0 B9R0.7 C=C(CCC(=O)O)C(=O)O 2321-1-09 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.7 CC(=O)OCC(N)C(=O)O 4157-1-X8 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.7 CC(=O)SCC(C)C(=O)O 6166-1-X3 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [0,0,0,0,0,0|1,0,1]=2 4 B9R0.7 CC(N)C(=O)NCC(=O)O 4157-1-21 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [0,0,0,0,0,0|1,0,1]=2 6 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 4157-1-R7 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 4157-1-W3 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.7 NC(CCC(=O)O)C(=O)O 4157-1-17 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 4157-5-S4 [0,0,0,0,0,0|1,0,1]=2 11 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 4157-1-R4 [0,0,0,0,0,0|1,0,1]=2 12 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] 2129-1-69 [0,0,0,0,0,0|0,0,2]=2 13 B9R0.7 [C@@H](C)(CSC(C)=O)C(=O)O 6166-1-S1 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O 4157-1-S4 [0,0,0,0,0,0|1,0,1]=2 15 B8R0.9 COC(=O)CCC(=O)Cl 2123-5-1D [1,0,0,0,0,0|3,0,0]=4 16 B8R0.9 COC(=O)CCC(N)=O 4148-1-1L [1,0,0,0,0,0|3,0,0]=4 17 B8R0.28 C=C(C)CCCC(=O)O 2321-1-18 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [1,0,0,0,0,0|1,0,1]=3 19 B8R0.28 NC(=O)COCC(=O)O 4148-1-23 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.28 O=C(Cl)CCCC(=O)Cl 2126-5-X0 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.28 O=C(O)CCCC(=O)O 2121-1-25 [1,0,0,0,0,0|0,0,1]=2 22 B8R0.28 O=C(O)CNCC(=O)O 4157-1-48 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.28 O=C(O)COCC(=O)O 2121-1-0B [1,0,0,0,0,0|1,0,1]=3 24 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-10 [1,0,0,0,0,0|0,0,1]=2 25 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-19 [1,0,0,0,0,0|0,0,1]=2 26 B10R0.43 NC(=O)CCC(N)(F)C(=O)O 4157-3-00 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.57 COC(=O)C(C)CCC(=O)O 2123-1-16 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 4157-1-S0 [0,1,0,0,0,0|1,0,1]=3 29 B10R0.82 COC(=O)CC[C@H](N)C(N)=O 4158-5-S1 [0,1,0,0,0,0|2,0,1]=4 30 B10R0.93 NC(=O)[C@@H](F)C[C@H](N)C(=O)O 4157-3-29 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.93 NC(=O)[C@@H](N)C[C@@H](F)C(=O)O 4157-3-31 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.93 NC(=O)[C@@H](N)C[C@H](F)C(=O)O 4157-1-06 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O 4157-3-0B [0,1,0,0,0,0|2,0,1]=4 34 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O 4157-3-40 [0,1,0,0,0,0|2,0,1]=4 35 B10R0.93 N[C@@H](C[C@@H](F)C(=O)O)C(=O)O 4157-3-10 [0,1,0,0,0,0|1,0,1]=3 36 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O 4157-3-11 [0,1,0,0,0,0|1,0,1]=3 37 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O 4157-1-0L [0,1,0,0,0,0|1,0,1]=3 38 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O 4157-1-0Q [0,1,0,0,0,0|1,0,1]=3 39 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O 2121-9-12 [0,1,0,0,0,0|1,0,1]=3 40 B10R1.13 O=C1C=CC(C(=O)O)=CO1 2H25-1-34 [0,0,0,1,0,0|1,0,2]=4 41 B10R1.13 O=C1CCC(C(=O)O)=NN1 4H29-1-Z6 [0,0,0,1,0,0|2,0,0]=3 42 B10R1.13 O=C1CCC(C(=O)O)CN1 4H58-1-A5 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.58 CN1CC(C(=O)O)CC1=O 4H21-1-W6 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 4H29-3-35 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@H]1F 4H29-3-36 [0,0,0,1,0,0|2,0,1]=4 46 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,0,0,0,1,0|2,0,1]=4 47 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,0,0,0,1,0|1,0,1]=3 48 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,0,0,0,1,0|1,0,1]=3 49 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,0,0,0,1,0|1,0,1]=3 50 B8R0.23 C\C(=C\C(=O)O)C(=O)O 2321-1-Z3 [0,0,0,0,1,0|1,0,1]=3 51 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,0,0,0,1,0|2,0,1]=4 