0 B9R0.45 CCCCCCCCCCl 8135AF [0,0,0,0,0,0|1,0,1]=2 1 B9R0.45 CCCCCCCCCS Q791 [0,0,0,0,0,0|0,1,1]=2 2 B9R0.45 COCCCNCCCN 8034AE [0,0,0,0,0,0|3,0,1]=4 3 B9R0.45 C\C=C/CCCCCCC 7421AL [0,0,0,0,0,0|1,0,1]=2 4 B8R0.4 CCCCCC\C=C\I 0029AQ [1,0,0,0,0,0|1,0,1]=3 5 B8R0.4 O=CCCCCCC=O 7540AB [1,0,0,0,0,0|1,0,1]=3 6 B8R0.4 O=CCCCCCCBr 3685AJ [1,0,0,0,0,0|1,0,0]=2 7 B10R0.4 O=C(O)CCCCCCCO 1908AC [0,1,0,0,0,0|1,0,0]=2 8 B10R0.4 O=C(O)CCCCCCCS 0512AQ [0,1,0,0,0,0|1,0,0]=2 9 B10R0.4 O=C(O)COCCOCCO X3816 [0,1,0,0,0,0|3,0,0]=4 10 B10R0.71 CCCCCCOCCCC AMTGC472 [0,1,0,0,0,0|1,0,1]=3 11 B10R0.74 OCCCCCCC(O)CO 4415AL [0,1,0,0,0,0|1,0,2]=4 12 B10R1.4 CC1CCCCN1CC#N 0186AF [0,0,0,1,0,0|2,0,1]=4 13 B10R1.4 CC1CCCCN1CCO 5913AD [0,0,0,1,0,0|1,0,2]=4 14 B10R1.4 CCCN1CCNCC1=O 7489AE [0,0,0,1,0,0|2,0,0]=3 15 B10R1.4 CN1CCCCC1CCN 6082AD [0,0,0,1,0,0|2,0,1]=4 16 B10R1.4 CNCC1CCCCN1C 6193AD [0,0,0,1,0,0|3,0,0]=4 17 B10R1.4 NCCN1CCCOC1=O 5921AC [0,0,0,1,0,0|3,0,0]=4 18 B10R1.5 C=CCN1CCCC1CN W7743 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.5 COC[C@@H]1CCCN1C=O 4178AL [0,0,0,1,0,0|2,0,0]=3 20 B10R1.17 C#CCCC1CCCCC1 2709AL [0,0,0,1,0,0|1,0,1]=3 21 B10R1.17 CNCCC1CCCCO1 4410AJ [0,0,0,1,0,0|1,0,2]=4 22 B10R1.17 COCCC1CCCNC1 4077AF [0,0,0,1,0,0|3,0,0]=4 23 B10R1.17 NCCCC1CCCNC1 2033AJ [0,0,0,1,0,0|2,0,1]=4 24 B10R1.17 NCCSC1CCCCC1 7883AE [0,0,0,1,0,0|2,0,1]=4 25 B10R1.17 O=CCCN1CCOCC1 Y1626 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.17 OCCCC1CCCNC1 1979AB [0,0,0,1,0,0|1,0,2]=4 27 B10R1.17 OCCOC1CCCCC1 5273AJ [0,0,0,1,0,0|1,0,2]=4 28 B10R1.21 CCCCCC1CCCC1 8654AL [0,0,0,1,0,0|1,0,1]=3 29 B10R1.21 CNCCCN1CCCC1 4671AF [0,0,0,1,0,0|3,0,0]=4 30 B10R1.21 O=CCCCC1OCCO1 Y7776 [0,0,0,1,0,0|2,0,0]=3 31 B7R0.1 CCCCCCNC Y1198 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.1 CCCCNCCC 6811AD [2,0,0,0,0,0|1,0,0]=3 33 B7R0.1 CC\C=C/CCC=O 8476AJ [2,0,0,0,0,0|0,0,2]=4 34 B7R0.1 CC\C=C/CCCC 7443AL [2,0,0,0,0,0|0,0,2]=4 