0 B9R0.45 CCCCCCCCCO Z104476100 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 CCCCCCNCCO Z137800948 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.45 NCCCCCCCCN Z1203577927 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.45 NCCCCCCCCO Z4745386600 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.45 NCCSCCSCCN Z2740753669 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.45 OCCCCCOCCO Z1897250794 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 OCCOCCOCCF Z1618124684 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.45 OCCOCCOCCO Z104476078 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.45 OCCOCCSCCO Z756091788 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.4 C#CCCCCCCN Z3847490647 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.4 C=CCCCCCCN Z1198263320 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.4 CCCCCCCCO Z104473500 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.4 CCCCCNCCO Z137800944 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.4 CCNCCOCCN Z1323539868 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.4 CCOCCOCCN Z2900987685 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.4 COCCCNCCO Z382722010 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.4 NCCCCCCCN Z275166586 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.4 NCCCCCCCO Z3016956569 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.4 NCCCNCCCN Z1203577926 [1,0,0,0,0,0|2,0,0]=3 19 B10R0.71 C=CCCCCCCCCN Z2083000288 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.71 CCCCCCCCCCN Z362810900 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.71 CCCCCCCCCNC Z752371288 [0,1,0,0,0,0|3,0,0]=4 22 B10R0.71 CCCCOCCOCCN Z362798458 [0,1,0,0,0,0|3,0,0]=4 23 B10R0.74 CCCCCCCC(C)CN Z415655116 [0,1,0,0,0,0|3,0,0]=4 24 B10R0.91 CCCNCC(=O)NCCC Z104884800 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.4 CC1CCCCN1CCN Z271005826 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.4 CC1CNCCN1CCO Z995013488 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.4 CC1COCCN1CCN Z431555038 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.4 NCCN1CCOCC1=O Z2235820587 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.4 NCC[C@@H]1CCCC[C@@H]1O Z2915288574 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.4 NCC[C@@H]1CCCC[C@H]1O Z3993260243 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.17 CCCNC1CCCCC1 Z57396800 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.17 CCCOC1CCCNC1 Z334959364 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.17 NCCCC1CCCCC1 Z234895793 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.17 NCCCC1CCCCO1 Z1182485873 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.17 NCCNC1CCCCC1 Z4766278182 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.17 OCCNC1CCCCC1 Z90504557 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.17 OCCOC1CCCNC1 Z335092414 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.19 NC1CCCCCC1CO Z1407007412 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.20 CCC1CCCCC1CN Z2235386892 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.21 CCCCCC1CCCN1 Z1463349165 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.21 NCCCCC1CCCC1 Z1203590193 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.21 NCCOCC1CCCC1 Z976679450 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.29 CC1CCCC1NCCO Z1118527729 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.78 NC1CCCCCCCC1 Z3491522566 [0,0,0,1,0,0|3,0,0]=4 45 B10R1.85 C#CCN1CCCNCC1 Z1505387426 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.85 C=CCN1CCCNCC1 Z3271028100 [0,0,0,1,0,0|2,0,1]=4 47 B10R1.85 CCCC1CCCNCC1 Z425362308 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.85 CCCN1CCCNCC1 Z239604574 [0,0,0,1,0,0|2,0,0]=3 49 B10R1.85 NCCC1=CCCCCC1 Z1698549638 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.85 NCCN1CCCCCC1 Z228588982 [0,0,0,1,0,0|2,0,0]=3 51 B10R1.85 OCCN1CCCCCC1 Z197266168 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.85 OCCN1CCCNCC1 Z271072370 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.161 CCC1CCCCCCN1 Z5401717016 [0,0,0,1,0,0|3,0,0]=4 54 B10R1.161 NCC1CCCCCCC1 Z1259155971 [0,0,0,1,0,0|3,0,0]=4 55 B7R0.1 CCCCCCCO Z104473596 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.1 CCCCCCNC Z5419328797 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.1 CCCCOCCN Z409191398 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.1 CCNCCOCC Z138138014 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.1 CCOCCCCO Z993012560 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.1 CNCCCCCN Z4097840720 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.1 COCCCCCN Z608347192 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.1 