52 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,0,0,0,1,0|2,0,1]=4 53 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,0,0,0,1,0|1,0,1]=3 54 B8R0.23 N[C@@H](CS(=O)O)C(=O)O 8157-1-02 [0,0,0,0,1,0|2,0,1]=4 55 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,0,0,0,1,0|0,1,1]=3 56 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,0,0,0,1,0|1,0,1]=3 57 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,0,0,0,1,0|0,0,2]=3 58 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O 2121-1-X8 [0,0,0,0,0,1|1,0,1]=3 59 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O 4157-1-RE [0,0,0,0,0,1|1,0,1]=3 60 B7R0.3 COC(=O)CCC=O 2123-1-29 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.4 C=CCCCC(=O)O 2321-1-0P [2,0,0,0,0,0|1,0,1]=4 62 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.5 NC(CCO)C(=O)O 4157-1-0D [2,0,0,0,0,0|1,0,1]=4 64 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [2,0,0,0,0,0|1,0,0]=3 65 B7R0.6 O=C(Cl)CCC(=O)Cl 2116-5-18 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [2,0,0,0,0,0|0,0,0]=2 67 B7R0.6 O=C([O-])CCC(=O)[O-] 2122-1-00 [2,0,0,0,0,0|0,0,2]=4 68 B9R0.24 COC(=O)CCC(=O)CN 4158-5-00 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.24 COC(=O)CCC(=O)OC 2123-1-0Z [1,1,0,0,0,0|2,0,0]=4 70 B9R0.48 CCOC(=O)CCC(=O)O 2123-1-0C [1,1,0,0,0,0|1,0,1]=4 71 B9R0.1 COC(=O)CCCC(=O)Cl 2123-5-0Y [1,1,0,0,0,0|1,0,1]=4 72 B9R0.1 COC(=O)CCCC(=O)O 2123-1-0N [1,1,0,0,0,0|0,0,1]=3 73 B9R0.1 O=C(O)CCNC(=O)CCl 4158-5-32 [1,1,0,0,0,0|2,0,0]=4 74 B9R0.53 CC(CC(=O)O)CC(=O)O 2121-1-28 [1,1,0,0,0,0|0,0,1]=3 75 B9R0.53 CN(CC(=O)O)CC(=O)O 4157-1-43 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.53 O=C(O)CC(=O)CC(=O)O 2129-1-25 [1,1,0,0,0,0|0,0,2]=4 77 B9R0.56 O=C(O)CCCP(=O)(O)O 6177-1-26 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.39 CCC(CC(=O)O)C(=O)O 2121-1-21 [0,1,0,0,1,0|1,0,1]=4 79 B9R0.79 CC(C(=O)O)C(C)C(=O)O 2121-1-0H [0,1,0,0,1,0|1,0,1]=4 80 B9R0.79 NC(C(=O)O)C(N)C(=O)O 4157-1-0M [0,1,0,0,1,0|1,0,1]=4 81 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O 4157-1-0S [0,1,0,0,1,0|0,0,2]=4 82 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 4157-1-42 [0,1,0,0,1,0|1,0,1]=4 83 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O 2121-9-09 [0,1,0,0,1,0|1,0,1]=4 84 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O 4157-5-0C [0,1,0,0,0,1|1,0,1]=4 85 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O 4157-5-0D [0,1,0,0,0,1|1,0,1]=4 86 B11R0.120 COC(=O)CCC(=O)C(=O)OC 2129-1-43 [0,2,0,0,0,0|0,0,0]=2 87 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC 4158-1-SC [0,2,0,0,0,0|1,0,1]=4 88 B11R0.120 COC(=O)\C=C\C(=O)C(=O)OC 2323-1-14 [0,2,0,0,0,0|0,0,2]=4 89 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.35 O=C1CCC(C(=O)O)N1 4H58-1-009 [1,0,0,1,0,0|1,0,1]=4 91 B11R1.645 O=C(O)CC1=CC(=O)OC1=O 2H26-1-X7 [0,0,0,1,0,1|1,0,1]=4 92 B11R1.645 O=C(O)CC1CC(=O)OC1=O 2H26-1-13 [0,0,0,1,0,1|1,0,0]=3 93 B11R1.645 O=C(O)CC1SC(=O)NC1=O 8H70-1-52 [0,0,0,1,0,1|0,1,0]=3 94 B11R1.704 [C@H]1([C@H](N)C(=O)O)C[C@H]1C(=O)O 4257-1-0D [0,0,0,1,0,1|1,0,1]=4 95 B7R0.2 CCC(=O)CC(=O)O 2129-1-1N [1,0,0,0,1,0|1,0,1]=4 96 B7R0.2 COC(=O)CC(=O)O 2123-1-85 [1,0,0,0,1,0|2,0,0]=4 97 B7R0.16 CC(C(=O)O)C(=O)O 2121-1-0M [0,0,0,0,2,0|1,0,1]=4 98 B7R0.16 O=C(O)C(F)C(=O)O 2121-3-1D [0,0,0,0,2,0|1,0,1]=4 99 B9R0.55 CC(=O)NCCCC(=O)O 4158-1-15 [1,0,0,0,0,1|1,0,1]=4 100 B9R0.55 O=C(O)C\C=C\CC(=O)O 2321-1-0J [1,0,0,0,0,1|0,0,1]=3 101 B9R0.55 O=C(O)\C=C\C=C\C(=O)O 2321-1-0T [1,0,0,0,0,1|0,0,2]=4 102 B9R0.55 O=C(O)\C=C\CCC(=O)O 2321-1-23 [1,0,0,0,0,1|0,0,0]=2 103 B11R0.85 O=C(O)CSC(=S)SCC(=O)O 6167-1-01 [0,0,0,0,0,2|1,1,0]=4 104 B11R0.85 O=C(O)\C=C\C(=O)\C=C\C(=O)O 2329-1-X1 [0,0,0,0,0,2|0,0,2]=4 105 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O 8166-1-R0 [0,0,0,0,0,2|1,0,1]=4