0 B8R1.1 C=CC1CNC(=S)O1 HY-N5056 [0,0,0,0,0,0|1,1,2]=4 1 B8R1.1 C=C[C@@H]1CNC(=S)O1 HY-N0224 [0,0,0,0,0,0|1,1,2]=4 2 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,0,0,0,0,0|0,0,0]=0 3 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [1,0,0,0,0,0|1,0,1]=3 4 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,0,0,0|1,0,1]=3 7 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,0,0,0|0,0,2]=3 8 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,0,0,0|0,0,0]=1 9 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.2 O=C1CCC(=O)N1 HY-41877 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,0,0,0|1,0,1]=3 12 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,1,0,0,0,0|2,0,1]=4 18 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,0,1,0,0,0|2,0,0]=3 20 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,0,1,0,0,0|2,0,0]=3 21 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,0,1,0,0,0|2,0,1]=4 22 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,0,1,0,0,0|0,0,0]=1 23 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,0,1,0,0,0|3,0,0]=4 24 B7R0.3 CCCCC(=O)NN HY-W012890 [0,0,1,0,0,0|3,0,0]=4 25 B7R0.3 COC(=O)CCCBr HY-W004701 [0,0,1,0,0,0|3,0,0]=4 26 B7R0.3 COC(=O)CCCN HY-79594 [0,0,1,0,0,0|3,0,0]=4 27 B7R0.4 C#CCCCC(=O)O HY-Y0925 [0,0,1,0,0,0|0,0,2]=3 28 B7R0.4 C#CCNCC(=O)O HY-142035 [0,0,1,0,0,0|1,0,2]=4 29 B7R0.4 CCCCCC(C)N HY-B0952 [0,0,1,0,0,0|2,0,1]=4 30 B7R0.4 CCCCCC(C)O HY-W015879 [0,0,1,0,0,0|1,0,1]=3 31 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,0,1,0,0,0|0,0,2]=3 32 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,0,1,0,0,0|0,0,2]=3 33 B7R0.4 NCCCCC(=O)O HY-W015878 [0,0,1,0,0,0|1,0,0]=2 34 B7R0.4 NCCOCC(=O)O HY-140643 [0,0,1,0,0,0|2,0,0]=3 35 B7R0.4 NCCOCC(=O)O HY-140644 [0,0,1,0,0,0|2,0,0]=3 36 B7R0.4 O=C(Cl)CCCCBr HY-43538 [0,0,1,0,0,0|2,0,0]=3 37 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,0,1,0,0,0|1,0,0]=2 38 B7R0.4 O=C(O)COCCBr HY-130163 [0,0,1,0,0,0|2,0,0]=3 39 B7R0.4 O=C(O)COCCS HY-140730 [0,0,1,0,0,0|2,0,0]=3 40 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,0,1,0,0,0|2,0,0]=4 41 B6R0.1 CCOC(=O)CN HY-76204 [1,0,1,0,0,0|1,0,0]=3 42 B6R0.1 COC(=O)CCN HY-W007648 [1,0,1,0,0,0|2,0,0]=4 43 B6R0.1 COC(=O)CCO HY-42569 [1,0,1,0,0,0|2,0,0]=4 44 B6R0.1 COC(=O)OCCl HY-43384 [1,0,1,0,0,0|2,0,0]=4 45 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,0,1,0,0,0|2,0,0]=4 46 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,0,1,0,0,0|2,0,0]=4 48 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,0,1,0,0,0|0,0,2]=4 49 B6R0.4 CCCCB(O)O HY-W000932 [1,0,1,0,0,0|1,0,1]=4 50 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,1,0,0,0|1,0,0]=3 51 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,1,0,0,0|1,0,0]=3 52 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,1,0,0,0|1,0,0]=3 53 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,1,0,0,0|0,0,2]=4 54 B6R0.4 CSCCC(=O)O HY-101401 [1,0,1,0,0,0|1,0,0]=3 55 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,1,0,0,0|0,0,2]=4 56 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,1,0,0,0|1,0,0]=3 57 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,1,0,0,0|1,0,0]=3 58 B6R0.6 C(CO)=CCCC HY-W015936 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.6 C=CCCCCO HY-W012995 [1,0,1,0,0,0|2,0,0]=4 60 B6R0.6 CCCCCCO HY-W032022 [1,0,1,0,0,0|0,0,1]=3 61 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,1,0,0,0|0,0,2]=4 62 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,1,0,0,0|2,0,0]=4 63 B6R0.6 NCCCCCO HY-W012971 [1,0,1,0,0,0|1,0,1]=4 64 B6R0.9 CCN(CC)N=O HY-N7434 [1,0,1,0,0,0|2,0,0]=4 65 B6R1.2 N=C1CCCS1 HY-W015798 [2,0,0,0,0,0|1,1,0]=4 66 B6R1.2 O=C1C=CCC1 HY-W010643 [2,0,0,0,0,0|1,0,1]=4 67 B6R1.2 O=C1C=CCO1 HY-W008270 [2,0,0,0,0,0|0,0,2]=4 68 B6R1.2 O=C1CCOC1 HY-33900 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 O=C1CCSC1 HY-W010594 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 