35 B7R0.1 COCCCCCBr Y7509 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.1 COCOCCC=O 5717AJ [2,0,0,0,0,0|2,0,0]=4 37 B9R0.2 COCCNCCC(N)=O 7908AC [1,1,0,0,0,0|2,0,0]=4 38 B9R0.18 CCCCC(C)CCCC 6803AL [1,1,0,0,0,0|0,0,1]=3 39 B9R0.18 CCCCN(C)CCCN 3945AD [1,1,0,0,0,0|2,0,0]=4 40 B9R0.46 CCCCCCC(C)CC 6115AL [1,1,0,0,0,0|0,0,1]=3 41 B9R0.46 CC[C@H](C)CCCCCO 4206AL [1,1,0,0,0,0|0,0,1]=3 42 B9R0.46 OCCCCCC(O)CO 4414AL [1,1,0,0,0,0|1,0,1]=4 43 B11R0.4 C=CCCCCCC(=O)OCC 1277AE [0,2,0,0,0,0|1,0,1]=4 44 B11R0.40 CCCCCCCC[C@@H](O)CO O013 [0,2,0,0,0,0|0,0,2]=4 45 B11R0.40 OCCCCCCCC(O)CO 4416AL [0,2,0,0,0,0|0,0,2]=4 46 B11R0.111 CCC(=O)CCCCCC(=O)O 6875AD [0,2,0,0,0,0|0,0,1]=3 47 B11R0.148 C=C(Br)CCCCCCCCC 4419AD [0,2,0,0,0,0|1,0,0]=3 48 B11R0.159 CCCCCCCC[Si](Cl)(Cl)Cl 8939AJ [0,2,0,0,0,0|1,1,0]=4 49 B11R0.3 CCCC\C=C\CCCCCC 6767AL [0,2,0,0,0,0|1,0,1]=4 50 B11R0.3 O=CCCCCCCCCCBr 3395AC [0,2,0,0,0,0|0,0,0]=2 51 B9R1.5 BrC1CCCCCC1Br 3090AB [1,0,0,1,0,0|2,0,0]=4 52 B9R1.5 CN1CCCNCC1=O 8136AE [1,0,0,1,0,0|2,0,0]=4 53 B9R1.5 N[C@H]1CCCCC[C@@H]1O 0321AQ [1,0,0,1,0,0|1,0,1]=4 54 B9R1.8 BrCCC1CCCCN1 8894AE [1,0,0,1,0,0|2,0,0]=4 55 B9R1.8 C=C=CC1CCCCC1 X3409 [1,0,0,1,0,0|0,0,2]=4 56 B9R1.8 NNCC1CCCCC1 3969AJ [1,0,0,1,0,0|2,0,0]=4 57 B9R1.8 O=CCN1CCCCC1 X3787 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.8 O=CCN1CCOCC1 2810AA [1,0,0,1,0,0|2,0,0]=4 59 B9R1.12 BrCCCN1CCCC1 2284AA [1,0,0,1,0,0|2,0,0]=4 60 B9R1.12 C=CCNC1CCCC1 5583AE [1,0,0,1,0,0|1,0,1]=4 61 B9R1.12 COCCC1CCCN1 3594AF [1,0,0,1,0,0|2,0,0]=4 62 B9R1.12 O=CCCC1OCCO1 Y4161 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.15 CCC1NCCNC1=O 5065AC [1,0,0,1,0,0|2,0,0]=4 64 B9R1.15 COC1CNCCC1=O 2327AJ [1,0,0,1,0,0|2,0,0]=4 65 B9R1.15 N[C@@H]1CCCC[C@@H]1CO 8475AJ [1,0,0,1,0,0|1,0,1]=4 66 B9R1.15 N[C@@H]1CCCC[C@H]1CO 4877AJ [1,0,0,1,0,0|1,0,1]=4 67 B9R1.15 O=C1CCCCC1CO 7564AB [1,0,0,1,0,0|1,0,0]=3 68 B9R1.33 CN1CCCC1CCCl 