0 B11R1.40 CNC(C)CC1CCCCC1 RT3982 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.40 COC(=O)CC1CCNCC1 YH19851 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 COC(=O)CC1CCNCC1 YH39158 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 COC(=O)C[C@@H]1CCCNC1 YH98124 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 COC(=O)C[C@H]1CCCNC1 YH90648 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 C1CCCCN1CCCC LT6043 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CCCCC1CCCCC1 LQ1886 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.17 CCCCN1CCOCC1 HL0591 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 COCCN1CCOCC1 XJ3577 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 ClCCCN1CCCCC1 LQ2937 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 N#CCCC1CCCCC1 YH34124 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.17 O=CCCC1CCCCC1 RT17549 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 OCCCN1CCCCC1 LL0377 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.18 CC(=O)CC1CCCCC1 LL0342 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.18 CC(C)CC1CNCCN1 YH90239 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.18 CC(C)CN1CCNCC1 JZ2697 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.18 CC(O)CN1CCCCC1 LT0492 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.18 CC(O)CN1CCOCC1 LQ2053 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.18 CN(C)CC1CCCCC1 XJ0262 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.18 O=C(O)CC1CCCCC1 JZ2678 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.32 CC(CCO)OC1CCCCO1 RT0274 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O YH08594 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.194 COP(C)(=O)OC1CCCCC1 XJ3234 [0,1,0,0,0,0|3,0,0]=4 23 B10R0.74 CCCCCCCC(=N)OC RT1143 [0,0,1,0,0,0|2,0,1]=4 24 B10R0.74 CCCCCCCC(=O)CC LQ1524 [0,0,1,0,0,0|2,0,1]=4 25 B10R0.74 CCCCCCCC(=O)OC XJ0374 [0,0,1,0,0,0|2,0,1]=4 26 B10R0.74 CCCCCCCC(C)CO LQ5052 [0,0,1,0,0,0|2,0,0]=3 27 B10R0.74 CCCCCCCC(O)CC JZ4657 [0,0,1,0,0,0|2,0,0]=3 28 B12R2.2918 O=C1CC2(CCCCC2)CN1 LT1316 [0,0,0,1,0,0|1,0,1]=3 29 B12R2.2918 O=C1CC2(CCCCC2)CO1 RT15449 [0,0,0,1,0,0|2,0,1]=4 30 B12R2.4133 [CH2]NC1(O)CN2CCC1CC2 LT5908 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.15 CCC(=O)C1CCCCC1 HL0671 [0,0,0,0,1,0|2,0,1]=4 32 B10R1.15 COC(=O)C1CCCCC1 RT0241 [0,0,0,0,1,0|2,0,1]=4 33 B10R1.15 NNC(=O)C1CCCCC1 YH58666 [0,0,0,0,1,0|2,0,1]=4 34 B10R1.27 COC(=O)CC1CCCC1 XJ2279 [0,0,0,0,1,0|2,0,1]=4 35 B9R0.46 CCCCCCC(=O)NC LQ4481 [1,0,1,0,0,0|1,0,1]=4 36 B9R0.46 CCCCCCC(C)C=O XJ3439 [1,0,1,0,0,0|2,0,0]=4 37 B9R0.46 CCCCCCC(O)CC XJ1169 [1,0,1,0,0,0|2,0,0]=4 38 B9R0.2 CC(C)CCCCCC=O RT1248 [1,0,1,0,0,0|1,0,1]=4 39 B9R0.2 CC(C)CCCCCCO XJ2143 [1,0,1,0,0,0|1,0,0]=3 40 B9R0.2 CC(C)CCCCCCO XJ4926 [1,0,1,0,0,0|1,0,0]=3 41 B9R0.2 CCCCCCCC(C)=O LQ1471 [1,0,1,0,0,0|1,0,1]=4 42 B9R0.2 CCCCCCCC(C)Br XJ2055 [1,0,1,0,0,0|1,0,0]=3 43 B9R0.2 CCCCCCCC(C)C XJ1411 [1,0,1,0,0,0|0,0,0]=2 44 B9R0.2 CCCCCCCC(C)O LQ1241 [1,0,1,0,0,0|1,0,0]=3 45 B9R0.2 CN(C)CCCCCCO RT0044 [1,0,1,0,0,0|2,0,0]=4 46 B9R0.45 C#CCCCCCCCC XJ1344 [1,0,1,0,0,0|1,0,1]=4 47 B9R0.45 C=CCCCCCCCC XJ1413 [1,0,1,0,0,0|1,0,1]=4 48 B9R0.45 CCCCCCCCCCl HL2250 [1,0,1,0,0,0|2,0,0]=4 49 B9R0.45 CCCCCCCCCI LQ2646 [1,0,1,0,0,0|2,0,0]=4 50 B9R0.45 