0 B4R0.1 CC(=O)CN HY-W004850 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 CCB(O)O HY-W000933 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 C[C@H](N)CO HY-Y0837 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 C[C@H](O)CO HY-79334 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 NNC(N)=[Se] HY-128222 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [0,0,0,0,0,0|2,0,1]=3 10 B3R0.1 NCCS HY-77591R [1,0,0,0,0,0|1,0,0]=2 11 B3R0.1 N[13CH2][13CH2]O HY-W035903S [1,0,0,0,0,0|1,0,0]=2 12 B3R0.1 OCCO HY-Y0873 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.1 OCCO HY-Y0873A3 [1,0,0,0,0,0|2,0,0]=3 14 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [1,0,0,0,0,0|2,0,1]=4 15 B3R0.2 BrC(Br)I HY-133641 [1,0,0,0,0,0|3,0,0]=4 16 B3R0.2 CC(=O)O HY-P0119A [1,0,0,0,0,0|2,0,1]=4 17 B3R0.2 CC([15NH2])=O HY-Y0946S [1,0,0,0,0,0|1,0,1]=3 18 B3R0.2 CS(C)=O HY-Y0320 [1,0,0,0,0,0|2,0,0]=3 19 B3R0.2 CS(C)=O HY-Y0320C [1,0,0,0,0,0|2,0,0]=3 20 B3R0.2 CS(C)=O HY-Y0320D [1,0,0,0,0,0|2,0,0]=3 21 B3R0.2 ClC(Cl)I HY-133642 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CNCC(=O)O HY-W012791 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.1 NOCC(=O)O HY-107994A [0,1,0,0,0,0|2,0,1]=4 24 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.3 CCC(O)CC HY-W087988 [0,1,0,0,0,0|2,0,0]=3 26 B5R0.3 CC[C@H](C)CO HY-W093104 [0,1,0,0,0,0|1,0,0]=2 27 B5R0.3 CC[PH](=O)CC HY-W094280 [0,1,0,0,0,0|3,0,0]=4 28 B5R0.3 OCC(Cl)CO HY-W585827 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.3 OCC(O)CS HY-W010572 [0,1,0,0,0,0|2,0,0]=3 30 B5R0.3 OC[13CH](O)CO HY-B1659S2 [0,1,0,0,0,0|2,0,0]=3 31 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,1,0,0,0,0|2,0,0]=3 32 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.4 CO[Si](C)(C)C HY-104035H [0,1,0,0,0,0|2,1,0]=4 34 B5R0.5 CC(N)[13C](=O)O HY-N2362S [0,1,0,0,0,0|2,0,1]=4 35 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.5 C[C@H](N)C(N)=O HY-75326 [0,1,0,0,0,0|1,0,1]=3 38 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [0,1,0,0,0,0|2,0,1]=4 41 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,1,0,0,0,0|2,0,1]=4 44 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,1,0,0,0,0|2,0,1]=4 46 B5R1.2 C[C@H]1CCN1 HY-35279 [0,0,0,1,0,0|2,0,0]=3 47 B2R0.1 [15NH2]C=O HY-Y0842S3 [2,0,0,0,0,0|1,0,1]=4 48 B2R0.1 [2H]OC HY-W025916 [2,0,0,0,0,0|2,0,0]=4 49 B2R0.1 [3H]CC HY-P99179 [2,0,0,0,0,0|1,0,0]=3 50 B4R0.2 CCCNC HY-W250110E [1,1,0,0,0,0|0,0,0]=2 51 B4R0.2 CCCNC HY-W250110I [1,1,0,0,0,0|0,0,0]=2 52 B4R0.3 C[N+](C)(C)C HY-W012954B [1,1,0,0,0,0|1,0,0]=3 53 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,2,0,0,0,0|1,0,0]=3 54 B6R0.2 CC(C)NC(C)C HY-B2210 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,2,0,0,0,0|0,0,0]=2 56 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.5 C[N+](C)(C)[13CH2][13CH2]O HY-B1337S5 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.7 CC(C)(Br)C(=O)Br HY-Y0238 [0,2,0,0,0,0|1,0,1]=4 59 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [0,1,0,1,0,0|1,0,0]=3 60 B6R1.6 OC[C@H]1CCN1 HY-W061628 [0,1,0,1,0,0|1,0,0]=3