,0,0|2,0,0]=4 689 B4R0.2 NCCCN HR147138 [1,0,1,0,0,0|2,0,0]=4 690 B4R0.2 NCCCO HR117078 [1,0,1,0,0,0|1,0,1]=4 691 B4R0.2 OCCCBr HR133755 [1,0,1,0,0,0|1,0,1]=4 692 B4R0.2 OCCCCl HR147346 [1,0,1,0,0,0|1,0,1]=4 693 B4R0.2 OCCCF HR128996 [1,0,1,0,0,0|1,0,1]=4 694 B4R0.2 OCCCI HR117054 [1,0,1,0,0,0|1,0,1]=4 695 B4R0.2 OCCCO HR129726 [1,0,1,0,0,0|1,0,1]=4 696 B4R0.2 OCCCS HR131625 [1,0,1,0,0,0|1,0,1]=4 697 B4R0.2 SCCCBr HR118175 [1,0,1,0,0,0|1,1,0]=4 698 B4R0.2 SCCCS HR124438 [1,0,1,0,0,0|1,1,0]=4 699 B4R0.2 [Li]CCCC HR138942 [1,0,1,0,0,0|1,0,0]=3 700 B6R0.1 C#CC(=O)NCC HR116239 [0,1,1,0,0,0|1,0,1]=4 701 B6R0.1 C#CC(=O)OCC HR132600 [0,1,1,0,0,0|1,0,1]=4 702 B6R0.1 C=CC(=O)CCC HR100488 [0,1,1,0,0,0|0,0,1]=3 703 B6R0.1 CC#CC(=O)OC HR141249 [0,1,1,0,0,0|0,0,2]=4 704 B6R0.1 CCC(=O)CC#N HR104780 [0,1,1,0,0,0|1,0,1]=4 705 B6R0.1 CCC(=O)CSC HR123442 [0,1,1,0,0,0|1,0,0]=3 706 B6R0.1 CCCC(=O)NN HR113429 [0,1,1,0,0,0|1,0,0]=3 707 B6R0.1 CCCC(=O)SC HR136352 [0,1,1,0,0,0|0,0,0]=2 708 B6R0.1 CCCC(=S)OC HR122832 [0,1,1,0,0,0|0,1,0]=3 709 B6R0.1 CCCC(Br)CBr HR132339 [0,1,1,0,0,0|1,0,1]=4 710 B6R0.1 CCCC(Br)CC HR118696 [0,1,1,0,0,0|1,0,1]=4 711 B6R0.1 CCCC(N)CO HR112281 [0,1,1,0,0,0|1,0,1]=4 712 B6R0.1 CCCC(O)CO HR126914 [0,1,1,0,0,0|0,0,2]=4 713 B6R0.1 CCOC(=N)CCl HR112327 [0,1,1,0,0,0|2,0,0]=4 714 B6R0.1 CCOC(=O)C=O HR130872 [0,1,1,0,0,0|1,0,1]=4 715 B6R0.1 CCOC(=O)CBr AMJB00601 [0,1,1,0,0,0|1,0,0]=3 716 B6R0.1 CCOC(=O)CCl HR147617 [0,1,1,0,0,0|1,0,0]=3 717 B6R0.1 CCOC(=O)CN HR134743 [0,1,1,0,0,0|1,0,0]=3 718 B6R0.1 CCOC(=O)CO HR127384 [0,1,1,0,0,0|1,0,0]=3 719 B6R0.1 CCOC(=O)CS HR136673 [0,1,1,0,0,0|1,0,0]=3 720 B6R0.1 CCOC(=O)NN HR102667 [0,1,1,0,0,0|2,0,0]=4 721 B6R0.1 CCOC(=O)NN HR138962 [0,1,1,0,0,0|2,0,0]=4 722 B6R0.1 CCOC(=O)OC HR138173 [0,1,1,0,0,0|1,0,0]=3 723 B6R0.1 CCO\C(C)=N/O SIJL01004 [0,1,1,0,0,0|1,0,1]=4 724 B6R0.1 CCSC(=O)CC HR138214 [0,1,1,0,0,0|1,0,0]=3 725 B6R0.1 CNC(=O)CC#N HR121877 [0,1,1,0,0,0|1,0,1]=4 726 B6R0.1 CNCC(=O)OC HR130436 [0,1,1,0,0,0|1,0,0]=3 727 B6R0.1 COC(=O)CC#N OLSA05202 [0,1,1,0,0,0|1,0,1]=4 728 B6R0.1 COC(=O)CCBr HR133552 [0,1,1,0,0,0|1,0,0]=3 729 B6R0.1 COC(=O)CCN HR135038 [0,1,1,0,0,0|1,0,0]=3 730 B6R0.1 COC(=O)CCS HR133169 [0,1,1,0,0,0|1,0,0]=3 731 B6R0.1 COCC(=O)OC HR147666 [0,1,1,0,0,0|1,0,0]=3 732 B6R0.1 C\C=C\C(=O)CC HR108073 [0,1,1,0,0,0|0,0,2]=4 733 B6R0.1 O=C(CCl)NCO HR124394 [0,1,1,0,0,0|2,0,0]=4 734 B6R0.1 [C-]#[N+]CC(=O)OC HR110956 [0,1,1,0,0,0|1,0,1]=4 735 B6R0.2 CC(=O)CC(=O)[O-] HR126081 [0,1,1,0,0,0|1,0,1]=4 736 B6R0.2 CC(=O)CC(C)=O AVJB01201 [0,1,1,0,0,0|0,0,1]=3 737 B6R0.2 CC(=O)CC(C)=O CUSA07105 [0,1,1,0,0,0|0,0,1]=3 738 B6R0.2 CC(=O)CC(C)=O HR108604 [0,1,1,0,0,0|0,0,1]=3 739 B6R0.2 CC(=O)CC(N)=O HR125580 [0,1,1,0,0,0|1,0,1]=4 740 B6R0.2 CC(=O)NC(C)C ABSA04901 [0,1,1,0,0,0|1,0,0]=3 741 B6R0.2 CC(=O)OC(C)=O NASA01407 [0,1,1,0,0,0|1,0,1]=4 742 B6R0.2 CC(=O)OC(C)Br HR115050 [0,1,1,0,0,0|1,0,0]=3 743 B6R0.2 CC(=O)\C=C(/C)N HR105871 [0,1,1,0,0,0|0,0,2]=4 744 B6R0.2 CC(=O)\C=C(\C)[O-] HR100501 [0,1,1,0,0,0|0,0,2]=4 745 B6R0.2 CC(=O)\C=C(\C)[O-] HR107173 [0,1,1,0,0,0|0,0,2]=4 746 B6R0.2 CC(=O)\C=C(\C)[O-] HR113781 [0,1,1,0,0,0|0,0,2]=4 747 B6R0.2 CC(=O)\C=C(\C)[O-] HR117143 [0,1,1,0,0,0|0,0,2]=4 748 B6R0.2 CC(C)CC(=O)O HR123359 [0,1,1,0,0,0|1,0,0]=3 749 B6R0.2 CC(C)CC(C)N HR121969 [0,1,1,0,0,0|1,0,1]=4 750 B6R0.2 CC(C)CC(N)=O HR109732 [0,1,1,0,0,0|1,0,0]=3 751 B6R0.2 CC(Cl)CN(C)C HR127922 [0,1,1,0,0,0|2,0,0]=4 752 B6R0.2 CC(N)CC(=O)O HR103780 [0,1,1,0,0,0|1,0,0]=3 753 B6R0.2 CC(N)CC(=O)O HR116211 [0,1,1,0,0,0|1,0,0]=3 754 B6R0.2 CC(N)CC(=O)O HR120488 [0,1,1,0,0,0|1,0,0]=3 755 B6R0.2 CC(N)CC(=O)O HR124863 [0,1,1,0,0,0|1,0,0]=3 756 B6R0.2 CC(O)CC(=O)[O-] HR147106 [0,1,1,0,0,0|1,0,0]=3 757 B6R0.2 CN(C)CC(=O)O HR127289 [0,1,1,0,0,0|2,0,0]=4 758 B6R0.2 CN(C)CC(=O)[O-] HR134057 [0,1,1,0,0,0|2,0,0]=4 759 B6R0.2 C[S+](C)CC(=O)[O-] HR107996 [0,1,1,0,0,0|2,0,0]=4 760 B6R0.3 C=C(CC)C(=O)O HR118672 [0,1,1,0,0,0|1,0,1]=4 761 B6R0.3 CC(CN)C(=O)O HR133030 [0,1,1,0,0,0|2,0,0]=4 762 B6R0.3 CCC(=O)C(=O)O HR128819 [0,1,1,0,0,0|1,0,1]=4 763 B6R0.3 CCC(=O)C(C)=O HR131826 [0,1,1,0,0,0|0,0,1]=3 764 B6R0.3 CCC(Br)C(=O)Cl HR115509 [0,1,1,0,0,0|1,0,0]=3 765 B6R0.3 CCC(Br)C(=O)O HR123595 [0,1,1,0,0,0|1,0,0]=3 766 B6R0.3 CCC(C)C(=O)Cl HR144038 [0,1,1,0,0,0|1,0,0]=3 767 B6R0.3 CCC(C)C(=O)O HR124401 [0,1,1,0,0,0|1,0,0]=3 768 B6R0.3 CCC(C)C(=O)O HR124666 [0,1,1,0,0,0|1,0,0]=3 769 B6R0.3 CCC(C)C(N)=O HR115534 [0,1,1,0,0,0|1,0,0]=3 770 B6R0.3 CCC(Cl)C(=O)O HR104193 [0,1,1,0,0,0|1,0,0]=3 771 B6R0.3 CCC(Cl)C(=O)O HR104505 [0,1,1,0,0,0|1,0,0]=3 772 B6R0.3 CCC(N)C(=O)O HR100731 [0,1,1,0,0,0|1,0,0]=3 773 B6R0.3 CCC(N)C(=O)O HR128531 [0,1,1,0,0,0|1,0,0]=3 774 B6R0.3 CCC(N)C(=O)O HR128797 [0,1,1,0,0,0|1,0,0]=3 775 B6R0.3 CCC(N)C(=O)O HR130831 [0,1,1,0,0,0|1,0,0]=3 776 B6R0.3 CCC(N)C(=O)O VOJL00901 [0,1,1,0,0,0|1,0,0]=3 777 B6R0.3 CCC(N)C(N)=O HR113889 [0,1,1,0,0,0|1,0,0]=3 778 B6R0.3 CCC(N)C(N)=O HR133280 [0,1,1,0,0,0|1,0,0]=3 779 B6R0.3 CCC(O)C(=O)O HR145745 [0,1,1,0,0,0|1,0,0]=3 780 B6R0.3 CCC(O)C(=O)O HR8265 [0,1,1,0,0,0|1,0,0]=3 781 B6R0.3 CCC(S)C(C)=O HR124234 [0,1,1,0,0,0|0,0,0]=2 782 B6R0.3 CCN(C)C(=O)Cl HR16066 [0,1,1,0,0,0|2,0,0]=4 783 B6R0.3 CNC(C)C(=O)O HR126490 [0,1,1,0,0,0|2,0,0]=4 784 B6R0.3 CNC(C)C(=O)O HR131233 [0,1,1,0,0,0|2,0,0]=4 785 B6R0.3 CNC(C)C(=O)O HR138734 [0,1,1,0,0,0|2,0,0]=4 786 B6R0.3 CNC(C)C(=O)[O-] HR145674 [0,1,1,0,0,0|2,0,0]=4 787 B6R0.3 COC(=O)C(C)=O HR131015 [0,1,1,0,0,0|1,0,1]=4 788 B6R0.3 CON(C)C(C)=O HR136259 [0,1,1,0,0,0|2,0,0]=4 789 B6R0.3 CSC(C)C(C)=O HR133684 [0,1,1,0,0,0|1,0,0]=3 790 B6R0.3 NC(=O)C(Br)CBr HR125555 [0,1,1,0,0,0|2,0,0]=4 791 B6R0.3 NC(=O)C(N)CO HR115072 [0,1,1,0,0,0|2,0,0]=4 792 B6R0.3 NC(CO)C(=O)O HR10704 [0,1,1,0,0,0|2,0,0]=4 793 B6R0.3 NC(CO)C(=O)O HR11003 [0,1,1,0,0,0|2,0,0]=4 794 B6R0.3 NC(CO)C(=O)O HR136009 [0,1,1,0,0,0|2,0,0]=4 795 B6R0.3 NC(CS)C(=O)O HR125082 [0,1,1,0,0,0|2,0,0]=4 796 B6R0.3 NC(CS)C(=O)O HR125295 [0,1,1,0,0,0|2,0,0]=4 797 B6R0.3 NC(CS)C(=O)O HR125344 [0,1,1,0,0,0|2,0,0]=4 798 B6R0.3 NC(CS)C(=O)O HR129167 [0,1,1,0,0,0|2,0,0]=4 799 B6R0.3 NC(CS)C(=O)O HR129315 [0,1,1,0,0,0|2,0,0]=4 800 B6R0.3 NC(CS)C(=O)O HR129684 [0,1,1,0,0,0|2,0,0]=4 801 B6R0.3 NC(CS)C(=O)O HR135781 [0,1,1,0,0,0|2,0,0]=4 802 B6R0.3 NC(CS)C(=O)O HR136316 [0,1,1,0,0,0|2,0,0]=4 803 B6R0.3 NC(C[SeH])C(=O)O HR101211 [0,1,1,0,0,0|2,0,0]=4 804 B6R0.3 NCC(N)C(=O)O HR101827 [0,1,1,0,0,0|2,0,0]=4 805 B6R0.3 NCC(N)C(=O)O HR120379 [0,1,1,0,0,0|2,0,0]=4 806 B6R0.3 NCC(N)C(=O)O HR130162 [0,1,1,0,0,0|2,0,0]=4 807 B6R0.3 NCC(N)C(=O)O HR137268 [0,1,1,0,0,0|2,0,0]=4 808 B6R0.3 NCC(O)C(=O)O HR126827 [0,1,1,0,0,0|2,0,0]=4 809 B6R0.3 NCC(O)C(=O)O HR145757 [0,1,1,0,0,0|2,0,0]=4 810 B6R0.3 NCC(O)C(=O)O HR145758 [0,1,1,0,0,0|2,0,0]=4 811 B6R0.3 O=C(Cl)C(Br)CBr HR128333 [0,1,1,0,0,0|2,0,0]=4 812 B6R0.3 O=C(O)C(Br)CBr HR128067 [0,1,1,0,0,0|2,0,0]=4 813 B6R0.3 O=C(O)C(Br)CO HR121810 [0,1,1,0,0,0|2,0,0]=4 814 B6R0.3 O=C(O)C(Cl)CCl HR102337 [0,1,1,0,0,0|2,0,0]=4 815 B6R0.4 C#CCCC(=O)O HR101408 [0,1,1,0,0,0|1,0,1]=4 816 B6R0.4 C=C(C)CNCC HR128262 [0,1,1,0,0,0|1,0,0]=3 817 B6R0.4 C=CCCC(=O)Cl HR106043 [0,1,1,0,0,0|1,0,1]=4 818 B6R0.4 C=CCCC(=O)O HR128583 [0,1,1,0,0,0|1,0,1]=4 819 B6R0.4 CC(=O)CCCBr HR147487 [0,1,1,0,0,0|0,0,0]=2 820 B6R0.4 CC(=O)CCCCl HR100024 [0,1,1,0,0,0|0,0,0]=2 821 B6R0.4 CC(=O)CCCO HR136959 [0,1,1,0,0,0|0,0,0]=2 822 B6R0.4 CC(=O)NCCN HR128075 [0,1,1,0,0,0|1,0,0]=3 823 B6R0.4 CC(=O)NCCO HR100613 [0,1,1,0,0,0|1,0,0]=3 824 B6R0.4 CC(=O)OCCBr HR131354 [0,1,1,0,0,0|1,0,0]=3 825 B6R0.4 CC(Br)CCCBr HR123815 [0,1,1,0,0,0|1,0,1]=4 826 B6R0.4 CC(C)CCCBr HR133659 [0,1,1,0,0,0|1,0,1]=4 827 B6R0.4 CC(O)CCCO HR139458 [0,1,1,0,0,0|0,0,2]=4 828 B6R0.4 CCCCC(=O)Cl HR147689 [0,1,1,0,0,0|1,0,0]=3 829 B6R0.4 CCCCC(=O)[O-] HR143929 [0,1,1,0,0,0|1,0,0]=3 830 B6R0.4 CCCCC(C)N HR107080 [0,1,1,0,0,0|1,0,1]=4 831 B6R0.4 CCCCC(C)O HR113264 [0,1,1,0,0,0|0,0,2]=4 832 B6R0.4 CCCCC(C)O HR141634 [0,1,1,0,0,0|0,0,2]=4 833 B6R0.4 CCCCC(N)=O HR110039 [0,1,1,0,0,0|1,0,0]=3 834 B6R0.4 CCCCN(C)C HR124181 [0,1,1,0,0,0|2,0,0]=4 835 B6R0.4 CCCC[Sn](=O)O HR135371 [0,1,1,0,0,0|2,0,0]=4 836 B6R0.4 CCCNC(N)=S HR109524 [0,1,1,0,0,0|1,1,0]=4 837 B6R0.4 CCCSC(C)=O HR137881 [0,1,1,0,0,0|0,0,0]=2 838 B6R0.4 CCNCC(=O)O HR105131 [0,1,1,0,0,0|1,0,0]=3 839 B6R0.4 CCOCC(=O)O HR123178 [0,1,1,0,0,0|1,0,0]=3 840 B6R0.4 CN(C)CCCBr HR107607 [0,1,1,0,0,0|2,0,0]=4 841 B6R0.4 CN(C)CCCBr HR147342 [0,1,1,0,0,0|2,0,0]=4 842 B6R0.4 CN(C)CCCCl HR109407 [0,1,1,0,0,0|2,0,0]=4 843 B6R0.4 CN(C)CCCCl HR137097 [0,1,1,0,0,0|2,0,0]=4 844 B6R0.4 CN(C)CCCS HR107362 [0,1,1,0,0,0|2,0,0]=4 845 B6R0.4 CNCCC(=O)O HR100194 [0,1,1,0,0,0|1,0,0]=3 846 B6R0.4 