0 B10R0.3 CC(CCC=C(C)C)CCO A19016 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.3 CCOC(=O)CCCC(=O)C L17848 [0,0,0,0,0,0|2,1,1]=4 2 B10R0.3 C[C@@H](CCC=C(C)C)CCO H60174 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.2 C(CCCN)CCC(=O)O H27519 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.2 CC(=O)OCCCCC=C H53445 [1,0,0,0,0,0|0,0,2]=3 5 B9R0.2 CC(=O)OCCCCCBr A15549 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.2 CC(=O)OCCCCCCl A11111 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.2 CCCCCC#CC(=O)O B21957 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.2 CCCCCCCC(=O)C A11781 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.2 CCCCCCCC(=O)Cl L03526 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.2 CCCCCCCC(=O)O A11149 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.2 CCCCCCCC(=O)[O-] 39371 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.2 CCCCCCCC(=O)[O-] 39479 [1,0,0,0,0,0|2,0,0]=3 13 B9R0.2 CCCCCCCC(=O)[O-] 39825 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.2 CCCCCCCC(=O)[O-] A13451 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.2 CCCCCCCC(C)Br L07387 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.2 CCCCCCCC(C)C B20849 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.2 CCCCCCCC(C)O L06310 [1,0,0,0,0,0|1,0,2]=4 18 B9R0.2 CCCCCCC[C@@H](C)N L19310 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.2 CCCCCCC[C@H](C)N L19311 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.2 CCCCCCNC(=S)N B21686 [1,0,0,0,0,0|2,1,0]=4 21 B9R0.2 CCCCCCOC(=O)C L06342 [1,0,0,0,0,0|0,0,0]=1 22 B9R0.2 CCCCC\C=C\C(=O)C A19084 [1,0,0,0,0,0|1,0,1]=3 23 B9R0.2 CCCCC\C=C\C(=O)O L02058 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.2 CCC\C=C\COC(=O)C A18786 [1,0,0,0,0,0|0,0,2]=3 25 B9R0.2 CC\C=C/CCOC(=O)C A19380 [1,0,0,0,0,0|0,0,2]=3 26 B9R0.5 CCCCCC(CCC)O A19496 [1,0,0,0,0,0|1,1,1]=4 27 B11R0.6 CC(CCOC(=O)C)OC(=O)C L12180 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.124 CCNC1CCN(C1)C(=O)C H51001 [0,0,0,1,0,0|3,0,0]=4 29 B9R0.48 CCCC(C)CCC(=O)C B25160 [0,0,0,0,1,0|1,0,0]=2 30 B9R0.48 CCOC(=O)CCC(=O)C A15001 [0,0,0,0,1,0|1,1,1]=4 31 B9R0.48 CCOC(=O)CCC(=O)C B20149 [0,0,0,0,1,0|1,1,1]=4 32 B8R0.7 C(CCC(=O)Cl)CCBr A11063 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.7 C(CCC(=O)Cl)CCCl L11111 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.7 C(CCC(=O)O)CCBr A15761 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.7 C(CCC(=O)O)CCN A14719 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.7 C(CCC(=O)O)CCO B24857 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.7 CC(=O)OCCCC=C B20258 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.7 CC(=O)OCCCCBr A15632 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.7 CC(=O)OCCCCCl B22582 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.7 CC(=O)OCCCCI H31826 [2,0,0,0,0,0|1,0,0]=3 41 B8R0.7 CCCCCCC(=O)C A11643 [2,0,0,0,0,0|0,0,0]=2 42 B8R0.7 CCCCCCC(=O)Cl L03315 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.7 CCCCCCC(=O)O A17704 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.7 CCCCCCC(C)O A16985 [2,0,0,0,0,0|0,0,2]=4 45 B8R0.7 CCCCCCN(C)C A17364 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.7 CCCCCC[C@@H](C)N L19308 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.7 CCCCCC[C@@H](C)O L11502 [2,0,0,0,0,0|0,0,2]=4 48 B8R0.7 CCCCCC[C@H](C)N L19309 