0 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.48 CCOC(=O)\C=C\C(=O)O HY-W019696 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.1 CCOC(=O)CCCN HY-W010078 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.1 CCOC(=O)CNC=O HY-W141893 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,0,0,0,0,0|0,0,0]=1 8 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [1,0,0,0,0,0|2,0,0]=3 11 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [1,0,0,0,0,0|3,0,0]=4 12 B10R0.26 C=C(CC(=O)OCC)C(=O)O HY-W076778 [0,1,0,0,0,0|1,0,1]=3 13 B10R0.32 CCOC(=O)C(O)CC(C)C HY-W114581 [0,1,0,0,0,0|1,0,1]=3 14 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC HY-W009892 [0,1,0,0,0,0|1,0,1]=3 15 B10R0.57 CCC(C)C(=O)NCC(=O)O HY-W141919 [0,1,0,0,0,0|3,0,0]=4 16 B10R0.96 CC(=O)CC(=O)CCC(=O)O HY-W010184 [0,1,0,0,0,0|2,0,1]=4 17 B10R0.96 CC(C)CC(=O)NCC(=O)O HY-W015464 [0,1,0,0,0,0|3,0,0]=4 18 B10R0.96 CN(C)NC(=O)CCC(=O)O HY-13643 [0,1,0,0,0,0|3,0,0]=4 19 B10R0.96 CN(C)NC(=O)CCC(=O)O HY-13643R [0,1,0,0,0,0|3,0,0]=4 20 B10R0.108 CCOC(=O)CNC(=O)CN HY-W153793 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.64 CC(=O)NC1CCSC1=O HY-B0931 [0,0,0,1,0,0|1,1,0]=3 22 B10R1.64 CC(=O)N[C@H]1CCOC1=O HY-W243002 [0,0,0,1,0,0|1,0,0]=2 23 B10R1.64 NC(=O)CN1CCCC1=O HY-B0585 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.64 NC(=O)CN1CCCC1=O HY-B0585R [0,0,0,1,0,0|3,0,0]=4 25 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [0,0,0,1,0,0|3,0,0]=4 27 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,0,0,0,1,0|1,0,1]=3 28 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,0,0,0,1,0|1,0,0]=2 29 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,0,0,0,1,0|0,0,0]=1 30 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,0,0,0,1,0|0,0,2]=3 31 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,0,0,0,1,0|2,0,0]=3 32 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,0,0,0,1,0|0,0,2]=3 33 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,0,0,0,1,0|2,0,0]=3 34 B7R0.3 COC(=O)CCCBr HY-W004701 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.3 COC(=O)CCCN HY-79594 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.7 CCOC(=O)CCN HY-Y1153 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [2,0,0,0,0,0|0,0,0]=2 39 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.6 CC(C)CCC(=O)O HY-W015882 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.6 CC(C)CCC(=O)O HY-W015882R [2,0,0,0,0,0|1,0,1]=4 43 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [2,0,0,0,0,0|1,0,0]=3 45 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.6 O=C([O-])CCC(=O)[O-] HY-W105775 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [2,0,0,0,0,0|1,0,0]=3 48 B9R0.5 CCC\C=C\C(=O)OCC HY-W017567 [1,1,0,0,0,0|0,0,2]=4 49 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [1,1,0,0,0,0|0,0,2]=4 50 B9R0.35 CCCC(C)C(=O)OCC HY-W015667 [1,1,0,0,0,0|0,0,1]=3 51 B9R0.35 CCC[C@H](N)C(=O)OCC HY-75949 [1,1,0,0,0,0|0,0,1]=3 52 B9R0.46 CCCCCCC(=O)OC HY-141610 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.7 CC(C)C(=O)NCC(=O)O HY-W141928 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.7 CC(S)C(=O)NCC(=O)O HY-B0373 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.23 N[C@@H](CC(=O)O)C(=O)O[K] HY-N0666A [1,1,0,0,0,0|2,0,0]=4 58 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.24 COC(=O)CCC(=O)CN HY-A0169A [1,1,0,0,0,0|0,0,0]=2 