O=C1NCCN1 HY-W031536 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,1,1,0,0,0|2,0,0]=4 72 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,1,1,0,0,0|2,0,0]=4 73 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,1,1,0,0,0|2,0,0]=4 74 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,1,1,0,0,0|2,0,0]=4 75 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,1,1,0,0,0|2,0,0]=4 76 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,1,1,0,0,0|2,0,0]=4 77 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,1,1,0,0,0|0,0,0]=2 78 B8R0.16 COC(CC(C)=O)OC HY-Y0035 [0,1,1,0,0,0|2,0,0]=4 79 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,1,1,0,0,0|2,0,0]=4 80 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,1,1,0,0,0|2,0,0]=4 81 B8R0.3 O=CC[C@H](O)[C@H](O)CO HY-77956 [0,1,1,0,0,0|1,0,0]=3 82 B8R0.6 CCCCCC(O)CC HY-W099689 [0,1,1,0,0,0|1,0,1]=4 83 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,1,1,0,0,0|1,0,1]=4 84 B8R0.7 C#CCOCCC(=O)O HY-130504 [0,1,1,0,0,0|0,0,2]=4 85 B8R0.7 CC(=O)NCCCCN HY-113100 [0,1,1,0,0,0|2,0,0]=4 86 B8R0.7 CC(=O)NCCCCN HY-W342604 [0,1,1,0,0,0|2,0,0]=4 87 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,1,1,0,0,0|1,0,0]=3 88 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,1,1,0,0,0|1,0,0]=3 89 B8R0.7 NCCOCCC(=O)O HY-140002 [0,1,1,0,0,0|1,0,0]=3 90 B8R0.7 O=C(O)CCOCCO HY-116655 [0,1,1,0,0,0|1,0,0]=3 91 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [0,1,1,0,0,0|2,0,0]=4 92 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,1,1,0,0,0|0,0,1]=3 93 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,1,1,0,0,0|1,0,1]=4 94 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,1,1,0,0,0|1,0,1]=4 95 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,1,1,0,0,0|1,0,1]=4 96 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [0,2,0,0,0,0|1,0,1]=4 98 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 HY-W038877 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.2 OCC1CCC=CO1 HY-34692 [0,0,1,1,0,0|2,0,0]=4 100 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,0,1,1,0,0|2,0,0]=4 101 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,0,1,1,0,0|1,0,1]=4 102 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,1,1,0,0|0,0,2]=4 103 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,1,1,0,0|1,0,0]=3 104 B8R1.5 NC1CCCNC1=O HY-21088 [0,0,1,1,0,0|2,0,0]=4 105 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,0,1,1,0,0|2,0,0]=4 106 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,1,1,0,0|1,0,0]=3 107 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,1,1,0,0|0,0,0]=2 108 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,1,1,0,0|0,0,0]=2 109 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,1,1,0,0|2,0,0]=4 110 B10R2.71 O=C1CC2CCC(C1)N2 HY-76030 [0,0,0,1,0,1|1,0,0]=3 111 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,0,1,0,1,0|2,0,0]=4 112 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,0,1,0,1,0|2,0,0]=4 113 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,0,1,0,1,0|2,0,0]=4 114 B6R0.3 CC(CO)C(=O)O HY-113126 [0,0,1,0,1,0|2,0,0]=4 115 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,0,1,0,1,0|1,0,1]=4 116 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,0,1,0,1,0|2,0,0]=4 117 B6R0.3 CCC(O)C(=O)O HY-113381 [0,0,1,0,1,0|2,0,0]=4 118 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,0,1,0,1,0|2,0,0]=4 119 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,0,1,0,1,0|2,0,0]=4 120 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,0,1,0,1,0|2,0,0]=4 121 B6R0.3 CON(C)C(C)=O HY-W001095 [0,0,1,0,1,0|2,0,0]=4 122 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,0,1,0,1,0|2,0,0]=4 123 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,0,1,0,1,0|2,0,0]=4 124 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,0,1,0,1,0|2,0,0]=4 125 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,0,1,0,1,0|2,0,0]=4