COCCC(C)O HR129774 [0,1,1,0,0,0|0,0,2]=4 847 B6R0.4 CO\C=C\C(C)=O HR138997 [0,1,1,0,0,0|0,0,2]=4 848 B6R0.4 CSCCC(C)=O HR133952 [0,1,1,0,0,0|0,0,0]=2 849 B6R0.4 N#CCCC(=O)O HR103469 [0,1,1,0,0,0|1,0,1]=4 850 B6R0.4 NCCCC(=O)O HR130958 [0,1,1,0,0,0|1,0,0]=3 851 B6R0.4 O=C(Cl)CCCBr HR102428 [0,1,1,0,0,0|1,0,0]=3 852 B6R0.4 O=C(Cl)CCCCl HR129406 [0,1,1,0,0,0|1,0,0]=3 853 B6R0.4 O=C(Cl)OCCCl HR132842 [0,1,1,0,0,0|2,0,0]=4 854 B6R0.4 O=C(Cl)OCCCl HR17418 [0,1,1,0,0,0|2,0,0]=4 855 B6R0.4 O=C(O)CCCBr HR131673 [0,1,1,0,0,0|1,0,0]=3 856 B6R0.4 O=C(O)CCCCl HR120152 [0,1,1,0,0,0|1,0,0]=3 857 B6R0.4 O=CCCC(=O)O HR134907 [0,1,1,0,0,0|1,0,1]=4 858 B6R0.5 CCCS(=O)(=O)Cl HR129518 [0,1,1,0,0,0|2,0,0]=4 859 B6R0.5 CCCS(=O)(=O)O HR120663 [0,1,1,0,0,0|2,0,0]=4 860 B6R0.5 CCCS(N)(=O)=O HR138225 [0,1,1,0,0,0|2,0,0]=4 861 B6R0.5 CCC[Si](C)(C)Cl HR107165 [0,1,1,0,0,0|1,1,0]=4 862 B6R0.5 CCOS(C)(=O)=O HR131022 [0,1,1,0,0,0|2,0,0]=4 863 B6R0.5 CS(=O)(=O)CCN HR129630 [0,1,1,0,0,0|2,0,0]=4 864 B6R0.5 CS(=O)(=O)CCN HR129894 [0,1,1,0,0,0|2,0,0]=4 865 B6R0.5 CS(=O)(=O)CCO HR132598 [0,1,1,0,0,0|2,0,0]=4 866 B6R0.6 BrCCCCCBr BEJL02301 [0,1,1,0,0,0|1,0,1]=4 867 B6R0.6 C#CCCCC=O VIJL03309 [0,1,1,0,0,0|0,0,1]=3 868 B6R0.6 C#CCCCCO HR141440 [0,1,1,0,0,0|1,0,1]=4 869 B6R0.6 C=CCCCC#N HR140662 [0,1,1,0,0,0|1,0,1]=4 870 B6R0.6 C=CCCCCBr HR137464 [0,1,1,0,0,0|1,0,0]=3 871 B6R0.6 C=CCCCCCl HR113553 [0,1,1,0,0,0|1,0,0]=3 872 B6R0.6 C=CCCCCN HR143196 [0,1,1,0,0,0|1,0,0]=3 873 B6R0.6 C=CCCCCO HR120838 [0,1,1,0,0,0|1,0,0]=3 874 B6R0.6 C=CCOCCO HR133981 [0,1,1,0,0,0|2,0,0]=4 875 B6R0.6 C=CCSCCC HR130566 [0,1,1,0,0,0|1,0,0]=3 876 B6R0.6 C=CCSSCC HR131362 [0,1,1,0,0,0|2,0,0]=4 877 B6R0.6 C=COCCCC PAJB01004 [0,1,1,0,0,0|1,0,0]=3 878 B6R0.6 CCCCCCI HR101787 [0,1,1,0,0,0|1,0,1]=4 879 B6R0.6 CCCCCCO HR108609 [0,1,1,0,0,0|0,0,2]=4 880 B6R0.6 CCCCCCO HR127298 [0,1,1,0,0,0|0,0,2]=4 881 B6R0.6 CCCCCC[SiH3] HR107072 [0,1,1,0,0,0|1,0,1]=4 882 B6R0.6 CCCCCNC HR128731 [0,1,1,0,0,0|1,0,1]=4 883 B6R0.6 CCCCC[Mg]Br HR116206 [0,1,1,0,0,0|1,0,1]=4 884 B6R0.6 CCCCC[Mg]Cl HR115571 [0,1,1,0,0,0|1,0,1]=4 885 B6R0.6 CCCCN=C=S HR144405 [0,1,1,0,0,0|0,1,1]=4 886 B6R0.6 CCCCNCC HR125662 [0,1,1,0,0,0|1,0,1]=4 887 B6R0.6 CCCCOCCl HR132357 [0,1,1,0,0,0|1,0,1]=4 888 B6R0.6 CCCCSC#N HR137924 [0,1,1,0,0,0|1,0,1]=4 889 B6R0.6 CCCCS[SnH]=O HR100704 [0,1,1,0,0,0|1,0,0]=3 890 B6R0.6 CCCC[Mg]CC HR115887 [0,1,1,0,0,0|1,0,1]=4 891 B6R0.6 CCCOCCCl HR126380 [0,1,1,0,0,0|1,0,1]=4 892 B6R0.6 CCCOCCO HR123698 [0,1,1,0,0,0|0,0,2]=4 893 B6R0.6 CCC\C=C\C=O HR127670 [0,1,1,0,0,0|0,0,1]=3 894 B6R0.6 CCC\C=C\CO HR127397 [0,1,1,0,0,0|0,0,2]=4 895 B6R0.6 CCNCCCN HR100502 [0,1,1,0,0,0|1,0,1]=4 896 B6R0.6 CCOCCC#N HR132950 [0,1,1,0,0,0|1,0,1]=4 897 B6R0.6 CCOCCCCl HR124824 [0,1,1,0,0,0|1,0,1]=4 898 B6R0.6 CCOCCCN HR100101 [0,1,1,0,0,0|1,0,1]=4 899 B6R0.6 CCOCCCO HR128209 [0,1,1,0,0,0|0,0,2]=4 900 B6R0.6 CNCCCNC HR133916 [0,1,1,0,0,0|2,0,0]=4 901 B6R0.6 COCCCCBr HR131929 [0,1,1,0,0,0|1,0,1]=4 902 B6R0.6 COCCCCCl HR130420 [0,1,1,0,0,0|1,0,1]=4 903 B6R0.6 COCCCCN HR141637 [0,1,1,0,0,0|1,0,1]=4 904 B6R0.6 COCCCCO HR129257 [0,1,1,0,0,0|0,0,2]=4 905 B6R0.6 COCCCOC HR127938 [0,1,1,0,0,0|2,0,0]=4 906 B6R0.6 C\C=C\CCCC HR145495 [0,1,1,0,0,0|1,0,0]=3 907 B6R0.6 C\C=C\CCCO HR110400 [0,1,1,0,0,0|1,0,1]=4 908 B6R0.6 C\C=C\CCCO HR111291 [0,1,1,0,0,0|1,0,1]=4 909 B6R0.6 ClCCCCCBr HR125269 [0,1,1,0,0,0|1,0,1]=4 910 B6R0.6 FCCCCCBr HR120213 [0,1,1,0,0,0|1,0,1]=4 911 B6R0.6 N#CCCCCBr HR114079 [0,1,1,0,0,0|1,0,1]=4 912 B6R0.6 N#CCCCCCl HR122521 [0,1,1,0,0,0|1,0,1]=4 913 B6R0.6 NCCCCCN HR146969 [0,1,1,0,0,0|1,0,1]=4 914 B6R0.6 NCCCCCO HR139094 [0,1,1,0,0,0|0,0,2]=4 915 B6R0.6 O=C=NCCCCl HR108117 [0,1,1,0,0,0|1,0,1]=4 916 B6R0.6 O=CCCCC=O HR141217 [0,1,1,0,0,0|0,0,1]=3 917 B6R0.6 O=CCCCCCl HR119509 [0,1,1,0,0,0|0,0,0]=2 918 B6R0.6 O=CCCCCO HR116282 [0,1,1,0,0,0|0,0,0]=2 919 B6R0.6 O=CCOCCO HR117228 [0,1,1,0,0,0|1,0,0]=3 920 B6R0.6 OCCCCCBr HR102868 [0,1,1,0,0,0|0,0,2]=4 921 B6R0.6 OCCCCCCl HR134047 [0,1,1,0,0,0|0,0,2]=4 922 B6R0.6 OCCCCCO HR136505 [0,1,1,0,0,0|0,0,2]=4 923 B6R0.6 SCCCCCS HR128025 [0,1,1,0,0,0|0,1,1]=4 924 B6R0.6 [Li]CCCCCC HR142102 [0,1,1,0,0,0|1,0,1]=4 925 B6R0.8 CCC(C)(Br)CC HR104776 [0,1,1,0,0,0|1,0,1]=4 926 B6R0.8 CCP(=O)([O-])CC HR112871 [0,1,1,0,0,0|1,0,0]=3 927 B6R0.8 CCP(=O)([O-])CC HR113183 [0,1,1,0,0,0|1,0,0]=3 928 B6R0.8 CCS(=O)(=O)OC HR136541 [0,1,1,0,0,0|2,0,0]=4 929 B6R0.8 CC[Si](O)(O)CC HR105094 [0,1,1,0,0,0|0,1,1]=4 930 B6R0.9 CCB(CC)CC HR101286 [0,1,1,0,0,0|2,0,0]=4 931 B6R0.9 CCB(CC)OC HR134323 [0,1,1,0,0,0|1,0,1]=4 932 B6R0.9 CCC(CC)CBr DAJL01402 [0,1,1,0,0,0|1,0,1]=4 933 B6R0.9 CCC(CC)NC HR112023 [0,1,1,0,0,0|1,0,1]=4 934 B6R0.9 CCN(C=O)CC HR124940 [0,1,1,0,0,0|1,0,0]=3 935 B6R0.9 CCN(CC)CC HR131175 [0,1,1,0,0,0|2,0,0]=4 936 B6R0.9 CCN(CC)CC HR131852 [0,1,1,0,0,0|2,0,0]=4 937 B6R0.9 CCP(CC)CC HR110937 [0,1,1,0,0,0|2,0,0]=4 938 B6R0.9 CC[BH-](CC)CC HR133075 [0,1,1,0,0,0|2,0,0]=4 939 B6R0.9 CC[BH-](CC)CC HR144129 [0,1,1,0,0,0|2,0,0]=4 940 B6R0.9 CC[Ga](CC)CC HR135317 [0,1,1,0,0,0|2,0,0]=4 941 B6R0.9 CC[O+](CC)CC HR106508 [0,1,1,0,0,0|2,0,0]=4 942 B6R0.9 CC[SiH](CC)CC HR130492 [0,1,1,0,0,0|1,1,0]=4 943 B6R1.5 CC1CC(=O)C1 HR121137 [0,1,0,0,1,0|0,0,0]=2 944 B6R1.5 CC1CC(N)C1 HR108536 [0,1,0,0,1,0|1,0,1]=4 945 B6R1.5 NC1CC(=O)C1 HR145979 [0,1,0,0,1,0|0,0,0]=2 946 B6R1.5 NC1CC(N)C1 HR107909 [0,1,0,0,1,0|1,0,1]=4 947 B6R1.5 O=C1CC(Br)C1 HR120509 [0,1,0,0,1,0|0,0,0]=2 948 B6R1.5 O=C1CC(O)C1 HR119245 [0,1,0,0,1,0|0,0,0]=2 949 B6R1.6 BrCC1CCC1 HR23272 [0,1,0,0,1,0|1,0,1]=4 950 B6R1.6 ICC1CCC1 HR122084 [0,1,0,0,1,0|1,0,1]=4 951 B6R1.6 N#CC1CCC1 HR112436 [0,1,0,0,1,0|1,0,1]=4 952 B6R1.6 NCC1CCC1 HR100695 [0,1,0,0,1,0|1,0,1]=4 953 B6R1.6 NCC1CCC1 HR102822 [0,1,0,0,1,0|1,0,1]=4 954 B6R1.6 NNC1CCC1 HR103247 [0,1,0,0,1,0|1,0,1]=4 955 B6R1.6 NNC1CCC1 HR146851 [0,1,0,0,1,0|1,0,1]=4 956 B6R1.6 O=CC1CCC1 HR128795 [0,1,0,0,1,0|0,0,1]=3 957 B6R1.6 OCC1CCC1 HR133510 [0,1,0,0,1,0|0,0,2]=4 958 B6R1.10 Cl[Si]1(Cl)CCC1 HR120789 [0,1,0,0,1,0|1,1,0]=4 959 B8R1.2 BrCC1CCCCC1 EMSA06908 [0,1,0,0,0,1|1,0,1]=4 960 B8R1.2 BrCC1CCCOC1 HR115291 [0,1,0,0,0,1|1,0,1]=4 961 B8R1.2 BrCC1CCNCC1 HR149183 [0,1,0,0,0,1|1,0,1]=4 962 B8R1.2 BrCC1CCOCC1 HR129098 [0,1,0,0,0,1|1,0,1]=4 963 B8R1.2 Br[Mg]C1CCCCC1 HR107341 [0,1,0,0,0,1|1,0,1]=4 964 B8R1.2 C#CC1CCCCC1 HR120227 [0,1,0,0,0,1|1,0,1]=4 965 B8R1.2 C#CC1CCCCN1 HR117402 [0,1,0,0,0,1|1,0,1]=4 966 B8R1.2 C#CC1CCCNC1 HR116876 [0,1,0,0,0,1|1,0,1]=4 967 B8R1.2 C=CC1CCCCC1 HR131133 [0,1,0,0,0,1|1,0,1]=4 968 B8R1.2 CCC1CCCCN1 HR101681 [0,1,0,0,0,1|1,0,1]=4 969 B8R1.2 CCC1CCCCN1 HR145962 [0,1,0,0,0,1|1,0,1]=4 970 B8R1.2 CCC1CCCCN1 HR145963 [0,1,0,0,0,1|1,0,1]=4 971 B8R1.2 CCC1CCNCC1 HR101692 [0,1,0,0,0,1|1,0,1]=4 972 B8R1.2 CCN1CCNCC1 HR8562 [0,1,0,0,0,1|2,0,0]=4 973 B8R1.2 CNC1CCCCC1 HR127852 [0,1,0,0,0,1|1,0,1]=4 974 B8R1.2 CNC1CCCNC1 HR134269 [0,1,0,0,0,1|1,0,1]=4 975 B8R1.2 CNC1CCOCC1 HR30275 [0,1,0,0,0,1|1,0,1]=4 976 B8R1.2 COC1=CCCCC1 HR108356 [0,1,0,0,0,1|0,0,1]=3 977 B8R1.2 COC1=CCOCC1 HR148879 [0,1,0,0,0,1|0,0,2]=4 978 B8R1.2 COC1=NCCCC1 HR140176 [0,1,0,0,0,1|0,0,1]=3 979 B8R1.2 COC1CCNCC1 HR124062 [0,1,0,0,0,1|0,0,2]=4 980 B8R1.2 FCC1CCCNC1 HR151273 [0,1,0,0,0,1|1,0,1]=4 981 B8R1.2 FCC1CCNCC1 HR151179 [0,1,0,0,0,1|1,0,1]=4 982 B8R1.2 ICC1CCOCC1 HR116556 [0,1,0,0,0,1|1,0,1]=4 983 B8R1.2 N#CC1=CCCCO1 HR120057 [0,1,0,0,0,1|1,0,1]=4 984 B8R1.2 N#CC1CCCCC1 DAJL01408 [0,1,0,0,0,1|1,0,1]=4 985 B8R1.2 N#CC1CCCCN1 HR112500 [0,1,0,0,0,1|1,0,1]=4 986 B8R1.2 N#CC1CCCNC1 HR112815 [0,1,0,0,0,1|1,0,1]=4 987 B8R1.2 N#CC1CCNCC1 HR100049 [0,1,0,0,0,1|1,0,1]=4 988 B8R1.2 N#CC1CCNCC1 HR126414 [0,1,0,0,0,1|1,0,1]=4 989 B8R1.2 N#CC1CCOCC1 HR116877 [0,1,0,0,0,1|1,0,1]=4 990 B8R1.2 NCC1CCCCC1 HR20540 [0,1,0,0,0,1|1,0,1]=4 991 B8R1.2 NCC1CCCCN1 HR129658 [0,1,0,0,0,1|1,0,1]=4 992 B8R1.2 NCC1CCCCO1 HR109315 [0,1,0,0,0,1|1,0,1]=4 993 B8R1.2 NCC1CCCNC1 HR125716 [0,1,0,0,0,1|1,0,1]=4 994 B8R1.2 NCC1CCCOC1 HR114654 [0,1,0,0,0,1|1,0,1]=4 995 B8R1.2 NCC1CCCOC1 HR145987 [0,1,0,0,0,1|1,0,1]=4 996 B8R1.2 NCC1CCNCC1 IBCQ00407 [0,1,0,0,0,1|1,0,1]=4 997 B8R1.2 NCC1CCOCC1 HR133329 [0,1,0,0,0,1|1,0,1]=4 998 B8R1.2 NNC1CCCCC1 HR32400 [0,1,0,0,0,1|1,0,1]=4 999 B8R1.2 NNC1CCCCC1 HR32401 [0,1,0,0,0,1|1,0,1]=4 1000 B8R1.2 NNC1CCOCC1 HR109284 [0,1,0,0,0,1|1,0,1]=4 1001 B8R1.2 NNC1CCOCC1 HR30225 [0,1,0,0,0,1|1,0,1]=4 1002 B8R1.2 NOC1CCCCO1 HR123792 [0,1,0,0,0,1|0,0,2]=4 1003 B8R1.2 O=CC1=CCCCC1 HR124654 [0,1,0,0,0,1|0,0,0]=2 1004 B8R1.2 O=CC1=CCCOC1 HR106218 [0,1,0,0,0,1|0,0,1]=3 1005 B8R1.2 O=CC1CCCCC1 HR3082 [0,1,0,0,0,1|0,0,1]=3 1006 B8R1.2 O=CC1CCCOC1 HR31996 [0,1,0,0,0,1|0,0,1]=3 1007 B8R1.2 O=CC1CCNCC1 HR114883 [0,1,0,0,0,1|0,0,1]=3 1008 B8R1.2 O=CC1CCOCC1 IBCQ00409 [0,1,0,0,0,1|0,0,1]=3 1009 B8R1.2 O=CC1CNCCN1 HR112721 [0,1,0,0,0,1|1,0,1]=4 1010 B8R1.2 O=CN1CCCCC1 HR135142 [0,1,0,0,0,1|1,0,0]=3 1011 B8R1.2 O=CN1CCNCC1 HR106743 [0,1,0,0,0,1|1,0,0]=3 1012 B8R1.2 O=CN1CCOCC1 HR124705 [0,1,0,0,0,1|1,0,0]=3 1013 B8R1.2 OCC1CCCCC1 HR3098 [0,1,0,0,0,1|0,0,2]=4 1014 B8R1.2 OCC1CCCCN1 HR129497 [0,1,0,0,0,1|0,0,2]=4 1015 B8R1.2 OCC1CCCCN1 HR150905 [0,1,0,0,0,1|0,0,2]=4 1016 B8R1.2 OCC1CCCCN1 HR150906 [0,1,0,0,0,1|0,0,2]=4 1017 B8R1.2 OCC1CCCCO1 HR9734 [0,1,0,0,0,1|0,0,2]=4 1018 B8R1.2 OCC1CCCNC1 HR118055 [0,1,0,0,0,1|0,0,2]=4 1019 B8R1.2 OCC1CCCNC1 HR118365 [0,1,0,0,0,1|0,0,2]=4 1020 B8R1.2 OCC1CCCNC1 HR125284 [0,1,0,0,0,1|0,0,2]=4 1021 B8R1.2 OCC1CCCOC1 HR112012 [0,1,0,0,0,1|0,0,2]=4 1022 B8R1.2 OCC1CCNCC1 HR130018 [0,1,0,0,0,1|0,0,2]=4 1023 B8R1.2 OCC1CCOCC1 HR131711 [0,1,0,0,0,1|0,0,2]=4 1024 B8R1.2 ON=C1CCCCC1 HR136101 [0,1,0,0,0,1|0,0,1]=3 1025 B8R1.3 C=C1CCN(C)CC1 HR107962 [0,1,0,0,0,1|1,0,0]=3 1026 B8R1.3 CC1=CCC(=O)CC1 HR105835 [0,1,0,0,0,1|0,0,1]=3 1027 B8R1.3 CC1=NNC(=O)CC1 HR117768 [0,1,0,0,0,1|1,0,1]=4 1028 B8R1.3 CC1CCC(=O)CC1 HR123899 [0,1,0,0,0,1|0,0,0]=2 1029 B8R1.3 CC1CCC(C)NC1 HR149823 [0,1,0,0,0,1|1,0,1]=4 1030 B8R1.3 CC1CCC(N)CC1 HR127535 [0,1,0,0,0,1|1,0,1]=4 1031 B8R1.3 CC1CCC(N)CC1 HR129524 [0,1,0,0,0,1|1,0,1]=4 1032 B8R1.3 CC1CCC(O)CC1 HR102432 [0,1,0,0,0,1|0,0,2]=4 1033 B8R1.3 CC1CCC(O)CC1 HR142762 [0,1,0,0,0,1|0,0,2]=4 1034 B8R1.3 CC1CNC(=O)CO1 HR148882 [0,1,0,0,0,1|1,0,0]=3 1035 B8R1.3 CN1CCC(=O)CC1 HR128468 [0,1,0,0,0,1|0,0,0]=2 1036 B8R1.3 CN1CCC(Br)CC1 HR146350 [0,1,0,0,0,1|1,0,1]=4 1037 B8R1.3 CN1CCC(Cl)CC1 HR126246 [0,1,0,0,0,1|1,0,1]=4 1038 B8R1.3 CN1CCC(Cl)CC1 HR129631 [0,1,0,0,0,1|1,0,1]=4 1039 B8R1.3 CN1CCC(N)CC1 HR129041 [0,1,0,0,0,1|1,0,1]=4 1040 B8R1.3 CN1CCC(O)CC1 HR123786 [0,1,0,0,0,1|0,0,2]=4 1041 B8R1.3 CN1CCC(O)CC1 HR129386 [0,1,0,0,0,1|0,0,2]=4 1042 B8R1.3 CN1CCN(N)CC1 HR131755 [0,1,0,0,0,1|2,0,0]=4 1043 B8R1.3 NC1CCC(=O)CC1 HR108450 [0,1,0,0,0,1|0,0,0]=2 1044 B8R1.3 NC1CCC(=O)NC1 HR114241 [0,1,0,0,0,1|0,0,0]=2 1045 B8R1.3 NC1CCC(N)CC1 HR128257 [0,1,0,0,0,1|1,0,1]=4 1046 B8R1.3 NC1CCC(N)CC1 HR139185 [0,1,0,0,0,1|1,0,1]=4 1047 B8R1.3 NC1CCC(N)CC1 HR139276 [0,1,0,0,0,1|1,0,1]=4 1048 B8R1.3 NC1CCC(O)CC1 HR106375 [0,1,0,0,0,1|0,0,2]=4 1049 B8R1.3 NC1CCC(O)CC1 HR108164 [0,1,0,0,0,1|0,0,2]=4 1050 B8R1.3 NC1CCC(O)CC1 HR111079 [0,1,0,0,0,1|0,0,2]=4 1051 B8R1.3 NC1CCC(O)CC1 HR146550 [0,1,0,0,0,1|0,0,2]=4 1052 B8R1.3 NC1CCC(O)CC1 VOJL00905 [0,1,0,0,0,1|0,0,2]=4 1053 B8R1.3 NN1CCC(O)CC1 HR113294 [0,1,0,0,0,1|0,0,2]=4 1054 B8R1.3 O=C1CCC(=O)CC1 HR123033 [0,1,0,0,0,1|0,0,0]=2 1055 B8R1.3 O=C1CCC(=O)NC1 HR110594 [0,1,0,0,0,1|0,0,1]=3 1056 B8R1.3 O=C1CCC(O)CC1 HR132671 [0,1,0,0,0,1|0,0,0]=2 1057 B8R1.3 O=C1CCC(O)CN1 HR104378 [0,1,0,0,0,1|0,0,0]=2 1058 B8R1.3 O=C1CNC(=O)CN1 HR134014 [0,1,0,0,0,1|1,0,1]=4 1059 B8R1.3 OC1CCC(Cl)CC1 HR140569 [0,1,0,0,0,1|0,0,2]=4 1060 B8R1.3 OC1CCC(O)CC1 HR124198 [0,1,0,0,0,1|0,0,2]=4 1061 B8R1.3 OC1CCC(O)CC1 HR143769 [0,1,0,0,0,1|0,0,2]=4 1062 B8R1.3 [B-][O+]1CCN(C)CC1 HR112526 [0,1,0,0,0,1|2,0,0]=4 1063 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,1,0,0,0,1|0,0,1]=3 1064 B8R1.4 CC1CC(=O)CCN1 HR120677 [0,1,0,0,0,1|0,0,0]=2 1065 B8R1.4 CC1CC(=O)CCN1 HR140081 [0,1,0,0,0,1|0,0,0]=2 1066 B8R1.4 CC1CC(O)CCO1 HR120725 [0,1,0,0,0,1|0,0,2]=4 1067 B8R1.4 CC1CC(O)CCO1 HR121039 [0,1,0,0,0,1|0,0,2]=4 1068 B8R1.4 CC1CCCC(=O)C1 HR143817 [0,1,0,0,0,1|0,0,0]=2 1069 B8R1.4 CC1CCCC(C)C1 HR101015 [0,1,0,0,0,1|1,0,1]=4 1070 B8R1.4 CC1CCCC(C)N1 HR120277 [0,1,0,0,0,1|1,0,1]=4 1071 B8R1.4 CC1CCCC(C)N1 HR140810 [0,1,0,0,0,1|1,0,1]=4 1072 B8R1.4 CC1CCCC(N)C1 HR115864 [0,1,0,0,0,1|1,0,1]=4 1073 B8R1.4 CC1CCNC(C)C1 HR147221 [0,1,0,0,0,1|1,0,1]=4 1074 B8R1.4 CC1CNCC(C)C1 HR135144 [0,1,0,0,0,1|1,0,1]=4 1075 B8R1.4 CN1CCC=C(Br)C1 HR149222 [0,1,0,0,0,1|1,0,1]=4 1076 B8R1.4 CN1CCCC(=O)C1 HR120165 [0,1,0,0,0,1|0,0,0]=2 1077 B8R1.4 CN1CCCC(N)C1 HR114038 [0,1,0,0,0,1|1,0,1]=4 1078 B8R1.4 CN1CCCC(N)C1 HR119195 [0,1,0,0,0,1|1,0,1]=4 1079 B8R1.4 CN1CCCC(N)C1 HR146131 [0,1,0,0,0,1|1,0,1]=4 1080 B8R1.4 CN1CCCC(O)C1 HR119067 [0,1,0,0,0,1|0,0,2]=4 1081 B8R1.4 CN1CCNC(=O)C1 HR119613 [0,1,0,0,0,1|1,0,0]=3 1082 B8R1.4 NC1=CC(=O)CCC1 HR114131 [0,1,0,0,0,1|0,0,1]=3 1083 B8R1.4 NC1CCCC(N)C1 HR146008 [0,1,0,0,0,1|1,0,1]=4 1084 B8R1.4 NC1CCCC(O)C1 HR12673 [0,1,0,0,0,1|0,0,2]=4 1085 B8R1.4 NC1CCNC(=O)C1 HR107374 [0,1,0,0,0,1|0,0,0]=2 1086 B8R1.4 NC1CCNC(=O)C1 HR113606 [0,1,0,0,0,1|0,0,0]=2 1087 B8R1.4 NN1CCCC(F)C1 HR149279 [0,1,0,0,0,1|1,0,1]=4 1088 B8R1.4 O=C1CC(O)CCN1 HR110819 [0,1,0,0,0,1|0,0,0]=2 1089 B8R1.4 O=C1CCCC(=O)C1 HR129932 [0,1,0,0,0,1|0,0,0]=2 1090 B8R1.4 O=C1CCCC(=O)N1 HR139848 [0,1,0,0,0,1|0,0,1]=3 1091 B8R1.4 O=C1CCCC(=O)O1 ZOCQ02609 [0,1,0,0,0,1|0,0,1]=3 1092 B8R1.4 O=C1CCNC(=O)C1 HR127778 [0,1,0,0,0,1|0,0,1]=3 1093 B8R1.4 O=C1CCNC(=O)N1 HR117246 [0,1,0,0,0,1|1,0,1]=4 1094 B8R1.4 O=C1CNCC(=O)N1 HR106334 [0,1,0,0,0,1|1,0,1]=4 1095 B8R1.4 O=C1COCC(=O)C1 HR103955 [0,1,0,0,0,1|0,0,1]=3 1096 B8R1.4 O=C1COCC(=O)O1 HR104159 [0,1,0,0,0,1|1,0,1]=4 1097 B8R1.4 O=C1CSCC(=O)O1 HR100358 [0,1,0,0,0,1|1,0,1]=4 1098 B8R1.4 OC1CCCC(O)C1 HR133806 [0,1,0,0,0,1|0,0,2]=4 1099 B8R1.5 C=C1CCCCC1=C HR100430 [0,1,0,0,0,1|1,0,0]=3 1100 B8R1.5 CC1=NCCCN1C HR14029 [0,1,0,0,0,1|2,0,0]=4 1101 B8R1.5 CC1CCCCC1=O HR128184 [0,1,0,0,0,1|0,0,0]=2 1102 B8R1.5 CC1CCCCC1N HR132700 [0,1,0,0,0,1|1,0,1]=4 1103 B8R1.5 CC1CCCCC1O HR10840 [0,1,0,0,0,1|0,0,2]=4 1104 B8R1.5 CC1CCCNC1C HR121961 [0,1,0,0,0,1|1,0,1]=4 1105 B8R1.5 CC1CNCCC1=O HR102395 [0,1,0,0,0,1|0,0,0]=2 1106 B8R1.5 CC1CNCCC1=O HR144741 [0,1,0,0,0,1|0,0,0]=2 1107 B8R1.5 CC1COCCC1=O HR108661 [0,1,0,0,0,1|0,0,0]=2 1108 B8R1.5 CC1NCCNC1=O HR149053 [0,1,0,0,0,1|1,0,0]=3 1109 B8R1.5 CC1OCCNC1=O HR148881 [0,1,0,0,0,1|1,0,0]=3 1110 B8R1.5 CN1CCNCC1=O HR121878 [0,1,0,0,0,1|1,0,0]=3 1111 B8R1.5 NC1CCCCC1N HR125835 [0,1,0,0,0,1|1,0,1]=4 1112 B8R1.5 NC1CCCCC1N HR126059 [0,1,0,0,0,1|1,0,1]=4 1113 B8R1.5 NC1CCCCC1N HR126095 [0,1,0,0,0,1|1,0,1]=4 1114 B8R1.5 NC1CCCCC1N HR126327 [0,1,0,0,0,1|1,0,1]=4 1115 B8R1.5 NC1CCCCC1N HR138678 [0,1,0,0,0,1|1,0,1]=4 1116 B8R1.5 NC1CCCCC1O HR105750 [0,1,0,0,0,1|0,0,2]=4 1117 B8R1.5 NC1CCCCC1O HR106708 [0,1,0,0,0,1|0,0,2]=4 1118 B8R1.5 NC1CCCCC1O HR106746 [0,1,0,0,0,1|0,0,2]=4 1119 B8R1.5 NC1CCCCC1O HR108115 [0,1,0,0,0,1|0,0,2]=4 1120 B8R1.5 NC1CCCCC1O HR14514 [0,1,0,0,0,1|0,0,2]=4 1121 B8R1.5 NC1CCCCC1O HR146109 [0,1,0,0,0,1|0,0,2]=4 1122 B8R1.5 NC1CCCCC1O HR146110 [0,1,0,0,0,1|0,0,2]=4 1123 B8R1.5 NC1CCCCC1O HR146111 [0,1,0,0,0,1|0,0,2]=4 1124 B8R1.5 NC1CCCCC1O HR146112 [0,1,0,0,0,1|0,0,2]=4 1125 B8R1.5 NC1CCCCC1O HR148126 [0,1,0,0,0,1|0,0,2]=4 1126 B8R1.5 NC1CCCNC1=O HR103141 [0,1,0,0,0,1|0,0,0]=2 1127 B8R1.5 NC1CCCNC1=O HR109690 [0,1,0,0,0,1|0,0,0]=2 1128 B8R1.5 NC1CCCNC1=O HR143772 [0,1,0,0,0,1|0,0,0]=2 1129 B8R1.5 NC1CCOCC1F HR150486 [0,1,0,0,0,1|1,0,1]=4 1130 B8R1.5 NC1CCOCC1F HR150488 [0,1,0,0,0,1|1,0,1]=4 1131 B8R1.5 NN1CCCCC1=O HR128047 [0,1,0,0,0,1|0,0,0]=2 1132 B8R1.5 O=C1CCCCC1=O HR133849 [0,1,0,0,0,1|0,0,0]=2 1133 B8R1.5 O=C1CCCCC1Br HR121776 [0,1,0,0,0,1|0,0,0]=2 1134 B8R1.5 O=C1CCCCC1Cl HR133138 [0,1,0,0,0,1|0,0,0]=2 1135 B8R1.5 O=C1CCCCC1F HR150360 [0,1,0,0,0,1|0,0,0]=2 1136 B8R1.5 O=C1CCNCC1Br HR118186 [0,1,0,0,0,1|0,0,0]=2 1137 B8R1.5 O=C1CCNCC1F HR115169 [0,1,0,0,0,1|0,0,0]=2 1138 B8R1.5 O=C1CCNCC1F HR149775 [0,1,0,0,0,1|0,0,0]=2 1139 B8R1.5 O=C1CCOCC1F HR150373 [0,1,0,0,0,1|0,0,0]=2 1140 B8R1.5 O=C1NCCCC1F HR149509 [0,1,0,0,0,1|0,0,0]=2 1141 B8R1.5 O=C1NCCCC1O HR147038 [0,1,0,0,0,1|0,0,0]=2 1142 B8R1.5 OC1CCCCC1Cl HR136648 [0,1,0,0,0,1|0,0,2]=4 1143 B8R1.5 OC1CCCCC1O HR136389 [0,1,0,0,0,1|0,0,2]=4 1144 B8R1.5 OC1CCCCC1O HR140132 [0,1,0,0,0,1|0,0,2]=4 1145 B8R1.5 OC1CCNCC1F HR151100 [0,1,0,0,0,1|0,0,2]=4 1146 B8R1.5 OC1CCOCC1F HR150480 [0,1,0,0,0,1|0,0,2]=4 1147 B8R1.72 CC1(C)CCNCC1 HR145902 [0,1,0,0,0,1|1,0,1]=4 1148 B8R1.72 CC1(N)CCOCC1 HR115606 [0,1,0,0,0,1|1,0,1]=4 1149 B8R1.72 CC1(O)CCCCC1 HR107824 [0,1,0,0,0,1|0,0,2]=4 1150 B8R1.72 CC1(O)CCNCC1 TOSA04610 [0,1,0,0,0,1|0,0,2]=4 1151 B8R1.72 CC1(O)CCOCC1 HR148162 [0,1,0,0,0,1|0,0,2]=4 1152 B8R1.72 C[N+]1(C)CCCCC1 HR132856 [0,1,0,0,0,1|2,0,0]=4 1153 B8R1.72 C[N+]1(C)CCCCC1 HR144058 [0,1,0,0,0,1|2,0,0]=4 1154 B8R1.72 C[Si]1(C)CCCCO1 HR105989 [0,1,0,0,0,1|1,1,0]=4 1155 B8R1.72 FC1(F)CCCNC1 HR105946 [0,1,0,0,0,1|1,0,1]=4 1156 B8R1.72 FC1(F)CCCNC1 HR113287 [0,1,0,0,0,1|1,0,1]=4 1157 B8R1.72 FC1(F)CCNCC1 HR105321 [0,1,0,0,0,1|1,0,1]=4 1158 B8R1.72 FC1(F)CCNCC1 HR122203 [0,1,0,0,0,1|1,0,1]=4 1159 B8R1.72 O=S1(=O)CCCCN1 HR32664 [0,1,0,0,0,1|1,0,0]=3 1160 B8R1.72 O=S1(=O)CCNCC1 FISA07810 [0,1,0,0,0,1|1,0,0]=3 1161 B8R1.72 O=S1(=O)CCNCC1 HR10420 [0,1,0,0,0,1|1,0,0]=3 1162 B8R1.72 O=S1(=O)OCCCO1 HR134600 [0,1,0,0,0,1|2,0,0]=4 1163 B8R1.1 C=CC1CCC(=O)N1 HR117010 [0,2,0,0,0,0|1,0,0]=3 1164 B8R1.1 C=CC1CCC(=O)O1 HR127408 [0,2,0,0,0,0|1,0,0]=3 1165 B8R1.1 C=CC1COC(=O)O1 HR135385 [0,2,0,0,0,0|2,0,0]=4 1166 B8R1.1 CCC1CCC(=O)O1 HR137195 [0,2,0,0,0,0|1,0,0]=3 1167 B8R1.1 CCN1CCC(=O)C1 HR113880 [0,2,0,0,0,0|1,0,0]=3 1168 B8R1.1 CCN1CCC(O)C1 HR103620 [0,2,0,0,0,0|2,0,0]=4 1169 B8R1.1 CN1CCC(CN)C1 HR131003 [0,2,0,0,0,0|2,0,0]=4 1170 B8R1.1 CN1CCC(CO)C1 HR119306 [0,2,0,0,0,0|2,0,0]=4 1171 B8R1.1 O=C1CCC(CBr)N1 HR147112 [0,2,0,0,0,0|1,0,0]=3 1172 B8R1.1 O=C1CCC(CO)N1 HR107754 [0,2,0,0,0,0|1,0,0]=3 1173 B8R1.1 O=C1CCC(CO)N1 HR126441 [0,2,0,0,0,0|1,0,0]=3 1174 B8R1.1 O=C1CCC(CO)N1 HR130096 [0,2,0,0,0,0|1,0,0]=3 1175 B8R1.1 O=C1CCC(CO)O1 HR113766 [0,2,0,0,0,0|1,0,0]=3 1176 B8R1.1 O=C1CCC(CO)O1 HR145842 [0,2,0,0,0,0|1,0,0]=3 1177 B8R1.1 O=C1CCC(CO)O1 HR145872 [0,2,0,0,0,0|1,0,0]=3 1178 B8R1.1 O=C1NC(CI)CO1 HR146345 [0,2,0,0,0,0|2,0,0]=4 1179 B8R1.1 O=C1NCC(CCl)O1 HR101243 [0,2,0,0,0,0|2,0,0]=4 1180 B8R1.1 O=C1NCC(CCl)O1 HR105324 [0,2,0,0,0,0|2,0,0]=4 1181 B8R1.1 O=C1OCC(CO)O1 HR107356 [0,2,0,0,0,0|2,0,0]=4 1182 B8R1.7 CC(=O)C1=NCCS1 HR130371 [0,2,0,0,0,0|2,0,0]=4 1183 B8R1.7 CC(=O)C1CCCC1 HR120520 [0,2,0,0,0,0|0,0,1]=3 1184 B8R1.7 NC(=O)C1CCCN1 HR112229 [0,2,0,0,0,0|1,0,1]=4 1185 B8R1.7 NC(=O)C1CCCN1 HR120776 [0,2,0,0,0,0|1,0,1]=4 1186 B8R1.7 NC(=O)C1CCCN1 HR125014 [0,2,0,0,0,0|1,0,1]=4 1187 B8R1.7 NC(=O)C1CCCN1 HR125279 [0,2,0,0,0,0|1,0,1]=4 1188 B8R1.7 NC(=O)C1CCCN1 HR133421 [0,2,0,0,0,0|1,0,1]=4 1189 B8R1.7 NC(=O)C1CCCN1 HR145038 [0,2,0,0,0,0|1,0,1]=4 1190 B8R1.7 NC(=O)C1CCNC1 HR105323 [0,2,0,0,0,0|1,0,1]=4 1191 B8R1.7 O=C(Cl)C1CCCC1 HR129546 [0,2,0,0,0,0|0,0,1]=3 1192 B8R1.7 O=C(Cl)N1CCCC1 HR142080 [0,2,0,0,0,0|1,0,0]=3 1193 B8R1.7 O=C(O)C1CCCC1 HR124454 [0,2,0,0,0,0|0,0,1]=3 1194 B8R1.7 O=C(O)C1CCCN1 HR122958 [0,2,0,0,0,0|1,0,1]=4 1195 B8R1.7 O=C(O)C1CCCN1 HR136921 [0,2,0,0,0,0|1,0,1]=4 1196 B8R1.7 O=C(O)C1CCCN1 HR142963 [0,2,0,0,0,0|1,0,1]=4 1197 B8R1.7 O=C(O)C1CCCN1 SASA03107 [0,2,0,0,0,0|1,0,1]=4 1198 B8R1.7 O=C(O)C1CCCO1 HR129714 [0,2,0,0,0,0|1,0,1]=4 1199 B8R1.7 O=C(O)C1CCCO1 HR135878 [0,2,0,0,0,0|1,0,1]=4 1200 B8R1.7 O=C(O)C1CCCO1 HR136153 [0,2,0,0,0,0|1,0,1]=4 1201 B8R1.7 O=C(O)C1CCNC1 HR110045 [0,2,0,0,0,0|1,0,1]=4 1202 B8R1.7 O=C(O)C1CCNC1 HR124075 [0,2,0,0,0,0|1,0,1]=4 1203 B8R1.7 O=C(O)C1CCNC1 HR139411 [0,2,0,0,0,0|1,0,1]=4 1204 B8R1.7 O=C(O)C1CCNC1 HR16223 [0,2,0,0,0,0|1,0,1]=4 1205 B8R1.7 O=C(O)C1CCOC1 HR109306 [0,2,0,0,0,0|1,0,1]=4 1206 B8R1.7 O=C(O)C1CCOC1 HR110235 [0,2,0,0,0,0|1,0,1]=4 1207 B8R1.7 O=C(O)C1CCOC1 HR111915 [0,2,0,0,0,0|1,0,1]=4 1208 B8R1.7 OB(O)C1=CCCC1 HR145036 [0,2,0,0,0,0|0,0,2]=4 1209 B8R1.7 OB(O)C1CCCC1 HR125876 [0,2,0,0,0,0|0,0,2]=4 1210 B8R1.7 S=C([S-])N1CCCC1 HR129801 [0,2,0,0,0,0|1,1,0]=4 1211 B8R1.8 BrCCN1CCCC1 HR120871 [0,2,0,0,0,0|2,0,0]=4 1212 B8R1.8 C#CCN1CCCC1 HR33227 [0,2,0,0,0,0|2,0,0]=4 1213 B8R1.8 C#CCN1CCCC1 HR33945 [0,2,0,0,0,0|2,0,0]=4 1214 B8R1.8 ClCCN1CCCC1 HR132966 [0,2,0,0,0,0|2,0,0]=4 1215 B8R1.8 ClCCN1CCCC1 HR144838 [0,2,0,0,0,0|2,0,0]=4 1216 B8R1.8 NCCC1CCCC1 HR111513 [0,2,0,0,0,0|1,0,1]=4 1217 B8R1.8 NCCC1CCCC1 HR146891 [0,2,0,0,0,0|1,0,1]=4 1218 B8R1.8 NCCN1CCCC1 CEJL01604 [0,2,0,0,0,0|2,0,0]=4 1219 B8R1.8 O=C=NC1CCCC1 HR120079 [0,2,0,0,0,0|0,0,1]=3 1220 B8R1.8 OCCC1CCCC1 HR111073 [0,2,0,0,0,0|0,0,2]=4 1221 B8R1.8 OCCN1CCCC1 HR132675 [0,2,0,0,0,0|1,0,1]=4 1222 B8R1.11 C=CN1CCCC1=O HR130278 [0,2,0,0,0,0|1,0,0]=3 1223 B8R1.11 C=CN1CCCC1=O HR131788 [0,2,0,0,0,0|1,0,0]=3 1224 B8R1.11 CCN1CCCC1=O HR134739 [0,2,0,0,0,0|1,0,0]=3 1225 B8R1.11 CN1CCCC1CO HR103689 [0,2,0,0,0,0|2,0,0]=4 1226 B8R1.11 CN1CCCC1CO HR123222 [0,2,0,0,0,0|2,0,0]=4 1227 B8R1.11 CN1CCCC1CO HR137677 [0,2,0,0,0,0|2,0,0]=4 1228 B8R1.11 N#CC1=C(N)CCC1 HR127993 [0,2,0,0,0,0|1,0,1]=4 1229 B8R1.11 N#CC1CCCC1=O HR126764 [0,2,0,0,0,0|0,0,0]=2 1230 B8R1.11 N#CC1CSCC1=O HR107418 [0,2,0,0,0,0|1,0,0]=3 1231 B8R1.11 NC1CCCC1CO HR120947 [0,2,0,0,0,0|0,0,2]=4 1232 B8R1.11 NCC1CCCC1N HR142288 [0,2,0,0,0,0|1,0,1]=4 1233 B8R1.52 C#CC1(O)CCCC1 HR107247 [0,2,0,0,0,0|0,0,2]=4 1234 B8R1.52 CCC1(O)CCCC1 HR128504 [0,2,0,0,0,0|0,0,2]=4 1235 B8R1.52 CC[N+]1(C)CCCC1 HR142975 [0,2,0,0,0,0|2,0,0]=4 1236 