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 B10R1.17 CCCCC1CCNCC1 25962 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.17 CCNC[C@H]1CNCCO1 AB1553 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.17 OCCC[C@H]1CCCCN1 59724 [0,0,0,1,0,0|1,0,2]=4 13 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [0,0,0,1,0,0|1,0,1]=3 14 B10R1.17 OCCNC1CCOCC1 D97603 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.17 OCCOC1CCNCC1 C77513 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.17 OCCOC1CCOCC1 W16008 [0,0,0,1,0,0|2,0,1]=4 17 B7R0.1 C=CCCCCNC R10008 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.1 CCCNCCCO AB4057 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.1 CNCCOCCO C70229 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.1 FCCCCCCBr A50948 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.1 NCCCCCCBr D83295 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.1 NCCCCCCS F31196 [2,0,0,0,0,0|1,1,0]=4 23 B7R0.1 NCCCOCCO W11222 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.5 CCCCC[C@H](O)CCO A10789 [1,1,0,0,0,0|0,0,1]=3 25 B9R0.5 CCOC(=O)CCCCN 23836 [1,1,0,0,0,0|2,0,0]=4 26 B9R0.46 C=CC(=O)NCCCCO C75218 [1,1,0,0,0,0|1,0,1]=4 27 B9R0.46 CCCCCC[C@H](O)CBr D93070 [1,1,0,0,0,0|1,0,1]=4 28 B11R0.4 CCCCCCNC(=O)CCC W15994 [0,2,0,0,0,0|1,0,1]=4 29 B11R0.4 CCOC(=O)CCCCCC=O N10484 [0,2,0,0,0,0|1,0,1]=4 30 B11R0.4 CCOC(=O)\C=C\CCCCCl 56157 [0,2,0,0,0,0|1,0,1]=4 31 B11R0.30 CC(C)\C=C\CCCCC(=O)Cl T73099 [0,2,0,0,0,0|0,0,2]=4 32 B11R0.30 CC(C)\C=C\CCCCC(=O)O C16043 [0,2,0,0,0,0|0,0,1]=3 33 B11R0.3 CCCCCCCCSCCO A10652 [0,2,0,0,0,0|0,0,2]=4 34 B9R1.5 CC1CCCNCC1C 73165 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.8 BrCCC1CCNCC1 AC8208 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.8 BrCCC1CCOCC1 56518 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.8 ClCCC1CCNCC1 AC3007 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.8 NCCC1CCCCC1 24486 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.8 NCCC1CCCCC1 55664 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.8 NCCC1CCOCC1 71435 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.8 NCCC1CCSCC1 AC3550 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.8 OCCC1CCOCC1 62381 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.8 OCCN1CCSCC1 O10852 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.8 OCC[C@H]1CCCCN1 62347 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.8 OCC[C@H]1CCCCN1 88407 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.8 OCC[C@H]1CCCCN1 F30243 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.8 OCC[C@H]1CCCNC1 W17542 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.12 OCCOC1CCCC1 31903 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.15 CC1CCCCC1CN 72191 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.15 CC1CCCNC1CO 72650 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.15 CN1CCCC[C@@H]1CO O10154 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.15 CN1CCCC[C@@H]1CO O10190 [1,0,0,1,0,0|1,0,1]=4 54 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.33 CN1CCC[C@@H]1CCO 27869 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.33 CN1CCC[C@@H]1CCO 27876 [1,0,0,1,0,0|1,0,1]=4 58 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [1,0,0,1,0,0|1,0,0]=3 59 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [1,0,0,1,0,0|0,0,0]=2 60 B9R1.89 CCN1CCCCCC1 A11156 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.89 OC[C@H]1CCCCCN1 C12372 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.89 OC[C@H]1CCCCNC1 P12855 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.103 C1CCCCNCCC1 T72630 [1,0,0,1,0,0|1,0,1]=4 64 B11R1.4 OCCCCO[C@@H]1CCCO1 A10551 [0,1,0,1,0,0|1,0,1]=4 65 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 S11652 [0,1,0,1,0,0|1,0,0]=3 66 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 31686 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.199 CCOC(=O)C1CCCC1O 74882 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 30653 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31838 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31887 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AC4201 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N C13819 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O C74194 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC6749 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AT11251 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.28 CCCCO[C@@H]1CCCCO1 D80647 [0,1,0,1,0,0|0,0,2]=4 78 B11R1.28 OCCCCC1CCCCC1 F53310 [0,1,0,1,0,0|0,0,2]=4 79 B11R1.28 OCCCCC1CCNCC1 67437 [0,1,0,1,0,0|0,0,2]=4 80 B11R1.28 OCCCCC1CCNCC1 67438 [0,1,0,1,0,0|0,0,2]=4 81 B11R1.28 OCCCCN1CCOCC1 AC1975 [0,1,0,1,0,0|1,0,1]=4 82 B11R1.28 OCCCC[C@H]1CCCCN1 31923 [0,1,0,1,0,0|0,0,2]=4 83 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [0,1,0,1,0,0|2,0,0]=4 84 B11R2.20 C1CO[C@H]2CCNC[C@@H]2C1 W12195 [0,0,0,2,0,0|1,0,1]=4 85 B11R2.1098 OCC12CCCN1CCC2 AT21831 [0,0,0,2,0,0|1,0,1]=4 86 B11R2.1098 OCC12CCCN1CCC2 D74396 [0,0,0,2,0,0|1,0,1]=4 87 B11R2.12 O[C@H]1CCC12CCCCC2 84857 [0,0,0,2,0,0|0,0,2]=4 88 B11R2.1261 C1CC[C@@]2(CCNC2)OC1 W13911 [0,0,0,2,0,0|1,0,1]=4