0 B5R0.3 CCC(O)CC HY-W087988 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 CC[C@H](C)CO HY-W093104 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.3 CC[PH](=O)CC HY-W094280 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 OCC(Cl)CO HY-W585827 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 OCC(O)CS HY-W010572 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 OC[13CH](O)CO HY-B1659S2 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CC(=O)CN HY-W004850 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 CCB(O)O HY-W000933 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C[C@H](N)CO HY-Y0837 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 C[C@H](O)CO HY-79334 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 CCCNC HY-W250110E [1,0,0,0,0,0|2,0,0]=3 18 B4R0.2 CCCNC HY-W250110I [1,0,0,0,0,0|2,0,0]=3 19 B4R0.2 O=COO[Na] HY-ER013B [1,0,0,0,0,0|3,0,0]=4 20 B4R0.2 [Li]OOC=O HY-Y0292 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 C\C=N\N(C)C=O HY-W762013 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,1,0,0,0,0|0,0,2]=3 23 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,1,0,0,0,0|1,0,2]=4 24 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,1,0,0,0,0|1,0,1]=3 25 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,1,0,0,0,0|1,0,0]=2 27 B6R0.3 CN(N=O)C(N)=O HY-34758 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,1,0,0,0,0|2,0,0]=3 34 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.6 OC[C@H]1CCN1 HY-W061628 [0,0,0,1,0,0|1,0,2]=4 36 B3R0.1 NCCS HY-77591R [2,0,0,0,0,0|1,1,0]=4 37 B3R0.1 N[13CH2][13CH2]O HY-W035903S [2,0,0,0,0,0|1,0,1]=4 38 B3R0.1 O=CO[Na] HY-W088065 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.1 O=[13CH]O[Na] HY-W088065S [2,0,0,0,0,0|2,0,0]=4 40 B3R0.1 OCCO HY-Y0873 [2,0,0,0,0,0|1,0,1]=4 41 B3R0.1 OCCO HY-Y0873A3 [2,0,0,0,0,0|1,0,1]=4 42 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|1,0,0]=3 43 B3R0.2 CC(=O)O HY-P0119A [2,0,0,0,0,0|1,0,1]=4 44 B3R0.2 CC([15NH2])=O HY-Y0946S [2,0,0,0,0,0|1,0,1]=4 45 B3R0.2 CS(C)=O HY-Y0320 [2,0,0,0,0,0|1,0,0]=3 46 B3R0.2 CS(C)=O HY-Y0320C [2,0,0,0,0,0|1,0,0]=3 47 B3R0.2 CS(C)=O HY-Y0320D [2,0,0,0,0,0|1,0,0]=3 48 B5R0.1 CNCC(=O)O HY-W012791 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.1 C\C=C\C(C)=O HY-34748 [1,1,0,0,0,0|0,0,2]=4 50 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.4 CSS(C)(=O)=O HY-W004461 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.5 CC(N)[13C](=O)O HY-N2362S [1,1,0,0,0,0|1,0,0]=3 53 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [1,1,0,0,0,0|1,0,0]=3 54 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.5 C[C@H](N)C(N)=O HY-75326 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.5 O=C(O)C(I)I HY-133659 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [1,1,0,0,0,0|1,0,0]=3 63 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.2 C=CCCCO HY-W010639 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [0,2,0,0,0,0|2,0,0]=4 69 B7R0.3 CCC(=O)\C=C\C=O HY-N12851 [0,2,0,0,0,0|1,0,1]=4 70 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.5 CN(CCO)C(=N)N HY-160080 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.10 COC(=O)C(N)CCl HY-W098273 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.10 O=C(O[Na])[C@H](O)CO HY-139070A [0,2,0,0,0,0|2,0,0]=4 76 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [0,2,0,0,0,0|1,0,1]=4 78 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,2,0,0,0,0|1,0,1]=4 79 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,2,0,0,0,0|1,0,0]=3 81 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,2,0,0,0,0|1,0,0]=3 82 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,2,0,0,0,0|1,0,0]=3 84 B5R1.2 C[C@H]1CCN1 HY-35279 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.1 O=CN1CCCC1 HY-W102648 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.1 O=NN1CCCC1 HY-W141077 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,1,0,1,0,0|1,0,1]=4 89 B7R1.3 CC1=CCCCC1 HY-W004338 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|0,0,0]=2 91 B7R1.4 NN1CCOC1=O HY-W012982 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.19 NC1(C(=O)O)CC1 HY-30004 [0,1,0,1,0,0|1,0,0]=3 93 B7R1.19 NC1(C(=O)O)CC1 HY-30004R [0,1,0,1,0,0|1,0,0]=3