COCCNCCF Z2512872814 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.1 COCCNCCN Z2940670642 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.1 COCCNCCO Z266088374 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.1 COCCOCCN Z285178622 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.1 CSCCCCCN Z823285026 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.1 ClCCCNCCCl Z2242062238 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.1 NCCCCCCN Z104473514 [2,0,0,0,0,0|0,0,0]=2 69 B7R0.1 NCCOCCCO Z2044949087 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.1 NCCSCCCO Z406685362 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.1 OCCCCCCBr Z1255398867 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.1 OCCCCCCO Z104473540 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.1 OCCCNCCO Z104654390 [2,0,0,0,0,0|2,0,0]=4 74 B9R0.2 CC(C)NCCOCCN Z1323539861 [1,1,0,0,0,0|1,0,0]=3 75 B9R0.2 CC(C)NCCOCCO Z2017842782 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.2 CCCCCNCC(=O)N Z104536260 [1,1,0,0,0,0|1,0,1]=4 77 B9R0.5 C=CCN(C)CCNCC Z1889916984 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.5 COCCCN(C)CCN Z608346606 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.18 CCOCC(=O)NCCN Z1455675677 [1,1,0,0,0,0|1,0,1]=4 80 B11R0.148 CN(C)CCNCCOCCO Z139112030 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.8 C#CCN1CCNCC1 Z235345079 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.8 CCCC1CCCCN1 Z1665033554 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.8 CCCC1CCCNC1 Z1404660494 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.8 CCCC1CCNCC1 Z963408928 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.8 CCCC1CNCCN1 Z1203732978 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.8 CCCC1CNCCO1 Z1203829779 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.8 CCCC1COCCN1 Z4607148847 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.8 CCNC1CCCCC1 Z235346963 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.8 CCNC1CCCOC1 Z2432621390 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.8 CCOC1CCCNC1 Z334959362 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.8 ClCCN1CCCCC1 Z235354563 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.8 ClCCN1CCOCC1 Z104490276 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.8 FCCN1CCNCC1 Z1203734738 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.8 N#CCC1CNCCN1 Z3067411060 [1,0,0,1,0,0|0,0,2]=4 97 B9R1.8 N#CCN1CCNCC1 Z367452300 [1,0,0,1,0,0|0,0,2]=4 98 B9R1.8 NCCC1CCCCC1 Z367451182 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.8 NCCC1CCCCO1 Z432420620 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.8 NCCC1CCNCC1 Z756921054 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.8 NCCC1CCOCC1 Z851015130 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.8 NCCC1CCSCC1 Z2768149804 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.8 NCCN1CC=CCC1 Z1946684598 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.8 NCCN1CCNCC1 Z57127897 [1,0,0,1,0,0|0,0,0]=2 105 B9R1.8 NCCN1CCOCC1 Z104477830 [1,0,0,1,0,0|1,0,0]=3 106 B9R1.8 OCCC1CCCNC1 Z1263820461 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.8 OCCC1CCNCC1 Z336087886 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.8 OCCC1CSCCN1 Z1375026565 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.8 OCCN1CCCCC1 Z104479032 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.8 OCCN1CCNCC1 Z104477190 [1,0,0,1,0,0|1,0,0]=3 111 B9R1.8 OCCN1CCOCC1 Z104474266 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.8 OCCN1CCSCC1 Z425793720 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.8 SCCN1CCOCC1 Z220616938 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.12 CCCCC1CCCN1 Z3244909133 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.12 CCCNC1CCCC1 Z1076533152 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.12 CCNCC1CCCO1 Z810541800 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.12 FCCNC1CCOC1 Z5569834625 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.12 NCCCC1CCCC1 Z744843730 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.12 NCCCC1CCOC1 Z1198224817 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.12 NCCNC1CCCC1 Z4158574763 [1,0,0,1,0,0|1,0,0]=3 121 B9R1.12 NCCOC1CCCC1 Z594038064 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.12 NCCSC1CCCC1 Z1263714075 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.12 OCCCC1CCCN1 Z979444798 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.12 OCCNC1CCCC1 Z1162448840 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.14 NC[C@@H]1CCC[C@H]1CF Z5489491630 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.15 CC1CCCCC1CN Z415655074 