0 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.1 CCCCCCCO HY-W099504 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.1 CCCC\C=C\C=O HY-W127398 [0,0,0,0,0,0|0,0,4]=4 3 B6R0.6 C(CO)=CCCC HY-W015936 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.6 C=CCCCCO HY-W012995 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.6 CCCCCCO HY-W032022 [1,0,0,0,0,0|0,0,3]=4 6 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,0,0,0,0|0,0,2]=3 7 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,0,0,0,0|0,0,1]=2 8 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,0,0,0,0,0|0,0,3]=4 9 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.4 C=CCCCCCCO HY-W127366 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.4 CCCCCCCC=O HY-N8015 [0,1,0,0,0,0|0,0,2]=3 13 B8R0.4 CC\C=C/CCCCO HY-W101301 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.4 COCCOCCC=O HY-W1049075C [0,1,0,0,0,0|1,0,1]=3 15 B8R0.6 C=CC(O)CCCCC HY-W010410 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,1,0,0,0,0|0,0,2]=3 17 B8R0.7 NCCOCCC(=O)O HY-140002 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.7 O=C(O)CCOCCO HY-116655 [0,1,0,0,0,0|2,0,1]=4 19 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 OCC1CCC=CO1 HY-34692 [0,0,0,1,0,0|1,0,2]=4 21 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,0,1,0,0|0,0,2]=3 22 B8R1.11 CCN1CCCC1=O HY-B1620 [0,0,0,1,0,0|1,0,1]=3 23 B8R1.11 CCN1CCCC1=O HY-B1620B [0,0,0,1,0,0|1,0,1]=3 24 B8R1.11 CCN1CCCC1=O HY-B1620H [0,0,0,1,0,0|1,0,1]=3 25 B8R1.11 CCN1CCCC1=O HY-B1620I [0,0,0,1,0,0|1,0,1]=3 26 B8R1.11 CCN1CCCC1=O HY-B1620J [0,0,0,1,0,0|1,0,1]=3 27 B8R1.11 CCN1CCCC1=O HY-B1620L [0,0,0,1,0,0|1,0,1]=3 28 B8R1.11 CCN1CCCC1=O HY-B1620O [0,0,0,1,0,0|1,0,1]=3 29 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,1,0,0|1,0,2]=4 31 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,1,0,0|1,0,2]=4 32 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,0,1,0,0|1,0,1]=3 33 B5R0.2 CCSCCCl HY-W199190 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.2 CC\C=C/CO HY-W030347 [2,0,0,0,0,0|0,0,1]=3 35 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|0,0,0]=2 36 B5R0.2 OC\C=C/CO HY-W027631 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,1,0,0,0,0|0,0,2]=4 38 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,1,0,0,0,0|0,0,0]=2 39 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,1,0,0,0,0|0,0,2]=4 40 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,1,0,0,0,0|0,0,2]=4 41 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [1,1,0,0,0,0|0,0,2]=4 42 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [1,1,0,0,0,0|0,0,2]=4 43 B7R0.4 NCCCCC(=O)O HY-W015878 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.7 CCOC(=O)CCN HY-Y1153 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,2,0,0,0,0|2,0,0]=4 49 B9R0.2 CCCCCCCC(=O)O HY-41417 [0,2,0,0,0,0|0,0,2]=4 50 B9R0.2 CCCCCCCC(=O)O HY-41417R [0,2,0,0,0,0|0,0,2]=4 51 B9R0.2 COCCOCCC(=O)O HY-130231 [0,2,0,0,0,0|1,0,1]=4 52 B9R0.2 COCCOCCC(=O)O HY-133324 [0,2,0,0,0,0|1,0,1]=4 53 B9R0.2 NCCSSCCC(=O)O HY-140096 [0,2,0,0,0,0|2,0,0]=4 54 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [0,2,0,0,0,0|0,0,2]=4 55 B9R0.45 C(CC)=CCCCCCO HY-W017558 [0,2,0,0,0,0|0,0,2]=4 56 B9R0.45 CCCCCCCCC=O HY-N8016 [0,2,0,0,0,0|0,0,2]=4 57 B9R0.45 CCCCCC\C=C\C=O HY-W089800 [0,2,0,0,0,0|0,0,2]=4 58 B9R0.45 CCCCCC\C=C\C=O HY-W089800R [0,2,0,0,0,0|0,0,2]=4 59 B9R0.45 CCCCC\C=C/CCO HY-W127320 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.45 CCCC\C=C\C=C\C=O HY-W127521 [0,2,0,0,0,0|0,0,2]=4 61 B9R0.45 CC\C=C/CC\C=C\C=O HY-W127515 [0,2,0,0,0,0|0,0,0]=2 62 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,2,0,0,0,0|0,0,2]=4 63 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [0,2,0,0,0,0|0,0,2]=4 64 B9R0.1 COC(=O)CCCC(=O)O HY-W017523 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,2,0,0,0,0|0,0,2]=4 66 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,1,0,1,0,0|1,0,1]=4 72 B9R1.69 C[C@@H]1NC(=O)CNC1=O HY-75564 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.3 O=C1CCCC(=O)C1Br HY-W027690 [0,1,0,1,0,0|1,0,1]=4 74 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,1,0,1,0,0|0,0,2]=4 75 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,1,0,1,0,0|1,0,1]=4 76 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,1,0,1,0,0|1,0,1]=4