B8R1.52 N#CC1(N)CCCC1 HR101576 [0,2,0,0,0,0|1,0,1]=4 1237 B8R1.52 N#CC1(N)CCCC1 HR121799 [0,2,0,0,0,0|1,0,1]=4 1238 B8R1.52 NC1(CO)CCCC1 HR105910 [0,2,0,0,0,0|0,0,2]=4 1239 B8R1.52 NCC1(O)CCCC1 HR102657 [0,2,0,0,0,0|0,0,2]=4 1240 B8R1.52 OCC1(F)CCCC1 HR34071 [0,2,0,0,0,0|0,0,2]=4 1241 B8R1.18 CC1CC(=O)N(C)C1 HR102594 [0,2,0,0,0,0|1,0,0]=3 1242 B8R1.18 NC1CC(=O)OC1=O HR110338 [0,2,0,0,0,0|1,0,1]=4 1243 B8R1.18 O=C1OC(Cl)C(Cl)O1 HR113790 [0,2,0,0,0,0|2,0,0]=4 1244 B8R1.50 CC1=C(O)C(=O)CC1 HR129501 [0,2,0,0,0,0|0,0,2]=4 1245 B8R1.50 CC1C(=O)CCC1=O HR137820 [0,2,0,0,0,0|0,0,1]=3 1246 B8R1.50 CC1CCC(=O)C1=O HR129446 [0,2,0,0,0,0|0,0,1]=3 1247 B8R1.50 CC1CCC(=O)N1C HR142184 [0,2,0,0,0,0|1,0,0]=3 1248 B8R1.50 CN1C(=O)CCC1=O HR140375 [0,2,0,0,0,0|1,0,1]=4 1249 B8R1.50 CN1CCN(C)C1=O HR7604 [0,2,0,0,0,0|2,0,0]=4 1250 B8R1.50 O=C1CCC(=O)N1Br HR126470 [0,2,0,0,0,0|1,0,1]=4 1251 B8R1.50 O=C1CCC(=O)N1Cl HR131518 [0,2,0,0,0,0|1,0,1]=4 1252 B8R1.50 O=C1CCC(=O)N1I HR12908 [0,2,0,0,0,0|1,0,1]=4 1253 B8R1.50 O=C1CCC(=O)N1O HR135012 [0,2,0,0,0,0|1,0,1]=4 1254 B8R1.50 O=C1OCC(O)C1O HR120212 [0,2,0,0,0,0|1,0,0]=3 1255 B8R1.51 CC1(C)CCC(=O)N1 HR104854 [0,2,0,0,0,0|1,0,0]=3 1256 B8R1.51 CC1(C)CNC(=O)C1 HR121474 [0,2,0,0,0,0|1,0,0]=3 1257 B8R1.51 CC1(C)CNC(=O)N1 HR33167 [0,2,0,0,0,0|2,0,0]=4 1258 B8R1.51 NC1CCC(F)(F)C1 HR115645 [0,2,0,0,0,0|1,0,1]=4 1259 B8R1.19 CC1(C)CCCC1=O HR113458 [0,2,0,0,0,0|0,0,0]=2 1260 B8R1.19 CC1CCOS1(=O)=O HR121223 [0,2,0,0,0,0|2,0,0]=4 1261 B6R1.3 CCCC1CO1 HR102110 [0,0,1,1,0,0|0,0,2]=4 1262 B6R1.11 C=C(C)C1CO1 HR139225 [0,0,1,1,0,0|2,0,0]=4 1263 B6R1.11 CC(=O)C1CC1 HR134464 [0,0,1,1,0,0|0,0,0]=2 1264 B6R1.11 CC(N)C1CC1 HR146098 [0,0,1,1,0,0|1,0,1]=4 1265 B6R1.11 CC(O)C1CC1 HR101733 [0,0,1,1,0,0|0,0,2]=4 1266 B6R1.11 N=C(N)C1CC1 HR137003 [0,0,1,1,0,0|2,0,0]=4 1267 B6R1.11 NC(=O)C1CC1 HR21401 [0,0,1,1,0,0|1,0,0]=3 1268 B6R1.11 O=C(Cl)C1CC1 FISA07805 [0,0,1,1,0,0|1,0,0]=3 1269 B6R1.11 O=C(O)C1CC1 HR133116 [0,0,1,1,0,0|1,0,0]=3 1270 B6R1.11 O=S([O-])C1CC1 HR105027 [0,0,1,1,0,0|2,0,0]=4 1271 B6R1.1 C1=COCCC1 HR126451 [0,0,1,1,0,0|0,0,2]=4 1272 B6R1.1 C1CCCCC1 HR106893 [0,0,1,1,0,0|1,0,1]=4 1273 B6R1.1 C1CCCCC1 HR147601 [0,0,1,1,0,0|1,0,1]=4 1274 B6R1.1 C1CCNCC1 ARJL02201 [0,0,1,1,0,0|1,0,1]=4 1275 B6R1.1 C1CCNCC1 HR101018 [0,0,1,1,0,0|1,0,1]=4 1276 B6R1.1 C1CCNCC1 HR131157 [0,0,1,1,0,0|1,0,1]=4 1277 B6R1.1 C1CCNCC1 HR132491 [0,0,1,1,0,0|1,0,1]=4 1278 B6R1.1 C1CCNCC1 HR149186 [0,0,1,1,0,0|1,0,1]=4 1279 B6R1.1 C1CCNNC1 HR103533 [0,0,1,1,0,0|2,0,0]=4 1280 B6R1.1 C1CCNNC1 HR104595 [0,0,1,1,0,0|2,0,0]=4 1281 B6R1.1 C1CCSCC1 HR125674 [0,0,1,1,0,0|0,1,1]=4 1282 B6R1.1 C1CC[NH2+]CC1 HR106637 [0,0,1,1,0,0|1,0,1]=4 1283 B8R2.18 OC1CC2CC2C1 HR145840 [0,0,0,1,0,1|0,0,2]=4 1284 B8R2.23 C1NCC2CC1O2 HR145936 [0,0,0,1,0,1|0,0,2]=4 1285 B8R2.34 C1CC2CC1CN2 HR105019 [0,0,0,1,0,1|1,0,1]=4 1286 B8R2.34 C1CC2CC1CN2 HR120772 [0,0,0,1,0,1|1,0,1]=4 1287 B8R2.34 C1CC2CCC1N2 HR102818 [0,0,0,1,0,1|1,0,1]=4 1288 B4R1.1 C1CNC1 HR100965 [1,0,0,0,1,0|1,0,0]=3 1289 B4R1.1 C1CNC1 HR136461 [1,0,0,0,1,0|1,0,0]=3 1290 B4R1.1 C1COC1 HR105712 [1,0,0,0,1,0|1,0,0]=3 1291 B4R1.2 BrC1CC1 HR136179 [0,0,0,0,2,0|1,0,1]=4 1292 B4R1.2 CC1=CC1 HR121029 [0,0,0,0,2,0|1,0,1]=4 1293 B4R1.2 NC1CC1 HR133653 [0,0,0,0,2,0|1,0,1]=4 1294 B4R1.2 OC1CC1 HR33756 [0,0,0,0,2,0|0,0,2]=4 1295 B8R1.22 BrC1CCCCCC1 HR128104 [0,0,0,0,0,2|1,0,1]=4 1296 B8R1.22 CC1CCNCCN1 HR118295 [0,0,0,0,0,2|1,0,1]=4 1297 B8R1.22 CC1CNCCCN1 HR110747 [0,0,0,0,0,2|1,0,1]=4 1298 B8R1.22 CN1CCCNCC1 HR123758 [0,0,0,0,0,2|2,0,0]=4 1299 B8R1.22 NC1CC=CCCC1 HR120578 [0,0,0,0,0,2|1,0,1]=4 1300 B8R1.22 NC1CCCCNC1 HR141733 [0,0,0,0,0,2|1,0,1]=4 1301 B8R1.22 NC1CCCCNC1 HR146551 [0,0,0,0,0,2|1,0,1]=4 1302 B8R1.22 NC1CCCOCC1 HR105429 [0,0,0,0,0,2|1,0,1]=4 1303 B8R1.22 O=C1C=CCCCC1 HR146270 [0,0,0,0,0,2|0,0,0]=2 1304 B8R1.22 O=C1CCCCCN1 HR129512 [0,0,0,0,0,2|0,0,0]=2 1305 B8R1.22 O=C1CCCCCO1 HR107144 [0,0,0,0,0,2|0,0,0]=2 1306 B8R1.22 O=C1CCCCCO1 HR120205 [0,0,0,0,0,2|0,0,0]=2 1307 B8R1.22 O=C1CCCNCC1 HR107777 [0,0,0,0,0,2|0,0,0]=2 1308 B8R1.22 O=C1CCCNCC1 HR136701 [0,0,0,0,0,2|0,0,0]=2 1309 B8R1.22 O=C1CCNCCN1 HR101958 [0,0,0,0,0,2|0,0,0]=2 1310 B8R1.22 O=C1CCNCCN1 HR113359 [0,0,0,0,0,2|0,0,0]=2 1311 B8R1.22 OC1CCCCCC1 HR122711 [0,0,0,0,0,2|0,0,2]=4 1312 B8R1.22 OC1CCCNCC1 HR110756 [0,0,0,0,0,2|0,0,2]=4