0 B10R0.74 CCCCCC#CC(=O)OC B21242 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.74 CCCCCCCC(=O)CC B20909 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.74 CCCCCCCC(=O)OC A10991 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.74 CCCCCCOC(=O)C=C L09905 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.74 CCCCC\C=C\C(=O)OC A19612 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.74 COC(=O)CCCCCCBr H27234 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.74 COC(=O)CCCCCCCl H27098 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.2 C(CCCN)CCC(=O)O H27519 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.2 CC(=O)OCCCCCBr A15549 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.2 CC(=O)OCCCCCCl A11111 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.2 CCCCCC#CC(=O)O B21957 [1,0,0,0,0,0|0,0,0]=1 11 B9R0.2 CCCCCCCC(=O)C A11781 [1,0,0,0,0,0|0,0,2]=3 12 B9R0.2 CCCCCCCC(=O)Cl L03526 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.2 CCCCCCCC(=O)O A11149 [1,0,0,0,0,0|0,0,2]=3 14 B9R0.2 CCCCCCCC(=O)[O-] 39371 [1,0,0,0,0,0|0,0,3]=4 15 B9R0.2 CCCCCCCC(=O)[O-] 39479 [1,0,0,0,0,0|0,0,3]=4 16 B9R0.2 CCCCCCCC(=O)[O-] 39825 [1,0,0,0,0,0|0,0,3]=4 17 B9R0.2 CCCCCCCC(=O)[O-] A13451 [1,0,0,0,0,0|0,0,3]=4 18 B9R0.2 CCCCCCOC(=O)C L06342 [1,0,0,0,0,0|1,0,1]=3 19 B9R0.2 CCCCC\C=C\C(=O)C A19084 [1,0,0,0,0,0|0,0,2]=3 20 B9R0.2 CCCCC\C=C\C(=O)O L02058 [1,0,0,0,0,0|0,0,2]=3 21 B9R0.45 CCCCCC#CCC#C L12516 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.45 CCCCCC#CCCC B20597 [1,0,0,0,0,0|1,0,1]=3 23 B9R0.45 CCCCCC#CCCO A12922 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.45 CCCCCCC#CCC B20268 [1,0,0,0,0,0|1,0,2]=4 25 B9R0.46 CCCCCCC(=O)CC A19878 [1,0,0,0,0,0|1,0,1]=3 26 B11R0.4 CCCCCC#CC(=O)OCC A19784 [0,1,0,0,0,0|0,0,0]=1 27 B11R0.4 CCCCCCCC(=O)CCC B20135 [0,1,0,0,0,0|1,0,2]=4 28 B11R0.4 CCCCCCCC(=O)OCC B23450 [0,1,0,0,0,0|0,0,2]=3 29 B11R0.4 CCCCC\C=C\C(=O)OCC A14919 [0,1,0,0,0,0|0,0,2]=3 30 B11R0.4 CCOC(=O)CCCCCCBr H28001 [0,1,0,0,0,0|1,0,2]=4 31 B11R0.40 CCCCCCC#CC(=O)OC B21409 [0,1,0,0,0,0|0,0,0]=1 32 B11R0.40 CCCCCCCCC(=O)CC B21007 [0,1,0,0,0,0|1,0,2]=4 33 B11R0.40 CCCCC\C=C\CC(=O)OC A19288 [0,1,0,0,0,0|0,0,2]=3 34 B11R0.42 CCCCCCOC(=O)C(=C)C L11569 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.40 COC(=O)CN1CCOCC1 B21842 [0,0,0,1,0,0|2,0,1]=4 36 B8R0.4 CCCCC#CCCC B21349 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.4 CCCCCC#CCCl H53452 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.4 CCCCCC#CCO L05596 [2,0,0,0,0,0|0,0,1]=3 39 B8R0.4 CCCCCCC#CC B23620 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.4 CCCCCCCC=O A10901 [2,0,0,0,0,0|0,0,2]=4 41 B8R0.4 CCCCCCOC=O L06226 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.4 CCCCC\C=C\C=O A18830 [2,0,0,0,0,0|0,0,2]=4 43 B8R0.7 C(CCC(=O)O)CCBr A15761 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.7 C(CCC(=O)O)CCN A14719 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.7 