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.7 CCCCCC[C@H](C)O L12425 [2,0,0,0,0,0|0,0,2]=4 50 B8R0.7 CCCCCOC(=O)C L10852 [2,0,0,0,0,0|0,0,0]=2 51 B8R0.7 CCCCOCC(=O)O H50210 [2,0,0,0,0,0|2,0,0]=4 52 B8R0.7 CCCC\C=C\C(=O)C A14652 [2,0,0,0,0,0|0,0,2]=4 53 B8R0.7 CCOCCOC(=O)C A13639 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.28 CC(C)CCOC(=O)C B21618 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.4 CCCCCCC#CC B23620 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.4 CCCCCCCC=O A10901 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.4 CCCCCCCCC A16177 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.4 CCCCCCCNC H65794 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.4 CCCCCCOC=O L06226 [2,0,0,0,0,0|0,0,0]=2 60 B8R0.4 CCCCC\C=C\C=O A18830 [2,0,0,0,0,0|1,0,1]=4 61 B10R0.4 C(CCCC(=O)O)CCCBr B25575 [1,1,0,0,0,0|2,0,0]=4 62 B10R0.4 C(CCCC(=O)O)CCCN A17353 [1,1,0,0,0,0|2,0,0]=4 63 B10R0.4 CCCCCCCCC(=O)C A14145 [1,1,0,0,0,0|1,0,0]=3 64 B10R0.4 CCCCCCCCC(=O)Cl A17671 [1,1,0,0,0,0|2,0,0]=4 65 B10R0.4 CCCCCCCCC(=O)O B21568 [1,1,0,0,0,0|2,0,0]=4 66 B10R0.4 CCCCCC\C=C\C(=O)C A19256 [1,1,0,0,0,0|1,0,0]=3 67 B10R0.4 CCCCCC\C=C\C(=O)O A13228 [1,1,0,0,0,0|2,0,0]=4 68 B10R0.4 CCCCOCCOC(=O)C L09515 [1,1,0,0,0,0|0,0,0]=2 69 B10R0.6 CCCCCC(=O)CC(=O)C L01151 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.74 CCCCCC#CC(=O)OC B21242 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.74 CCCCCCCC(=O)CC B20909 [1,1,0,0,0,0|1,0,0]=3 72 B10R0.74 CCCCCCCC(=O)OC A10991 [1,1,0,0,0,0|1,0,0]=3 73 B10R0.74 CCCCCCOC(=O)C=C L09905 [1,1,0,0,0,0|0,0,1]=3 74 B10R0.74 CCCCC\C=C\C(=O)OC A19612 [1,1,0,0,0,0|1,0,1]=4 75 B10R0.74 COC(=O)CCCCCCBr H27234 [1,1,0,0,0,0|2,0,0]=4 76 B10R0.74 COC(=O)CCCCCCCl H27098 [1,1,0,0,0,0|2,0,0]=4 77 B10R0.75 CCCCCCC(C(=O)O)O L02314 [1,1,0,0,0,0|2,0,0]=4 78 B10R0.78 CCCCC(C)CCC(=O)O B22616 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.13 CC(=O)N1CCC(CC1)N H30389 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.10 CCCC1CCCC(=O)O1 L14303 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.10 CCCC1CCOC(S1)C B22630 [1,0,0,1,0,0|0,1,1]=4 82 B10R1.16 CCCCC1CCC(=O)O1 A18142 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.18 C1CCC(CC1)CC(=O)O H31986 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.18 C1CCC(CC1)NC(=O)N B24915 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.18 CC(=O)CC1CCCCC1 A12748 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.18 CC(=O)NC1CCNCC1 H50981 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.18 CC(=O)OC1=CCCCC1 L04970 [1,0,0,1,0,0|0,0,2]=4 88 B10R1.66 C1CCC(C1)CCC(=O)Cl A17715 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.66 C1CCC(C1)CCC(=O)O A18192 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.66 CC(=O)OCC1CCCO1 B23205 [1,0,0,1,0,0|1,0,0]=3 91 B10R1.78 C1CCCC(=O)NCCC1 A18621 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.348 CC(=O)N1CCCNCC1 H50260 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.1 CCCC1CCC(=O)CC1 A11126 [0,0,0,1,1,0|1,0,0]=3 94 B10R1.1 CCCN1CCC(=O)CC1 B25477 [0,0,0,1,1,0|2,0,0]=4 95 B10R1.113 C1C[C@H](C[C@@H](C1)N)C(=O)N H62529 [0,0,0,1,1,0|2,0,0]=4 96 B10R1.113 C1C[C@H](C[C@@H](C1)N)C(=O)O H62232 [0,0,0,1,1,0|2,0,0]=4 97 B12R2.1661 CC(=O)OC1CC2CC1C=C2 H56907 [0,0,0,2,0,0|1,0,1]=4 98 B8R0.9 CC(=O)OCC(CO)O A14025 [1,0,0,0,1,0|1,1,0]=4 99 B8R0.5 CC(COC)OC(=O)C L15459 [0,0,0,0,2,0|2,0,0]=4