0 B9R1.35 CC(=O)C1CCC(=O)O1 2H25-1-36 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC1=CC=C(C(=O)O)N1 4H21-1-FM [0,0,0,0,0,0|1,0,3]=4 2 B9R1.35 CC1NC(C(=O)O)CS1 8H21-1-72 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 CN1CCC(C(=O)O)C1 4H21-5-0C [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CN1CC[C@@H](C(=O)O)C1 4H58-5-3S [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-1-S3 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-5-0M [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 NC(=O)C1CNC(=O)C1 4H48-1-00Y [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 NC1CCC(C(=O)O)C1 4257-5-04 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H57-5-X2 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H58-1-JN [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 4257-1-09 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H21-3-24 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H56-7-63 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 4H58-3-X7 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H58-5-4C [0,0,0,0,0,0|2,0,2]=4 16 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 4H58-3-X5 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H29-1-26 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.35 O=C1CCC(C(=O)O)N1 4H58-1-009 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.35 O=C1CN[C@H](C(=O)O)C1 4H33-9-0A [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 O=C1NC(C(=O)O)CO1 4H58-1-346 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.35 O=C1NCC(C(=O)O)N1 4H29-1-1Q [0,0,0,0,0,0|1,0,0]=1 23 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 4H58-1-R15 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.35 O=C1N[C@H](C(=O)O)CO1 4H58-1-S15 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.1 C=CC1COC(=O)O1 2H28-1-22 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 C=C[C@H]1COC(=O)C1 2H25-1-60 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 CCC1CCC(=O)O1 2H25-1-20 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 N#CC1CCC(=O)C1 4237-1-0P [1,0,0,0,0,0|2,0,1]=4 29 B8R1.1 NCC1CCC(=O)N1 4H48-1-QQ [1,0,0,0,0,0|1,0,1]=3 30 B8R1.1 O=C1CC(CO)CN1 4H48-1-93 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.1 O=C1CC[C@@H](CBr)N1 4H48-9-S0 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.1 O=C1CC[C@@H](CO)N1 4H48-1-KC [1,0,0,0,0,0|0,0,1]=2 33 B8R1.1 O=C1CC[C@@H](CO)O1 2H20-1-01 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.1 O=C1CC[C@H](CBr)N1 4H48-9-R0 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.1 O=C1NC(CO)CO1 4H56-1-0NV [1,0,0,0,0,0|1,0,1]=3 36 B8R1.1 O=C1NC[C@H](CO)O1 4H56-1-RP [1,0,0,0,0,0|2,0,1]=4 37 B8R1.1 O=C1N[C@@H](CO)CO1 4H56-1-S59 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.1 O=C1N[C@H](CO)CO1 4H56-1-R59 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.7 CC(=O)C1CCCC1 2217-1-0X [1,0,0,0,0,0|2,0,1]=4 40 B8R1.7 CC(=O)C1CCNC1 4H17-5-3H [1,0,0,0,0,0|3,0,0]=4 41 B8R1.7 NC(=O)C1CC=CC1 4448-1-01 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.7 