0 B9R0.45 CCCCCCCCCO Z104476100 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.45 CCCCCCNCCO Z137800948 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.45 CCCCOCCCCO Z993012624 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.45 NCCCCCCCCN Z1203577927 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.45 NCCCCCCCCO Z4745386600 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.45 NCCSCCSCCN Z2740753669 [0,0,0,0,0,0|2,2,0]=4 6 B9R0.45 OCCCCCOCCO Z1897250794 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.45 OCCOCCOCCF Z1618124684 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.45 OCCOCCOCCO Z104476078 [0,0,0,0,0,0|0,0,0]=0 9 B9R0.45 OCCOCCSCCO Z756091788 [0,0,0,0,0,0|0,1,0]=1 10 B8R0.4 C#CCCCCCCO Z1198157198 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.4 CCCCCCCCO Z104473500 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.4 CCCCCNCCO Z137800944 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.4 CCCCNCCCO Z102766210 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.4 CCNCCOCCN Z1323539868 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.4 CCOCCOCCN Z2900987685 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.4 COCCCNCCO Z382722010 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.4 NCCCCCCCN Z275166586 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.4 NCCCCCCCO Z3016956569 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.4 OCCCNCCCO Z104684334 [1,0,0,0,0,0|2,0,0]=3 20 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.71 CCCCOCCOCCN Z362798458 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.71 OCCSCOCSCCO Z1896426427 [0,1,0,0,0,0|0,2,0]=3 23 B10R1.4 CC1CNCCN1CCO Z995013488 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.4 CC1COCCN1CCN Z431555038 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.4 CCCC1CCCCC1O Z854050598 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.4 NCC[C@@H]1CCCC[C@@H]1O Z2915288574 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.4 NCC[C@@H]1CCCC[C@H]1O Z3993260243 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.4 O=C1COCCN1CCO Z1323533212 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.17 CCCOC1CCCNC1 Z334959364 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.17 NCCCC1CCCCO1 Z1182485873 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.17 OCCCC1CCCCC1 Z87002514 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.17 OCCCC1CCCCO1 Z1182486786 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.17 OCCNC1CCCCC1 Z90504557 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.17 OCCOC1CCCCC1 Z362785382 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.17 OCCOC1CCCNC1 Z335092414 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.17 OCCOC1CCNCC1 Z332382594 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.19 NC1CCCCCC1CO Z1407007412 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.21 NCCOCC1CCCC1 Z976679450 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.21 OCCOCC1CCCC1 Z1201627417 [0,0,0,1,0,0|2,0,0]=3 40 B10R1.29 CC1CCCC1NCCO Z1118527729 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.85 OCCC1CCCCCC1 Z1198264962 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.85 OCCN1CCCCCC1 Z197266168 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.85 OCCN1CCCNCC1 Z271072370 [0,0,0,1,0,0|3,0,0]=4 44 B7R0.1 CC#CCCCCO Z1233226212 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.1 CCCCCCCO Z104473596 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.1 CCCCOCCN Z409191398 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.1 CCCOCCCO Z1080358966 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.1 CCNCCOCC Z138138014 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.1 CCOCCCC#N Z295205414 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.1 CCOCCCCO Z993012560 [2,0,0,0,0,0|0,0,0]=2 51 B7R0.1 COCCCCCN Z608347192 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.1 COCCCCCO Z993012416 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.1 COCCNCCF Z2512872814 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.1 COCCNCCN Z2940670642 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.1 COCCNCCO Z266088374 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.1 COCCOCC#N Z295206426 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.1 COCCOCCN Z285178622 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.1 COCCOCCO Z849748688 [2,0,0,0,0,0|0,0,0]=2 59 B7R0.1 CSCCCCCO Z968557058 [2,0,0,0,0,0|1,1,0]=4 60 B7R0.1 NCCCCCCN Z104473514 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.1 NCCOCCCO Z2044949087 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.1 NCCSCCCO Z406685362 [2,0,0,0,0,0|1,1,0]=4 63 B7R0.1 OCCCCCCBr Z1255398867 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.1 OCCCCCCO Z104473540 [2,0,0,0,0,0|0,0,0]=2 65 B7R0.1 OCCCNCCO Z104654390 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.1 OCCCOCCO Z1373668758 [2,0,0,0,0,0|0,0,0]=2 67 B7R0.1 OCCCSCCO Z149155194 [2,0,0,0,0,0|0,1,0]=3 68 B7R0.1 OCCSSCCO Z1255415413 [2,0,0,0,0,0|0,2,0]=4 69 B9R0.2 CC(=O)NCCOCCO Z353623894 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.2 CC(C)NCCOCCN Z1323539861 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.2 CC(C)NCCOCCO Z2017842782 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.2 CCCCCOCC(=O)O Z409357548 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.2 CCOCCOCC(=O)O Z316258972 [1,1,0,0,0,0|0,0,1]=3 74 B9R0.2 NCCOCCCC(=O)O Z5080450038 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.5 CCCCCC(O)CCO Z1198158015 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.5 CCOC(=O)COCCN Z2235644494 [1,1,0,0,0,0|1,0,1]=4 77 B9R0.18 O=C(CCCO)NCCO Z1203731574 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.46 