0 B8R1.7 O=C(O)C1=CC=CN1 HY-W001963 [0,0,0,0,0,0|0,0,4]=4 1 B8R1.7 O=C(O)C1=NN=CN1 HY-107870 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,0,0,0,0,0|0,0,0]=0 4 B7R1.1 O=CN1CCCC1 HY-W102648 [1,0,0,0,0,0|2,0,0]=3 5 B7R1.1 O=NN1CCCC1 HY-W141077 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.11 O=C(O[Na])C1=NCCC1 HY-138354A [0,1,0,0,0,0|0,0,2]=3 8 B9R1.163 C[C@@]1(C(=O)O)CCCN1 HY-76962 [0,1,0,0,0,0|0,0,0]=1 9 B7R0.4 NCCNCC(=O)O HY-W012883 [0,0,1,0,0,0|1,0,0]=2 10 B7R0.4 O=C(O)COCCO HY-W591338A [0,0,1,0,0,0|2,0,0]=3 11 B7R0.4 O=C(O)COCCO HY-W591338B [0,0,1,0,0,0|2,0,0]=3 12 B7R0.4 O=C(O)COCCS HY-140728 [0,0,1,0,0,0|2,0,0]=3 13 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,0,1,0,0,0|0,0,2]=3 14 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,0,1,0,0,0|1,0,0]=2 15 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,0,1,0,0,0|1,0,0]=2 16 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669 [0,0,0,0,0,1|0,0,0]=1 17 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,0,1,0,0,0|0,0,2]=4 18 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [1,0,1,0,0,0|0,0,2]=4 19 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,0,1,0,0,0|1,0,0]=3 20 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,0,1,0,0,0|1,0,0]=3 21 B6R0.3 CNC(C)C(=O)O HY-W010591 [1,0,1,0,0,0|0,0,0]=2 22 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [1,0,1,0,0,0|1,0,0]=3 23 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [1,0,1,0,0,0|1,0,0]=3 24 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [1,0,1,0,0,0|1,0,0]=3 25 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [1,0,1,0,0,0|1,0,0]=3 26 B8R0.7 C#CCCCCC(=O)O HY-34643 [0,1,1,0,0,0|1,0,0]=3 27 B8R0.7 CC(=O)NCCCCN HY-W342604R [0,1,1,0,0,0|1,0,0]=3 28 B8R0.7 CCCC\C=C\C(=O)O HY-W107869 [0,1,1,0,0,0|1,0,1]=4 29 B8R0.7 NCCCCCC(=O)O HY-B0236 [0,1,1,0,0,0|0,0,0]=2 30 B8R0.7 NCCCNCC(=O)O HY-W077223 [0,1,1,0,0,0|0,0,0]=2 31 B8R0.7 O=C(O)CCCCCO HY-W105750 [0,1,1,0,0,0|1,0,0]=3 32 B8R0.7 O=C(O)CCOCCBr HY-130425 [0,1,1,0,0,0|1,0,0]=3 33 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [0,1,1,0,0,0|1,0,1]=4 34 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [0,1,1,0,0,0|1,0,1]=4 35 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [0,1,1,0,0,0|1,0,0]=3 36 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [0,1,1,0,0,0|1,0,0]=3 37 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [0,1,1,0,0,0|0,0,0]=2 38 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [0,1,1,0,0,0|2,0,0]=4 39 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [0,1,1,0,0,0|2,0,0]=4 40 B8R0.9 C=CC(N)CCC(=O)O HY-15399 [0,1,1,0,0,0|1,0,1]=4 41 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [0,1,1,0,0,0|0,0,1]=3 42 B8R0.9 NCC(=O)NCC(=O)O HY-D0889 [0,1,1,0,0,0|1,0,1]=4 43 B8R0.21 NCCCCP(=O)(O)O HY-W018502 [0,1,1,0,0,0|1,0,0]=3 44 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,1,1,0,0,0|0,0,0]=2 45 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,1,1,0,0,0|0,0,0]=2 46 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,1,1,0,0,0|0,0,0]=2 47 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,1,1,0,0,0|0,0,0]=2 48 B8R0.12 [2H]C([2H])(CCN)C(=O)O HY-N0067S1 [0,1,1,0,0,0|2,0,0]=4 49 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,1,1,0,0,0|0,0,1]=3 50 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,1,1,0,0,0|1,0,0]=3 51 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,1,1,0,0,0|1,0,0]=3 52 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,1,1,0,0,0|0,0,0]=2 53 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378R [0,1,1,0,0,0|1,0,1]=4 54 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W017444 [0,1,1,0,0,0|1,0,1]=4 55 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667 [0,1,1,0,0,0|1,0,1]=4 56 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666 [0,1,1,0,0,0|1,0,1]=4 57 B8R0.23 N[C@@H](CC([15NH2])=O)C(=O)O HY-W017443S1 [0,1,1,0,0,0|1,0,1]=4 58 B8R0.23 N[C@@H](C[13C](=O)O)[13C](=O)O HY-N0666S6 [0,1,1,0,0,0|1,0,1]=4 59 B8R0.23 N[C@H](CC(=O)O)C(=O)O HY-42068 [0,1,1,0,0,0|1,0,1]=4 60 B8R0.23 [13CH2]([13C](=O)O)[13C@H](N)[13C](=O)O HY-N0666S4 [0,1,1,0,0,0|1,0,1]=4 61 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,1,1,0,0,0|0,0,0]=2 62 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O HY-N0666S3 [0,1,1,0,0,0|1,0,1]=4 63 B8R0.18 CN[C@H](C(=O)O)C(C)C HY-20561 [0,1,1,0,0,0|0,0,0]=2 64 B10R1.15 COC(=O)C1=CCCNC1 HY-116490 [0,1,0,0,0,1|0,0,2]=4 65 B10R1.15 COC(=O)C1=CCCNC1 HY-N5016 [0,1,0,0,0,1|0,0,2]=4 66 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368A [0,1,0,0,0,1|0,0,2]=4 67 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368B [0,1,0,0,0,1|0,0,2]=4 68 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 HY-33259 [0,1,0,0,0,1|1,0,0]=3 69 B10R1.23 [C@@H](N)(C(=O)O)C1CCCC1 HY-W008530 [0,1,0,0,0,1|1,0,0]=3 70 B10R1.14 COC(=O)C1CCC(=O)N1 HY-32290 [0,2,0,0,0,0|0,0,1]=3 71 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 HY-32291 [0,2,0,0,0,0|0,0,1]=3 72 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 HY-W016429 [0,2,0,0,0,0|0,0,0]=2 73 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 HY-76105 [0,2,0,0,0,0|0,0,0]=2 74 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 HY-W006629 [0,2,0,0,0,0|0,0,0]=2 75 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 HY-75870 [0,2,0,0,0,0|0,0,0]=2 76 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [0,0,1,1,0,0|0,0,0]=2 77 B8R1.63 COC1(C(=O)O)CC1 HY-W046704 [0,0,1,1,0,0|1,0,0]=3 78 B8R2.34 C1=CC2CCC1C2 HY-W013021 [1,0,0,1,0,0|2,0,0]=4 79 B6R1.6 OC[C@H]1CCN1 HY-W061628 [1,0,0,0,1,0|0,0,1]=3