NC(=O)C1CCNC1 4H48-5-72 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 NC(=O)C1CCOC1 4H48-1-AP [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 NC(=O)[C@@H]1CCNC1 4H48-5-R1 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 O=C(O)C1C=CCN1 4H21-1-6F [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 O=C(O)C1CCCC1 2221-1-Y5 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.7 O=C(O)C1CCCN1 4H58-1-010 [1,0,0,0,0,0|0,0,1]=2 48 B8R1.7 O=C(O)C1CCCO1 2H21-1-26 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.7 O=C(O)[C@@H]1CCNC1 4H21-1-R5 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.7 O=C(O)[C@@H]1CCOC1 2H21-1-R2 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.7 [C@@H]1(C(=O)O)CCCN1 4H21-1-0P [1,0,0,0,0,0|0,0,1]=2 52 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 4H56-1-SC [0,1,0,0,0,0|3,0,0]=4 53 B10R1.14 COC(=O)C1CNC(=O)C1 4H29-1-3A [0,1,0,0,0,0|2,0,0]=3 54 B10R1.14 COC(=O)C1COC(=O)N1 4H58-1-344 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.14 COC(=O)C1CSC(N)=N1 8H70-1-9M [0,1,0,0,0,0|2,0,1]=4 56 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 4H58-1-S14 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 2229-1-92 [0,1,0,0,0,0|1,0,2]=4 58 B10R1.14 COC(=O)[C@H]1COC(=O)N1 4H58-1-R14 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.31 O=CC1=CC=C(C(=O)O)N1 4H21-1-LH [0,1,0,0,0,0|0,0,3]=4 60 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 4H48-3-S0 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.58 CN1CC(C(=O)O)CC1=O 4H21-1-W6 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.58 O=C(O)C1CC(Br)C(Br)C1 2221-9-07 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 4H29-3-35 [0,1,0,0,0,0|0,0,0]=1 64 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@H]1F 4H29-3-36 [0,1,0,0,0,0|0,0,0]=1 65 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 4357-1-02 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O 4H56-1-GQ [0,1,0,0,0,0|0,0,0]=1 67 B10R1.194 CN1CCC(C(=O)O)C1=O 4H58-1-00L [0,1,0,0,0,0|3,0,0]=4 68 B10R1.359 CC1(C)CCC(C(=O)O)C1 2221-1-45 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.359 O=C(O)C1CCC(F)(F)C1 2221-3-10 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.359 O=C(O)[C@@H]1CCC(F)(F)C1 2221-3-R0 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 2221-3-S0 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.8 C#CCC[C@@H](N)C(=O)O 4557-1-R1 [0,0,1,0,0,0|1,0,1]=3 73 B8R0.8 CCCCC(Br)C(=O)O 2121-9-16 [0,0,1,0,0,0|2,0,1]=4 74 B8R0.8 CCCCC(C)C(=O)O 2121-1-0S [0,0,1,0,0,0|2,0,1]=4 75 B8R0.8 COCC[C@H](N)C(=O)O 4157-5-S8 [0,0,1,0,0,0|2,0,0]=3 76 B8R0.8 CSCCC(N)C(=O)O 8166-1-00 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.8 NOCC[C@H](N)C(=O)O 4157-1-08 [0,0,1,0,0,0|2,0,0]=3 78 B8R0.8 [C@H](N)(CCSC)C(=O)O 8166-1-S5 [0,0,1,0,0,0|2,0,0]=3 79 B8R0.9 CNC(=O)\C=C/C(=O)O 4348-1-17 [0,0,1,0,0,0|2,0,1]=4 80 B8R0.9 COC(=O)CCC(=O)Cl 2123-5-1D [0,0,1,0,0,0|3,0,0]=4 81 B8R0.9 COC(=O)CCC(N)=O 4148-1-1L [0,0,1,0,0,0|3,0,0]=4 82 B8R0.9 COC(=O)\C=C\C(=O)O 2323-1-35 [0,0,1,0,0,0|2,0,1]=4 83 