0 B5R0.3 CCC(O)CC HY-W087988 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.3 CC[C@H](C)CO HY-W093104 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.3 CC[PH](=O)CC HY-W094280 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 OCC(Cl)CO HY-W585827 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 OCC(O)CS HY-W010572 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 OC[13CH](O)CO HY-B1659S2 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=4 10 B4R0.1 CSC(=N)N HY-79457 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 C[C@H](N)CO HY-Y0837 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.1 C[C@H](O)CO HY-79334 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [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 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,1,0,0,0,0|2,0,1]=4 22 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,1,0,0,0,0|2,0,1]=4 23 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [0,0,0,1,0,0|1,0,0]=2 24 B6R1.6 OC[C@H]1CCN1 HY-W061628 [0,0,0,1,0,0|2,0,0]=3 25 B3R0.1 NCCS HY-77591R [2,0,0,0,0,0|1,0,0]=3 26 B3R0.1 N[13CH2][13CH2]O HY-W035903S [2,0,0,0,0,0|1,0,0]=3 27 B3R0.1 OCCO HY-Y0873 [2,0,0,0,0,0|2,0,0]=4 28 B3R0.1 OCCO HY-Y0873A3 [2,0,0,0,0,0|2,0,0]=4 29 B3R0.2 CC([15NH2])=O HY-Y0946S [2,0,0,0,0,0|1,0,1]=4 30 B3R0.2 CS(C)=O HY-Y0320 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.2 CS(C)=O HY-Y0320C [2,0,0,0,0,0|2,0,0]=4 32 B3R0.2 CS(C)=O HY-Y0320D [2,0,0,0,0,0|2,0,0]=4 33 B5R0.4 CO[Si](C)(C)C HY-104035H [1,1,0,0,0,0|1,1,0]=4 34 B5R0.5 CC(N)[13C](=O)O HY-N2362S [1,1,0,0,0,0|1,0,1]=4 35 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.5 C[C@H](N)C(N)=O HY-75326 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [1,1,0,0,0,0|1,0,1]=4 39 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.2 C=CCCCO HY-W010639 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.2 NC[C@@H](F)C[PH](=O)O HY-10061B [0,2,0,0,0,0|2,0,0]=4 48 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.5 CN(CCO)C(=N)N HY-160080 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.7 CCOC(=O)CNC HY-Y1144 [0,2,0,0,0,0|1,0,1]=4 52 B7R0.11 C[N+](C)(CI)CCO HY-W130177 [0,2,0,0,0,0|2,0,0]=4 53 B5R1.2 C[C@H]1CCN1 HY-35279 [1,0,0,1,0,0|0,0,0]=2 54 B5R1.1 C1CSCN1 HY-I0144 [1,0,0,1,0,0|1,0,0]=3 55 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [0,1,0,1,0,0|0,0,0]=2 56 B7R1.3 CC1=CCCCC1 HY-W004338 [0,1,0,1,0,0|1,0,1]=4 57 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|1,0,1]=4