0 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.22 O=C1CCCCCN1 HY-W010542 [1,0,0,0,0,0|1,0,1]=3 2 B8R1.22 O=C1CCCCCO1 HY-W015891 [1,0,0,0,0,0|0,0,1]=2 3 B8R1.22 O=C1CCCCCO1 HY-W392100B [1,0,0,0,0,0|0,0,1]=2 4 B8R1.22 O=C1CCCNCC1 HY-W001845 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,0,1,0,0,0|2,0,1]=4 6 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,0,1,0,0,0|3,0,0]=4 7 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,0,1,0,0,0|3,0,0]=4 8 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,0,1,0,0,0|2,0,0]=3 9 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,0,1,0,0,0|2,0,1]=4 10 B8R0.7 C#CCOCCC(=O)O HY-130504 [0,0,1,0,0,0|2,0,1]=4 11 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,0,1,0,0,0|2,0,1]=4 12 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,0,1,0,0,0|3,0,0]=4 13 B8R0.7 NCCOCCC(=O)O HY-140002 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.7 O=C(O)CCOCCO HY-116655 [0,0,1,0,0,0|1,0,2]=4 15 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,0,1,0,0,0|2,0,0]=3 17 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.19 O=C(CI)OC(=O)CI HY-W686605 [0,0,1,0,0,0|2,0,0]=3 19 B10R2.71 O=C1CC2CCC(C1)N2 HY-76030 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,0,1,0|1,0,0]=2 21 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,0,0,1,0|1,0,0]=2 22 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,0,0,0,1,0|2,0,0]=3 23 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,0,0,0,1,0|1,0,0]=2 24 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,0,0,1,0|1,0,1]=3 25 B8R1.5 NC1CCCNC1=O HY-21088 [0,0,0,0,1,0|2,0,1]=4 26 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,0,0,0,1,0|2,0,1]=4 27 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,0,0,0,1,0|0,0,0]=1 28 B7R0.1 CCCC\C=C\C=O HY-W127398 [1,0,1,0,0,0|1,0,0]=3 29 B7R0.3 CCCCC(=O)NN HY-W012890 [1,0,1,0,0,0|2,0,0]=4 30 B7R0.3 COC(=O)CCCBr HY-W004701 [1,0,1,0,0,0|1,0,1]=4 31 B7R0.3 COC(=O)CCCN HY-79594 [1,0,1,0,0,0|1,0,1]=4 32 B7R0.7 CCOC(=O)CCN HY-Y1153 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.2 CCC(C)OC(C)=O HY-158759 [1,0,1,0,0,0|1,0,1]=4 34 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,0,1,0,0,0|0,0,2]=4 36 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,1,0,0,0|1,0,0]=3 38 B7R0.4 NCCOCC(=O)O HY-140643 [1,0,1,0,0,0|2,0,0]=4 39 B7R0.4 NCCOCC(=O)O HY-140644 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.4 O=C(O)COCCBr HY-130163 [1,0,1,0,0,0|2,0,0]=4 43 B7R0.4 O=C(O)COCCS HY-140730 [1,0,1,0,0,0|1,1,0]=4 44 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [0,1,1,0,0,0|1,0,1]=4 45 B9R0.35 CCCC(C)C(=O)OCC HY-W015667 [0,1,1,0,0,0|1,0,1]=4 46 B9R0.35 CCC[C@H](N)C(=O)OCC HY-75949 [0,1,1,0,0,0|1,0,1]=4 47 B9R0.6 CCOC(=O)C(Cl)C(C)=O HY-Y0364 [0,1,1,0,0,0|2,0,0]=4 48 B9R0.1 CN(CCCC(=O)O)N=O HY-W679891 [0,1,1,0,0,0|2,0,0]=4 49 B9R0.2 C#CCCCCCC(=O)O HY-69220 [0,1,1,0,0,0|1,0,1]=4 50 B9R0.2 CCCCCCCC(=O)O HY-41417 [0,1,1,0,0,0|1,0,1]=4 51 B9R0.2 CCCCCCCC(=O)O HY-41417R [0,1,1,0,0,0|1,0,1]=4 52 B9R0.2 COCCOCCC(=O)O HY-130231 [0,1,1,0,0,0|2,0,0]=4 53 B9R0.2 COCCOCCC(=O)O HY-133324 [0,1,1,0,0,0|2,0,0]=4 54 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [0,1,1,0,0,0|1,0,1]=4 55 B9R0.2 [N-]=[N+]=NCCCCC(=O)O HY-130544 [0,1,1,0,0,0|2,0,0]=4 56 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,1,1,0,0,0|1,0,1]=4 57 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [0,1,1,0,0,0|1,0,1]=4 58 B9R0.47 C=CCSC[C@@H](N)C(=O)O HY-W048286 [0,1,1,0,0,0|2,0,0]=4 59 B9R0.47 C=CCSC[C@H](N)C(=O)O HY-W013573 [0,1,1,0,0,0|2,0,0]=4 60 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,1,1,0,0,0|1,0,1]=4 61 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,1,1,0,0,0|1,0,1]=4 62 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,1,1,0,0,0|1,0,1]=4 63 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,1,1,0,0,0|1,0,1]=4 64 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,1,1,0,0,0|1,0,1]=4 65 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,1,1,0,0,0|1,0,1]=4 66 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,1,1,0,0,0|1,0,1]=4 67 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,1,1,0,0,0|1,0,1]=4 68 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,1,1,0,0,0|1,0,0]=3 69 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,1,1,0,0,0|1,0,1]=4 70 B9R0.55 N=C(N)NCCCC(=O)O HY-113286 [0,1,1,0,0,0|2,0,0]=4 71 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [0,1,1,0,0,0|0,0,0]=2 72 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [0,1,1,0,0,0|0,0,0]=2 73 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [0,1,1,0,0,0|0,0,0]=2 74 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [0,1,1,0,0,0|0,0,0]=2 75 B9R0.55 O=C(O)C\C=C\CC(=O)O HY-128426 [0,1,1,0,0,0|0,0,2]=4 76 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.3 O=C1CCCC(=O)C1Br HY-W027690 [0,1,0,0,1,0|1,0,0]=3 78 B9R1.69 CC1CNC(=O)NC1=O HY-N6787 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,0,1,1,0,0|1,0,1]=4 80 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,0,1,1,0,0|1,0,1]=4 81 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,0,1,1,0,0|2,0,0]=4 82 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,0,1,1,0,0|1,0,1]=4 83 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,0,1,1,0,0|1,0,1]=4 84 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,0,1,1,0,0|2,0,0]=4 85 B11R2.66 O=C1CN2C(=O)CCC2N1 HY-106856 [0,0,0,1,0,1|2,0,0]=4 86 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,0,1,0,1,0|1,0,0]=3 87 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,0,1,0,1,0|1,0,0]=3 88 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,0,1,0,1,0|2,0,0]=4 89 B7R1.3 O=C1C=CCCN1 HY-W006454 [1,0,0,0,1,0|1,0,1]=4 90 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,0,1,0|1,0,0]=3 91 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,0,1,0|0,0,0]=2 92 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,0,1,0|1,0,1]=4 93 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,0,1,0|1,0,1]=4 94 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,0,1,0|2,0,0]=4 95 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,0,2,0|2,0,0]=4 96 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,0,2,0|1,0,1]=4 97 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,0,2,0|1,0,1]=4 98 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,0,2,0|1,0,0]=3 99 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,0,2,0|1,0,0]=3 100 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,0,2,0|0,0,0]=2 101 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,0,0,0,2,0|2,0,0]=4 102 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,0,2,0|2,0,0]=4