9319AJ [1,0,0,1,0,0|2,0,0]=4 69 B9R1.33 CN1CCC[C@H]1CCO 9114AH [1,0,0,1,0,0|1,0,1]=4 70 B9R1.33 NCCN1CCCC1=O 3487AF [1,0,0,1,0,0|2,0,0]=4 71 B9R1.50 NC1C=CCCCCC1 5931AD [1,0,0,1,0,0|1,0,1]=4 72 B9R1.89 NNC1CCCCCC1 3964AJ [1,0,0,1,0,0|2,0,0]=4 73 B9R1.103 C1CCCCNCCC1 8287AB [1,0,0,1,0,0|1,0,0]=3 74 B11R1.86 CC1CCCCN1CC(=O)O 0823AF [0,1,0,1,0,0|1,0,0]=3 75 B11R1.86 CN1CCCCC1CC(=O)O 1026AL [0,1,0,1,0,0|1,0,0]=3 76 B11R1.91 NC(=O)COC1CCNCC1 1821AL [0,1,0,1,0,0|2,0,0]=4 77 B11R1.91 O=C(O)C#CC1CCCCC1 6023AB [0,1,0,1,0,0|0,0,2]=4 78 B11R1.91 O=C(O)CCC1CNCCN1 2391AJ [0,1,0,1,0,0|2,0,0]=4 79 B11R1.91 O=C(O)CCC1CNCCN1 2392AJ [0,1,0,1,0,0|2,0,0]=4 80 B11R1.5 NCCN1CCCCCC1=O 2607AB [0,1,0,1,0,0|1,0,0]=3 81 B11R1.28 C=CCOCC1CCCNC1 4005AF [0,1,0,1,0,0|2,0,0]=4 82 B11R1.28 C=CCOCC1CCNCC1 0409AD [0,1,0,1,0,0|2,0,0]=4 83 B11R1.28 CCOCCC1CCCCN1 0293AD [0,1,0,1,0,0|1,0,1]=4 84 B11R1.28 NCCCCC1CCCCC1 2802AJ [0,1,0,1,0,0|1,0,1]=4 85 B11R1.28 OCCCCC1CCCNC1 5961AJ [0,1,0,1,0,0|0,0,2]=4 86 B11R1.28 OCCCCC1CCNCC1 0254AB [0,1,0,1,0,0|0,0,2]=4 87 B11R1.28 OCCCCN1CCCCC1 6389AB [0,1,0,1,0,0|0,0,2]=4 88 B11R2.55 O=C1CCCCC1C2CC2 2069AL [0,0,0,2,0,0|0,0,0]=2 89 B11R2.106 O=C1CCCC2CNCC12 4435AJ [0,0,0,2,0,0|1,0,0]=3 90 B11R2.106 O=C1CCCN2CCCC12 4136AJ [0,0,0,2,0,0|1,0,0]=3 91 B11R2.106 O=C1CCNC2CCCC12 2822AJ [0,0,0,2,0,0|1,0,0]=3 92 B11R2.106 O=C1CCNC2CCCC12 4130AJ [0,0,0,2,0,0|1,0,0]=3 93 B11R2.106 O=C1CNCC2CCCN12 4138AJ [0,0,0,2,0,0|2,0,0]=4 94 B11R2.106 [C@@H]12CCCN1C(=O)CNC2 9217AH [0,0,0,2,0,0|2,0,0]=4 95 B11R2.565 O=C1C2CCCC1CCC2 0273AQ [0,0,0,2,0,0|0,0,0]=2 96 B11R2.1 O=C1CC[C@@H]2CNCCN12 7610AA [0,0,0,2,0,0|2,0,0]=4 97 B11R2.1 [C@H]12CCC(=O)N1CCNC2 8898AH [0,0,0,2,0,0|2,0,0]=4 98 B11R2.1037 C1CCC2CCCC(C1)N2 9098AD [0,0,0,2,0,0|1,0,1]=4 99 B11R2.1261 C1CCC2(CCCC2)NC1 3430AJ [0,0,0,2,0,0|1,0,1]=4 100 B11R2.3 O=C1NCCC12CCNC2 3536AA [0,0,0,2,0,0|2,0,0]=4 101 B11R2.3 O=C1OCCC12CCNC2 1837AJ [0,0,0,2,0,0|2,0,0]=4