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.15 CC1COCCC1CN Z1255367314 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.15 CCC1CCCCC1N Z368844574 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.15 CCN1CCNCC1=O Z975809904 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.15 CCN1CCNCC1C Z995014084 [1,0,0,1,0,0|1,0,0]=3 131 B9R1.15 C[C@@H]1CCCN[C@@H]1CO Z2737203189 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.15 NCC1CCCCC1O Z409444222 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.17 NCCCCC1CCC1 Z5398432947 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.17 NCCOCC1CCC1 Z1263592136 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.33 CCN[C@@H]1CCC[C@H]1O Z1796000613 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.33 CCSC1CCCC1N Z1238713136 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.33 NC1CCCC1CCO Z1509036975 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.33 NCCN1CCNC1=O Z285171810 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.33 NCC[C@@H]1CCC[C@@H]1O Z4317048669 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.33 NCC[C@@H]1CCC[C@H]1O Z3272980752 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.50 CC1CCCCCCN1 Z3487835965 [1,0,0,1,0,0|2,0,0]=4 144 B9R1.50 NC1CCCCCCC1 Z104478188 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.83 NCCOCCC1CC1 Z3629170058 [1,0,0,1,0,0|2,0,0]=4 146 B9R1.83 OCCCCNC1CC1 Z839096664 [1,0,0,1,0,0|2,0,0]=4 147 B9R1.89 CCC1CCCCCN1 Z992736884 [1,0,0,1,0,0|2,0,0]=4 148 B9R1.89 CCC1CCCNCC1 Z425362302 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.89 CCC1CCNCCO1 Z3275232542 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.89 CCC1CCOCCN1 Z3275231194 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.89 CCN1CCCNCC1 Z239604554 [1,0,0,1,0,0|1,0,0]=3 152 B9R1.89 NCC1CCCCCC1 Z415655096 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.89 NCC1CCCOCC1 Z4438964521 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.89 NCC1CCCSCC1 Z3037487975 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.103 C1CCCCNCCC1 Z1203730912 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.103 C1COCCOCCN1 Z3477416729 [1,0,0,1,0,0|2,0,0]=4 157 B11R1.4 CCCNCCN1CCCC1 Z138447972 [0,1,0,1,0,0|2,0,0]=4 158 B11R1.16 CN(CCN)C1CCCCC1 Z425389760 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.101 CN1CCCCCNCCC1 Z2941505335 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.135 CN1CCCN(CC1)CCN Z337709722 [0,1,0,1,0,0|1,0,0]=3 161 B11R1.189 CCC1CN(CCO1)CCN Z431964258 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.189 NCC1CCCN(C1)CCO Z3826876299 [0,1,0,1,0,0|2,0,0]=4 163 B11R1.57 CC(C)CN1CCC[C@@H]1CN Z3037733801 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.57 CC(C)CN1CCC[C@H]1CN Z1493055955 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.86 CC(N)CN1CCOCC1C Z431555612 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.86 CC(O)CN1CCNCC1C Z995015012 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.191 CC1(COCCN1CCN)C Z818826086 [0,1,0,1,0,0|2,0,0]=4 168 B11R1.742 CC(C)CN1CCCNCC1 Z228588144 [0,1,0,1,0,0|2,0,0]=4 169 B11R1.742 CC(N)CN1CCCCCC1 Z271008798 [0,1,0,1,0,0|2,0,0]=4 170 B11R1.742 NC(=O)CN1CCCNCC1 Z426041418 [0,1,0,1,0,0|1,0,1]=4 171 B11R1.18 COCCN1CCCC1CN Z326202480 [0,1,0,1,0,0|2,0,0]=4 172 B11R1.41 CCCN1CCCCC1CN Z326178808 [0,1,0,1,0,0|2,0,0]=4 173 B11R1.41 NCC1CCCCN1CCO Z871859796 [0,1,0,1,0,0|2,0,0]=4 174 B11R1.109 COCC1CCCN1CCN Z1551460762 [0,1,0,1,0,0|2,0,0]=4 175 B11R1.203 C#CCCN1CCCNCC1 Z4752576394 [0,1,0,1,0,0|2,0,0]=4 176 B11R1.203 COCCN1CCCNCC1 Z285182352 [0,1,0,1,0,0|2,0,0]=4 177 B11R1.203 NCCCN1CCCOCC1 Z3272544430 [0,1,0,1,0,0|2,0,0]=4 178 B11R1.203 OCCCN1CCCNCC1 Z3814522399 [0,1,0,1,0,0|2,0,0]=4 179 B11R1.222 CC(CN)N1CCOCC1C Z431555176 [0,1,0,1,0,0|2,0,0]=4 180 B11R1.852 CC(CN)N1CCCCCC1 Z228568778 [0,1,0,1,0,0|2,0,0]=4 181 B11R1.182 CC1CN(C(CN1)C)CCO Z1251344001 [0,1,0,1,0,0|2,0,0]=4 182 B11R1.605 CC1CCCC(N1CCN)C Z271005918 [0,1,0,1,0,0|2,0,0]=4 183 B11R1.605 CC1CNCC(N1CCN)C Z2447066886 [0,1,0,1,0,0|1,0,0]=3 184 B11R2.10 F[C@H]1C[C@H]2CNCCN2C1 Z1954803440 [0,0,0,2,0,0|2,0,0]=4 185 B11R2.20 C1CC2CCNCC2CN1 Z4098095770 [0,0,0,2,0,0|2,0,0]=4 186 B11R2.20 C1CCC2NCCNC2C1 Z1184886650 [0,0,0,2,0,0|2,0,0]=4 187 B11R2.20 C1CCN2CCNCC2C1 Z425387750 [0,0,0,2,0,0|2,0,0]=4 188 B11R2.20 C1CN[C@@H]2COCC[C@@H]2N1 Z5001896030 [0,0,0,2,0,0|2,0,0]=4 189 B11R2.18 C1CNCC2CCCN2C1 Z916962720 [0,0,0,2,0,0|2,0,0]=4 190 B11R2.36 CC1CN2CCCC2CN1 Z1188338627 [0,0,0,2,0,0|2,0,0]=4 191 B11R2.1098 NCC12CCCN1CCC2 Z1945700433 [0,0,0,2,0,0|2,0,0]=4 192 B11R2.239 C1CC(C1)C2CNCCN2 Z3305265077 [0,0,0,2,0,0|2,0,0]=4 193 B11R2.1037 C1CCN2CCNC(C1)C2 Z3268388583 [0,0,0,2,0,0|2,0,0]=4 194 B11R2.1036 C1CNCCN(C1)C2CC2 Z825644840 [0,0,0,2,0,0|2,0,0]=4