C(CCC(=O)O)CCO B24857 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.7 CC(=O)OCCCCBr A15632 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.7 CC(=O)OCCCCCl B22582 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.7 CC(=O)OCCCCI H31826 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.7 CCCCCCC(=O)C A11643 [2,0,0,0,0,0|0,0,1]=3 50 B8R0.7 CCCCCCC(=O)Cl L03315 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.7 CCCCCCC(=O)O A17704 [2,0,0,0,0,0|0,0,1]=3 52 B8R0.7 CCCCCOC(=O)C L10852 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.7 CCCCOCC(=O)O H50210 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.7 CCCC\C=C\C(=O)C A14652 [2,0,0,0,0,0|0,0,2]=4 55 B8R0.7 CCOCCOC(=O)C A13639 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.6 CCCC#CC(=O)OC B23065 [2,0,0,0,0,0|0,0,0]=2 57 B8R0.6 CCCCCC(=O)C=C L07189 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.6 CCCCCC(=O)CC A12113 [2,0,0,0,0,0|1,0,0]=3 59 B8R0.6 CCCCCC(=O)OC A10757 [2,0,0,0,0,0|0,0,0]=2 60 B8R0.6 CCCCOC(=O)CC B20125 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.6 CCC\C=C\C(=O)OC L08030 [2,0,0,0,0,0|0,0,2]=4 62 B8R0.6 COC(=O)CCCC#C H53370 [2,0,0,0,0,0|0,0,2]=4 63 B8R0.6 COC(=O)CCCCBr A19072 [2,0,0,0,0,0|1,0,0]=3 64 B8R0.6 COC(=O)CCCCCl B25408 [2,0,0,0,0,0|1,0,0]=3 65 B8R0.6 COC(=O)CCCSC L11000 [2,0,0,0,0,0|1,0,0]=3 66 B10R0.4 C(CCCC(=O)O)CCCBr B25575 [1,1,0,0,0,0|0,0,2]=4 67 B10R0.4 C(CCCC(=O)O)CCCN A17353 [1,1,0,0,0,0|0,0,2]=4 68 B10R0.4 CCCCCCCCC(=O)C A14145 [1,1,0,0,0,0|0,0,2]=4 69 B10R0.4 CCCCCCCCC(=O)O B21568 [1,1,0,0,0,0|0,0,2]=4 70 B10R0.4 CCCCCC\C=C\C(=O)C A19256 [1,1,0,0,0,0|0,0,2]=4 71 B10R0.4 CCCCCC\C=C\C(=O)O A13228 [1,1,0,0,0,0|0,0,2]=4 72 B10R0.4 CCCCOCCOC(=O)C L09515 [1,1,0,0,0,0|1,0,1]=4 73 B10R0.6 CCCCCC(=O)CC(=O)C L01151 [1,1,0,0,0,0|0,0,2]=4 74 B10R0.75 CCCCCCC(C(=O)O)O L02314 [1,1,0,0,0,0|0,0,2]=4 75 B10R0.78 CCCCC(C)CCC(=O)O B22616 [1,1,0,0,0,0|0,0,2]=4 76 B10R0.83 COC(=O)[C@H](CCCCN)N A18157 [1,1,0,0,0,0|1,0,1]=4 77 B12R0.1 CCCCCCC#CC(=O)OCC A18790 [0,2,0,0,0,0|0,0,0]=2 78 B12R0.1 CCCCCCCCC(=O)OCC B24190 [0,2,0,0,0,0|0,0,2]=4 79 B12R0.114 CCCCCCC(C(=O)OCC)Br B21896 [0,2,0,0,0,0|0,0,2]=4 80 B12R0.248 CCCCCCCCCC(=O)OC A15658 [0,2,0,0,0,0|0,0,2]=4 81 B10R1.10 CCCC1CCCC(=O)O1 L14303 [1,0,0,1,0,0|0,0,2]=4 82 B10R1.16 CCCCC1CCC(=O)O1 A18142 [1,0,0,1,0,0|0,0,2]=4 83 B10R1.18 C1CCC(CC1)CC(=O)O H31986 [1,0,0,1,0,0|0,0,2]=4 84 B10R1.18 CC(=O)CC1CCCCC1 A12748 [1,0,0,1,0,0|0,0,2]=4 85 B10R1.66 C1CCC(C1)CCC(=O)O A18192 [1,0,0,1,0,0|0,0,2]=4 86 B10R1.78 C1CCCC(=O)NCCC1 A18621 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.1 CCCC1CCC(=O)CC1 A11126 [1,0,0,1,0,0|1,0,1]=4 88 B10R1.15 CCC(=O)C1CCCCC1 B20409 [1,0,0,1,0,0|1,0,1]=4 89 B10R1.15 COC(=O)C1=CCCCC1 B25568 [1,0,0,1,0,0|0,0,2]=4 90 B10R1.15 COC(=O)C1CCNCC1 H61754 [1,0,0,1,0,0|1,0,1]=4 91 B12R1.32 CCOC(=O)C=C1CCCCC1 B25073 [0,1,0,1,0,0|0,0,2]=4 92 B12R1.32 CCOC(=O)CN1CCCCC1 A13663 [0,1,0,1,0,0|1,0,1]=4