CCCCCCCCCN XJ0441 [1,0,1,0,0,0|2,0,0]=4 51 B9R0.45 CCCCCCCCCO HL1569 [1,0,1,0,0,0|2,0,0]=4 52 B9R0.45 CCCCCCCCNC XJ2176 [1,0,1,0,0,0|0,0,0]=2 53 B9R0.45 CCCCCCCCSC LT5548 [1,0,1,0,0,0|1,0,0]=3 54 B9R0.45 COCCCCCCOC JZ3663 [1,0,1,0,0,0|2,0,0]=4 55 B9R1.8 BrCCC1CCCCC1 HL0957 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.8 CCCC1CCCCN1 LT0385 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.8 CSCN1CCCCC1 LT0505 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 ClCCN1CCCCC1 LQ1947 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 ClCCN1CCCCC1 LT6058 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.8 N#CCC1CCCCC1 LX3031 [2,0,0,0,0,0|0,0,2]=4 61 B9R1.8 NCCC1=CCCCC1 HL2542 [2,0,0,0,0,0|0,0,2]=4 62 B9R1.8 NCCC1CCOCC1 YH12238 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.8 NCCN1CCNCC1 XJ0549 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.8 NCCN1CCOCC1 XJ2031 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.8 OCCC1CCCCC1 XJ2696 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.8 OCCC1CCCCN1 HL0894 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.8 OCCC1CCCNC1 HL4509 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.8 OCCC1CCNCC1 JZ3997 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.8 OCCC1CCOCC1 YH02520 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.8 OCCN1CCCCC1 HL2424 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.8 OCC[C@@H]1CCCCN1 YH18874 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.8 OCC[C@H]1CCCCN1 RT3869 [2,0,0,0,0,0|2,0,0]=4 73 B11R0.40 CCCCCCCCC(C)C#N HL4369 [0,1,1,0,0,0|2,0,0]=4 74 B11R0.40 CCCCCCCCC(C)C=O JZ5272 [0,1,1,0,0,0|2,0,0]=4 75 B11R0.42 CCCCCCCC(=O)N(C)C XJ1582 [0,1,1,0,0,0|1,0,1]=4 76 B11R0.142 CCCCCCC(O)C(C)CC LQ5331 [0,1,1,0,0,0|1,0,0]=3 77 B11R1.16 N[C@@H](CCO)C1CCCCC1 RT17433 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.16 N[C@H](CCO)C1CCCCC1 RT17432 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.28 CCCCCC1CCCCC1 LQ2653 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.28 NCCCCC1CCNCC1 YH16623 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.28 NCCCNC1CCCCC1 XJ2460 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.91 O=C(O)CCC1CCCCC1 JZ4115 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.900 CCCCC1(O)CCCCC1 LQ2876 [1,1,0,0,0,0|1,0,0]=3 84 B11R2.20 C1CCC2CNCCC2C1 LT2059 [1,0,0,1,0,0|0,0,0]=2 85 B11R2.20 C1CCC2NCCCC2C1 HL2092 [1,0,0,1,0,0|2,0,0]=4 86 B11R2.20 [C@H]12CCCC[C@@H]1CCNC2 LT2200 [1,0,0,1,0,0|0,0,0]=2 87 B11R2.20 [C@H]12CCCC[C@H]1CNCC2 LT2051 [1,0,0,1,0,0|0,0,0]=2 88 B13R3.3861 BrC1C2CC3CC(C2)CC1C3 LQ3250 [0,0,0,2,0,0|2,0,0]=4 89 B13R3.3861 NC1C2CC3CC(C2)CC1C3 LQ3452 [0,0,0,2,0,0|2,0,0]=4 90 B13R3.3861 NC1C2CC3CC(C2)CC1C3 YH31458 [0,0,0,2,0,0|2,0,0]=4 91 B13R3.3861 O=C1C2CC3CC(C2)CC1C3 LX2065 [0,0,0,2,0,0|2,0,0]=4 92 B9R1.12 CCCCN1CCCC1 HL0386 [1,0,0,0,1,0|2,0,0]=4 93 B9R1.6 CC(C)C1CCCCC1 LQ1361 [1,0,0,0,1,0|0,0,0]=2 94 B9R1.6 CC(C)N1CCNCC1 LQ2673 [1,0,0,0,1,0|2,0,0]=4 95 B9R1.6 CC(C)[C@@H]1CNCCN1 LX2201 [1,0,0,0,1,0|2,0,0]=4 96 B9R1.6 CC(C)[C@@H]1CNCCN1 YH45336 [1,0,0,0,1,0|2,0,0]=4 97 B9R1.6 CC(O)C1CCCCN1 RT14152 [1,0,0,0,1,0|2,0,0]=4 98 B9R1.6 CN(C)C1CCNCC1 XJ5511 [1,0,0,0,1,0|2,0,0]=4 99 B9R1.6 CN(C)C1CCNCC1 YH03193 [1,0,0,0,1,0|2,0,0]=4 100 B9R1.13 CC(C)NC1CCNC1 YH31034 [1,0,0,0,1,0|2,0,0]=4