CCCCCCC(C)CO Z1238840360 [1,1,0,0,0,0|2,0,0]=4 79 B11R0.30 O=C(O)COCCOCC(=O)O Z104477844 [0,2,0,0,0,0|0,0,2]=4 80 B11R0.148 C#CCOCCOCCC(=O)O Z2235772112 [0,2,0,0,0,0|1,0,1]=4 81 B11R0.148 CN(C)CCNCCOCCO Z139112030 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.159 OCCNCCOCC(F)(F)F Z820712184 [0,2,0,0,0,0|2,0,0]=4 83 B11R0.3 COCCOCCOCCOC Z409380232 [0,2,0,0,0,0|0,0,0]=2 84 B11R0.3 OCCSCCCCSCCO Z1269109601 [0,2,0,0,0,0|0,2,0]=4 85 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.8 CCCC1CNCCO1 Z1203829779 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.8 CCCC1COCCN1 Z4607148847 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.8 CCNC1CCCOC1 Z2432621390 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.8 CCOC1CCCNC1 Z334959362 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.8 ClCCN1CCOCC1 Z104490276 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.8 NCCC1CCCCO1 Z432420620 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.8 NCCC1CCOCC1 Z851015130 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.8 NCCN1CCOCC1 Z104477830 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.8 OCCC1CCCCC1 Z397587116 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.8 OCCC1CCCCO1 Z1198184633 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.8 OCCC1CCCNC1 Z1263820461 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.8 OCCC1CCCOC1 Z1198309922 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.8 OCCC1CCNCC1 Z336087886 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.8 OCCC1CCOCC1 Z1178491138 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.8 OCCC1CSCCN1 Z1375026565 [1,0,0,1,0,0|1,1,0]=4 102 B9R1.8 OCCN1CCCCC1 Z104479032 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.8 OCCN1CCNCC1 Z104477190 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.8 OCCN1CCOCC1 Z104474266 [1,0,0,1,0,0|1,0,0]=3 105 B9R1.8 OCCN1CCSCC1 Z425793720 [1,0,0,1,0,0|1,1,0]=4 106 B9R1.8 SCCN1CCOCC1 Z220616938 [1,0,0,1,0,0|1,1,0]=4 107 B9R1.12 CCNCC1CCCO1 Z810541800 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.12 FCCNC1CCOC1 Z5569834625 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.12 NCCCC1CCOC1 Z1198224817 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.12 NCCOC1CCCC1 Z594038064 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.12 O=CCCC1OCCO1 Z1198155855 [1,0,0,1,0,0|0,0,2]=4 112 B9R1.12 OCCCC1CCCN1 Z979444798 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.12 OCCCC1CCCO1 Z993012576 [1,0,0,1,0,0|1,0,0]=3 114 B9R1.12 OCCNC1CCCC1 Z1162448840 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.12 OCCOC1CCCC1 Z362785380 [1,0,0,1,0,0|1,0,0]=3 116 B9R1.15 CC1COCCC1CN Z1255367314 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.15 CCC1CCCCC1O Z104476198 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.15 C[C@@H]1CCCN[C@@H]1CO Z2737203189 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.15 NCC1CCCCC1O Z409444222 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.15 OCC1CCCCC1O Z1198163949 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.17 NCCOCC1CCC1 Z1263592136 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.17 OCCOCC1CCC1 Z2256067074 [1,0,0,1,0,0|1,0,0]=3 125 B9R1.33 CCN[C@@H]1CCC[C@H]1O Z1796000613 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.33 NC1CCCC1CCO Z1509036975 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.33 NCC[C@@H]1CCC[C@@H]1O Z4317048669 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.33 NCC[C@@H]1CCC[C@H]1O Z3272980752 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.50 OC1CCCCCCC1 Z104472780 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.83 CCCCCCC1CO1 Z1020680070 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.83 NCCOCCC1CC1 Z3629170058 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.83 OCCCCNC1CC1 Z839096664 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.83 OCCCOCC1CO1 Z4201876111 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.89 CCC1CCNCCO1 Z3275232542 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.89 CCC1CCOCCN1 Z3275231194 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.89 NCC1CCCOCC1 Z4438964521 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.89 OCC1CCCCCC1 Z992928672 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.103 C1COCCOCCN1 Z3477416729 [1,0,0,1,0,0|1,0,0]=3 139 B11R1.4 N#CCCOCC1CCCO1 Z317037884 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.90 O=C(O)CN[C@@H]1COC[C@H]1O Z3399260782 [0,1,0,1,0,0|1,0,1]=4 141 B11R1.91 O=C(O)COC1CCCOC1 Z1898756150 [0,1,0,1,0,0|1,0,1]=4 142 B11R1.172 O=C(O)COCC1CCCO1 Z316259308 [0,1,0,1,0,0|1,0,1]=4 143 B11R1.18 COCCN1CCCC1CO Z905473454 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.18 COCCN1CCC[C@H]1CO Z1130244341 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.28 COCCOC1CCCNC1 Z334959354 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.28 NCCCOC1CCCCO1 Z1198263393 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.28 OCCCOC1CCCCC1 Z362785378 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.203 OCCCN1CCCOCC1 Z1354854541 [0,1,0,1,0,0|2,0,0]=4 149 B11R1.40 NC(CO)CC1CCCCO1 Z4777204053 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.756 CC1(OCCO1)CCCCN Z1262641001 [0,1,0,1,0,0|2,0,0]=4 151 B11R2.20 C1C[C@@H]2OCCO[C@H]2CN1 Z3031275796 [0,0,0,2,0,0|2,0,0]=4 152 B11R2.238 C1CCC(OC1)CC2CO2 Z3271405517 [0,0,0,2,0,0|2,0,0]=4 153 B11R2.1261 C1CNCC2(C1)OCCO2 Z1203733837 [0,0,0,2,0,0|2,0,0]=4 154 B11R2.15 CCB1O[C@H]2COC[C@H]2O1 Z3953045832 [0,0,0,2,0,0|2,0,0]=4 155 B11R2.60 O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O Z1258981468 [0,0,0,2,0,0|0,0,0]=2 156 B11R2.60 O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O Z1216815730 [0,0,0,2,0,0|0,0,0]=2