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,0,1,0,0,0|1,0,0]=2 84 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,0,1,0,0,0|1,0,0]=2 85 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,0,1,0,0,0|2,0,0]=3 86 B8R0.23 CS(=O)C[C@H](N)C(=O)O 8162-1-R0 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,0,1,0,0,0|2,0,0]=3 88 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,0,1,0,0,0|2,0,0]=3 89 B8R0.23 C\C(=C\C(=O)O)C(=O)O 2321-1-Z3 [0,0,1,0,0,0|2,0,1]=4 90 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,0,1,0,0,0|3,0,0]=4 93 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,0,1,0,0,0|3,0,0]=4 95 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,0,1,0,0,0|3,0,0]=4 96 B8R0.28 C=C(C)CCCC(=O)O 2321-1-18 [0,0,1,0,0,0|2,0,0]=3 97 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [0,0,1,0,0,0|1,0,0]=2 98 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [0,0,1,0,0,0|2,0,1]=4 99 B8R0.28 NC(=O)CCC[N+](=O)[O-] 4148-1-46 [0,0,1,0,0,0|1,0,1]=3 100 B8R0.28 NC(=O)COCC(=O)O 4148-1-23 [0,0,1,0,0,0|1,0,0]=2 101 B8R0.28 O=C(Cl)CCCC(=O)Cl 2126-5-X0 [0,0,1,0,0,0|2,0,0]=3 102 B8R0.28 O=C(O)CCCC(=O)O 2121-1-25 [0,0,1,0,0,0|1,0,0]=2 103 B8R0.28 O=C(O)CNCC(=O)O 4157-1-48 [0,0,1,0,0,0|2,0,0]=3 104 B8R0.28 O=C(O)COCC(=O)O 2121-1-0B [0,0,1,0,0,0|2,0,0]=3 105 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-10 [0,0,1,0,0,0|1,0,2]=4 106 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-19 [0,0,1,0,0,0|1,0,2]=4 107 B8R1.23 C=C1CC(C(=O)Cl)C1 2316-5-04 [0,0,0,0,1,0|3,0,0]=4 108 B8R1.23 CC1CC(C(=O)O)C1 2221-1-0B [0,0,0,0,1,0|2,0,1]=4 109 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 2221-1-29 [0,0,0,0,1,0|2,0,1]=4 110 B8R1.23 NC1CC(C(=O)O)C1 4257-1-29 [0,0,0,0,1,0|2,0,1]=4 111 B8R1.23 NC1CC(C(=O)O)C1 4257-5-14 [0,0,0,0,1,0|2,0,1]=4 112 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-5-01 [0,0,0,0,1,0|2,0,1]=4 113 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 4257-5-07 [0,0,0,0,1,0|2,0,1]=4 114 B8R1.23 O=C(O)C1CC(F)C1 2221-3-09 [0,0,0,0,1,0|2,0,1]=4 115 B8R1.23 O=C(O)C1CC(O)C1 2229-1-89 [0,0,0,0,1,0|1,0,2]=4 116 B10R1.13 CC1CCC(C(N)=O)CN1 4H48-1-A6 [0,0,0,0,0,1|2,0,1]=4 117 B10R1.13 NC1CCC(C(=O)O)CC1 4257-5-0B [0,0,0,0,0,1|2,0,1]=4 118 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 4257-5-X0 [0,0,0,0,0,1|2,0,1]=4 119 B10R1.13 O=C(O)C1CCC(Cl)CC1 2221-5-00 [0,0,0,0,0,1|2,0,1]=4 120 B10R1.13 O=C(O)C1CCC(O)CC1 2221-1-1M [0,0,0,0,0,1|1,0,2]=4 121 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 4H57-5-17 [0,0,0,0,0,1|0,0,2]=3 122 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 2229-1-1G [0,0,0,0,0,1|1,0,2]=4 123 B10R1.13 O=C1CCC(C(=O)O)=NN1 4H29-1-Z6 [0,0,0,0,0,1|0,0,1]=2 124 B10R1.13 O=C1CCC(C(=O)O)CN1 4H58-1-A5 [0,0,0,0,0,1|0,0,0]=1 125 B10R1.54 NC1=NC(CC(=O)O)CS1 8H70-1-9F [0,0,0,0,0,1|2,0,1]=4 126 B10R1.54 O=C(O)CC1CCC(=O)O1 2H21-1-09 [0,0,0,0,0,1|1,0,0]=2 127 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 4254-1-04 [0,0,0,0,0,1|2,0,1]=4 128 B10R1.113 CC1CCCC(C(=O)O)N1 4H21-5-44 [0,0,0,0,0,1|1,0,1]=3 129 B10R1.113 