60 B9R0.24 COC(=O)CCC(=O)OC HY-Y0808 [1,1,0,0,0,0|0,0,0]=2 61 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363 [1,1,0,0,0,0|0,0,2]=4 62 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363R [1,1,0,0,0,0|0,0,2]=4 63 B9R0.24 O=C(CCC(=O)O[Na])O[Na] HY-W015410 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.24 O=C(CCC(=O)O[Na])O[Na] HY-W094516 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.42 C=C(CC(=O)OC)C(=O)O HY-W094214 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.42 N[C@@H](CC(=O)O[Na])C(=O)O HY-W140900 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.6 CCOC(=O)C(Cl)C(C)=O HY-Y0364 [0,1,0,0,1,0|0,0,0]=2 69 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,1,0,0,1,0|1,0,1]=4 70 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O HY-W040333 [0,1,0,0,1,0|0,0,2]=4 71 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O HY-Z3384 [0,1,0,0,0,1|1,0,0]=3 72 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O HY-15121 [0,1,0,0,0,1|2,0,0]=4 73 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O HY-15121R [0,1,0,0,0,1|2,0,0]=4 74 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O HY-124228 [0,1,0,0,0,1|1,0,0]=3 75 B11R0.56 CCOC(=O)[C@H](CS)NC(C)=O HY-134495 [0,2,0,0,0,0|1,0,0]=3 76 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F HY-77026 [0,2,0,0,0,0|1,0,1]=4 77 B11R0.120 COC(=O)CCC(=O)C(=O)OC HY-44134 [0,2,0,0,0,0|2,0,0]=4 78 B11R0.120 COC(=O)CCC(=O)C(=O)OC HY-44134R [0,2,0,0,0,0|2,0,0]=4 79 B11R0.34 CC(C)(C)OC(=O)NCC(=O)O HY-Y0978 [0,2,0,0,0,0|2,0,0]=4 80 B11R0.34 CC(C)(C)OC(=O)[15NH]CC(=O)O HY-Y0978S [0,2,0,0,0,0|2,0,0]=4 81 B11R0.62 CCOC(=O)CCC(=O)OCC HY-Y0836 [0,2,0,0,0,0|0,0,0]=2 82 B11R0.62 CCOC(=O)\C=C/C(=O)OCC HY-Y1147 [0,2,0,0,0,0|0,0,2]=4 83 B11R0.62 CCO[13C](=O)[13CH2][13CH2][13C](=O)OCC HY-Y0836S [0,2,0,0,0,0|0,0,0]=2 84 B9R1.69 C[C@@H]1NC(=O)CNC1=O HY-75564 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.73 CCOC(=O)C1CNC1 HY-W052600 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.10 CC1(C)CCC(=O)CC1 HY-W002564 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.10 CC1(O)CCC(=O)CC1 HY-W036733 [1,0,0,1,0,0|0,0,2]=4 89 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [1,0,0,1,0,0|2,0,0]=4 92 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,0,0,1,1,0|0,0,2]=4 94 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,0,0,1,1,0|0,0,2]=4 95 B11R1.645 CC(=O)O[C@@H]1CC(=O)OC1=O HY-76985 [0,0,0,1,0,1|1,0,1]=4 96 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1 HY-N8491A [0,1,0,1,0,0|2,0,0]=4 97 B11R2.66 O=C1CN2C(=O)CCC2N1 HY-106856 [0,0,0,2,0,0|2,0,0]=4 98 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [1,0,0,0,1,0|1,0,0]=3 99 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,0,0,0,1,0|0,0,0]=2 100 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,0,0,0,1,0|0,0,2]=4 101 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,0,0,0,1,0|0,0,2]=4 102 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [1,0,0,0,1,0|1,0,0]=3 103 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,0,0,0,2,0|2,0,0]=4 104 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,0,0,0,2,0|0,0,0]=2 105 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,0,0,0,2,0|1,1,0]=4 106 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,0,0,0,2,0|1,0,1]=4 107 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,0,0,0,2,0|1,0,1]=4