0 B9R0.45 CCCCOCCCCO S11917 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.45 CCCOCCOCCO D97202 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.45 OCCOCCOCCBr S10706 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.4 C=CCCCCCCI W11175 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.4 COCCCCCCBr S10679 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.4 NCCCOCCCO D84663 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.4 OCCCOCCCO AT19326 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,1,0,0,0,0|3,0,0]=4 8 B10R0.71 OCCOCCCOCCO D84669 [0,1,0,0,0,0|2,0,1]=4 9 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.5 CCCN1C=NC=C1CO P12457 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.17 BrCCOC1CCCCC1 C77571 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.17 CCCCC1CCNCC1 25962 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.17 CCNC[C@H]1CNCCO1 AB1553 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.17 OCCC[C@H]1CCCCN1 59724 [0,0,0,1,0,0|1,0,2]=4 15 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [0,0,0,1,0,0|1,0,2]=4 16 B10R1.17 OCCNC1CCOCC1 D97603 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.17 OCCOC1CCNCC1 C77513 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.17 OCCOC1CCOCC1 W16008 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.85 NCCN1CCCCCC1 52073 [0,0,0,1,0,0|2,0,1]=4 20 B7R0.1 C=CCCCCNC R10008 [2,0,0,0,0,0|1,0,0]=3 21 B7R0.1 CCCNCCCO AB4057 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.1 CNCCOCCO C70229 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.1 FCCCCCCBr A50948 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.1 NCCCCCCBr D83295 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.1 NCCCCCCS F31196 [2,0,0,0,0,0|1,1,0]=4 26 B7R0.1 NCCCOCCO W11222 [2,0,0,0,0,0|2,0,0]=4 27 B9R0.2 CCCCCCCC(=O)[O-] F12023 [1,1,0,0,0,0|0,0,2]=4 28 B9R0.5 CCCCC[C@H](O)CCO A10789 [1,1,0,0,0,0|0,0,1]=3 29 B9R0.46 CCCCCC[C@H](O)CBr D93070 [1,1,0,0,0,0|1,0,1]=4 30 B9R0.46 CCNCCCC(=O)OC 72977 [1,1,0,0,0,0|2,0,0]=4 31 B11R0.4 CCCCCCNC(=O)CCC W15994 [0,2,0,0,0,0|1,0,1]=4 32 B11R0.3 CCCCCCCCSCCO A10652 [0,2,0,0,0,0|0,0,2]=4 33 B9R1.8 CNCC1CCCCC1 F20557 [1,0,0,1,0,0|1,0,1]=4 34 B9R1.8 NCCC1CCCCC1 24486 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.8 NCCC1CCCCC1 55664 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.8 O=CCC1CCCCC1 11388 [1,0,0,1,0,0|0,0,2]=4 37 B9R1.8 OCCC1CCOCC1 62381 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.8 OCC[C@H]1CCCCN1 62347 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.8 OCC[C@H]1CCCCN1 88407 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.8 OCC[C@H]1CCCCN1 F30243 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.8 OCC[C@H]1CCCNC1 W17542 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.12 OCCOC1CCCC1 31903 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.15 CC1CCCCC1CN 72191 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.15 CC1CCCNC1CO 72650 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.15 CN1CCCC[C@@H]1CO O10154 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.15 CN1CCCC[C@@H]1CO O10190 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.33 CN1CCC[C@@H]1CCO 27869 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.33 CN1CCC[C@@H]1CCO 27876 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [1,0,0,1,0,0|0,0,0]=2 53 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.89 CCN1CCCCCC1 A11156 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.89 OC[C@H]1CCCCCN1 C12372 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.89 OC[C@H]1CCCCNC1 P12855 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.103 C1CCCCNCCC1 T72630 [1,0,0,1,0,0|1,0,1]=4 58 B11R1.4 CCCCCCC1=CC=CN1 D93114 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.4 CCCCCCC1=CNN=C1 F17298 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.4 CCCCCCN1C=CN=C1 D70731 [0,1,0,1,0,0|2,0,0]=4 61 B11R1.26 O=CC1=C(Cl)CCCCCC1 59423 [0,1,0,1,0,0|0,0,2]=4 62 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.91 OB(O)\C=C\C1CCCCC1 D76075 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.28 CCCCO[C@@H]1CCCCO1 D80647 [0,1,0,1,0,0|0,0,2]=4 65 B11R1.28 OCCCCC1CCCCC1 F53310 [0,1,0,1,0,0|0,0,2]=4 66 B11R1.28 OCCCCC1CCNCC1 67437 [0,1,0,1,0,0|0,0,2]=4 67 B11R1.28 OCCCCC1CCNCC1 67438 [0,1,0,1,0,0|0,0,2]=4 68 B11R1.28 OCCCC[C@H]1CCCCN1 31923 [0,1,0,1,0,0|0,0,2]=4 69 B11R1.25 O=C(CCl)NCC1CCCC1 W16061 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [0,1,0,1,0,0|2,0,0]=4 71 B11R2.12 O[C@H]1CCC12CCCCC2 84857 [0,0,0,2,0,0|0,0,2]=4