0 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C\C=N\N(C)C=O HY-W762013 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CNCC(=O)O HY-W012791 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|0,0,3]=4 4 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.2 C=CCCCO HY-W010639 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.3 CCC(O)CC HY-W087988 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 CC[C@H](C)CO HY-W093104 [1,0,0,0,0,0|0,0,2]=3 8 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.5 CN(CCO)C(=N)N HY-160080 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [0,1,0,0,0,0|2,0,0]=3 14 B7R1.1 O=CN1CCCC1 HY-W102648 [0,0,0,1,0,0|1,0,0]=2 15 B7R1.1 O=NN1CCCC1 HY-W141077 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.3 CC1=CCCCC1 HY-W004338 [0,0,0,1,0,0|1,0,1]=3 18 B7R1.4 CC1OCCC1=O HY-W010608 [0,0,0,1,0,0|1,0,0]=2 19 B7R1.4 NN1CCOC1=O HY-W012982 [0,0,0,1,0,0|3,0,0]=4 20 B4R0.1 CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,1]=4 21 B4R0.1 C[C@H](N)CO HY-Y0837 [2,0,0,0,0,0|2,0,0]=4 22 B4R0.1 C[C@H](O)CO HY-79334 [2,0,0,0,0,0|1,0,1]=4 23 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|1,0,1]=4 24 B4R0.2 CCCNC HY-W250110E [2,0,0,0,0,0|1,0,0]=3 25 B4R0.2 CCCNC HY-W250110I [2,0,0,0,0,0|1,0,0]=3 26 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|1,0,1]=4 27 B6R0.2 CC(C)NC(C)C HY-B2210 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|0,0,2]=4 30 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|1,0,1]=4 31 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|1,0,1]=4 32 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,2,0,0,0,0|1,0,0]=3 33 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,2,0,0,0,0|1,0,0]=3 34 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,2,0,0,0,0|1,0,0]=3 35 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,2,0,0,0,0|1,0,0]=3 36 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,2,0,0,0,0|1,0,1]=4 37 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,2,0,0,0,0|1,0,0]=3 38 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,2,0,0,0,0|1,0,0]=3 39 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,2,0,0,0,0|1,0,0]=3 40 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,2,0,0,0,0|1,0,0]=3 41 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [0,2,0,0,0,0|1,0,1]=4 42 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [0,2,0,0,0,0|1,0,1]=4 43 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [0,2,0,0,0,0|1,0,0]=3 44 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [0,2,0,0,0,0|1,0,0]=3 46 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [0,2,0,0,0,0|1,0,0]=3 47 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [0,2,0,0,0,0|1,0,0]=3 48 B8R0.12 [2H]C([2H])(CCN)C(=O)O HY-N0067S1 [0,2,0,0,0,0|2,0,0]=4 49 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 CC1CCN=C(N)S1 HY-101251 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.2 O=NN1CCOCC1 HY-131123 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [0,1,0,1,0,0|0,0,1]=3 53 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,1,0,1,0,0|1,0,0]=3 54 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,1,0,1,0,0|1,0,0]=3 55 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [0,1,0,1,0,0|1,0,0]=3 56 B8R1.11 CCN1CCCC1=O HY-B1620D [0,1,0,1,0,0|1,0,0]=3 57 B8R1.11 CCN1CCCC1=O HY-B1620K [0,1,0,1,0,0|1,0,0]=3 58 B8R2.34 C1=CC2CCC1C2 HY-W013021 [0,0,0,2,0,0|1,0,0]=3