CC1COCC(C(=O)O)N1 4H21-5-43 [0,0,0,0,0,1|1,0,1]=3 130 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-5-Z1 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 4H21-1-R0 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.113 CN1CCC[C@H](C(=O)O)C1 4H21-1-S0 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.113 NC1CCCC(C(=O)O)C1 4257-1-X1 [0,0,0,0,0,1|2,0,1]=4 134 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-5-0A [0,0,0,0,0,1|2,0,1]=4 135 B10R1.113 O=C(O)C1CCCC(O)C1 2229-1-0Z [0,0,0,0,0,1|1,0,2]=4 136 B10R1.113 O=C(O)C1CS(=O)CCN1 8H65-5-02 [0,0,0,0,0,1|2,0,0]=3 137 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 4H29-5-0A [0,0,0,0,0,1|1,0,2]=4 138 B10R1.113 O=C1C=CCC(C(=O)O)C1 2429-1-03 [0,0,0,0,0,1|1,0,1]=3 139 B10R1.113 O=C1CC(C(=O)O)CCN1 4H58-1-C7 [0,0,0,0,0,1|1,0,0]=2 140 B7R0.3 COC(=O)CCC=O 2123-1-29 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.4 C=CCCCC(=O)O 2321-1-0P [1,0,1,0,0,0|1,0,0]=3 142 B7R0.4 CCCCCC(N)=O 4148-1-1F [1,0,1,0,0,0|1,0,1]=4 143 B7R0.4 CCCOCC(=O)O 2121-1-0F [1,0,1,0,0,0|1,0,1]=4 144 B7R0.4 CCOCCC(=O)O 2121-1-0E [1,0,1,0,0,0|2,0,0]=4 145 B7R0.4 COCCCC(=O)O 2121-1-51 [1,0,1,0,0,0|2,0,0]=4 146 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [1,0,1,0,0,0|1,0,1]=4 147 B7R0.4 N#CCCCC(=O)O 4137-1-0M [1,0,1,0,0,0|0,0,2]=4 148 B7R0.4 NCCCCC(=O)O 4157-1-22 [1,0,1,0,0,0|0,0,1]=3 149 B7R0.4 NOCCCC(=O)O 4147-9-01 [1,0,1,0,0,0|1,0,0]=3 150 B7R0.4 O=C(O)CCCCCl 2121-5-05 [1,0,1,0,0,0|1,0,1]=4 151 B7R0.4 O=C([O-])CCCCO 2129-1-1E [1,0,1,0,0,0|1,0,1]=4 152 B7R0.5 C#CCC(N)C(=O)O 4557-1-01 [1,0,1,0,0,0|0,0,2]=4 153 B7R0.5 C#CC[C@@H](N)C(=O)O 4557-1-R3 [1,0,1,0,0,0|0,0,2]=4 154 B7R0.5 C#CC[C@H](N)C(=O)O 4557-1-S3 [1,0,1,0,0,0|0,0,2]=4 155 B7R0.5 C=CC[C@@H](N)C(=O)O 4357-1-01 [1,0,1,0,0,0|0,0,1]=3 156 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [1,0,1,0,0,0|1,0,1]=4 157 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [1,0,1,0,0,0|1,0,1]=4 158 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [1,0,1,0,0,0|0,0,1]=3 159 B7R0.5 CNCC(N)C(=O)O 4157-5-00 [1,0,1,0,0,0|1,0,1]=4 160 B7R0.5 CNC[C@H](N)C(=O)O 4157-1-SK [1,0,1,0,0,0|1,0,1]=4 161 B7R0.5 COCC(N)C(=O)O 4157-1-18 [1,0,1,0,0,0|1,0,1]=4 162 B7R0.5 COC[C@@H](N)C(=O)O 4157-5-R0 [1,0,1,0,0,0|1,0,1]=4 163 B7R0.5 COC[C@H](N)C(=O)O 4157-1-S3 [1,0,1,0,0,0|1,0,1]=4 164 B7R0.5 NC(CCO)C(=O)O 4157-1-0D [1,0,1,0,0,0|0,0,1]=3 165 B7R0.5 NCCC(N)C(=O)O 4157-5-04 [1,0,1,0,0,0|1,0,0]=3 166 B7R0.5 NCC[C@@H](F)C(=O)O 4157-3-R0 [1,0,1,0,0,0|2,0,0]=4 167 B7R0.5 NCC[C@H](F)C(=O)O 4157-3-S0 [1,0,1,0,0,0|2,0,0]=4 168 B7R0.5 NCC[C@H](N)C(=O)O 4157-1-SG [1,0,1,0,0,0|1,0,0]=3 169 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [1,0,1,0,0,0|2,0,0]=4 170 B7R0.6 CC(=O)NNC(C)=O 4139-1-02 [1,0,1,0,0,0|2,0,0]=4 171 B7R0.6 CC(=O)\C=C\C(=O)O 2329-1-08 [1,0,1,0,0,0|1,0,1]=4 172 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [1,0,1,0,0,0|2,0,0]=4 173 B7R0.15 CNC(CS)C(=O)O 8161-5-02 [1,0,1,0,0,0|1,0,1]=4 174 B7R0.15 CN[C@@H](CO)C(=O)O 4157-1-59 [1,0,1,0,0,0|1,0,1]=4 175 B7R0.2 C=CC(C)OC(C)=O 2323-1-1F [1,0,1,0,0,0|2,0,0]=4 176 B7R0.2 CC(=O)NC(C)CN 4148-1-0B [1,0,1,0,0,0|1,0,1]=4 177 B7R0.2 CC(=O)NC(C)CN 4148-5-0L [1,0,1,0,0,0|1,0,1]=4 178 B7R1.1 O=CC1CCCC1 2215-1-01 [2,0,0,0,0,0|1,0,1]=4 179 B7R1.1 O=CC1CCCO1 2H15-1-0Q [2,0,0,0,0,0|1,0,1]=4 180 B7R1.2 C[C@@H]1COC(=O)N1 4H48-1-RL [2,0,0,0,0,0|1,0,1]=4 181 B7R1.2 C[C@H]1COC(=O)N1 4H48-1-SL [2,0,0,0,0,0|1,0,1]=4 182 B7R1.2 O=C1CSC(=O)N1 8H18-1-X1 [2,0,0,0,0,0|1,0,1]=4 183 B7R1.2 O=C1C[C@@H](O)CN1 4H48-1-59 [2,0,0,0,0,0|2,0,0]=4 184 B7R1.2 O=C1C[C@@H](O)CO1 2H25-1-R1 [2,0,0,0,0,0|2,0,0]=4 185 B9R0.6 CCCC(F)C(N)C(=O)O 4157-3-X0 [0,1,1,0,0,0|1,0,1]=4 186 B9R0.7 C=C(CCC(=O)O)C(=O)O 2321-1-09 [0,1,1,0,0,0|1,0,1]=4 187 B9R0.7 CC(=O)OCC(N)C(=O)O 4157-1-X8 [0,1,1,0,0,0|1,0,0]=3 188 B9R0.7 CC(=O)SCC(C)C(=O)O 6166-1-X3 [0,1,1,0,0,0|2,0,0]=4 189 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [0,1,1,0,0,0|1,0,0]=3 190 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [0,1,1,0,0,0|1,0,0]=3 191 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [0,1,1,0,0,0|1,0,0]=3 192 B9R0.7 C[S+](C)CCC(N)C(=O)O 8166-9-00 [0,1,1,0,0,0|2,0,0]=4 193 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O 8166-9-R0 [0,1,1,0,0,0|2,0,0]=4 194 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 4157-1-R7 [0,1,1,0,0,0|0,0,0]=2 195 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 4157-1-W3 [0,1,1,0,0,0|1,0,0]=3 196 B9R0.7 NC(CCC(=O)O)C(=O)O 4157-1-17 [0,1,1,0,0,0|0,0,0]=2 197 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 4157-5-S4 [0,1,1,0,0,0|0,0,0]=2 198 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 4157-1-R4 [0,1,1,0,0,0|0,0,0]=2 199 B9R0.7 [C@@H](C)(CSC(C)=O)C(=O)O 6166-1-S1 [0,1,1,0,0,0|2,0,0]=4 200 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O 4157-1-S4 [0,1,1,0,0,0|0,0,0]=2 201 B9R0.8 CCCC[C@@H](N)C(=O)OC 4158-5-RM [0,1,1,0,0,0|1,0,1]=4 202 B9R0.8 CCCC[C@H](N)C(=O)OC 4158-5-SM [0,1,1,0,0,0|1,0,1]=4 203 B9R0.8 COC(=O)[C@@H](N)CCSC 8166-5-S0 [0,1,1,0,0,0|2,0,0]=4 204 B9R0.8 COC(=O)[C@H](N)CCSC 8166-5-R0 [0,1,1,0,0,0|2,0,0]=4 205 B9R0.47 C=CCCCC(N)C(=O)O 4357-1-05 [0,1,1,0,0,0|1,0,0]=3 206 B9R0.47 C=CC[Se]C[C@H](N)C(=O)O 9134-5-00 [0,1,1,0,0,0|1,0,0]=3 207 B9R0.47 NCCCCC(N)C(=O)O 4157-1-0E [0,1,1,0,0,0|1,0,1]=4 208 B9R0.51 CC(N)(CCCN)C(=O)O 4157-1-0K [0,1,1,0,0,0|1,0,1]=4 209 B9R0.51 CC(N)(CCCN)C(=O)O 4157-5-09 [0,1,1,0,0,0|1,0,1]=4 210 B9R0.24 COC(=O)CCC(=O)CN 4158-5-00 [0,1,1,0,0,0|2,0,0]=4 211 B9R0.24 COC(=O)CCC(=O)OC 2123-1-0Z [0,1,1,0,0,0|2,0,0]=4 212 B9R0.24 COC(=O)NNC(=O)OC 4148-1-06 [0,1,1,0,0,0|2,0,0]=4 213 B9R0.48 CCOC(=O)CCC(=O)O 2123-1-0C [0,1,1,0,0,0|1,0,0]=3 214 B9R0.39 CC(=O)NC(CO)C(=O)O 4158-1-Y2 [0,1,1,0,0,0|1,0,0]=3 215 B9R0.39 CCC(CC(=O)O)C(=O)O 2121-1-21 [0,1,1,0,0,0|1,0,0]=3 216 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl 2116-5-29 [0,1,1,0,0,0|2,0,0]=4 217 B9R0.79 CC(C(=O)O)C(C)C(=O)O 2121-1-0H [0,1,1,0,0,0|2,0,0]=4 218 B9R0.1 COC(=O)CCCC(=O)Cl 2123-5-0Y [0,1,1,0,0,0|1,0,0]=3 219 B9R0.1 COC(=O)CCCC(=O)O 2123-1-0N [0,1,1,0,0,0|1,0,0]=3 220 B9R0.1 COC(=O)CCC[N+](=O)[O-] 4154-1-0D [0,1,1,0,0,0|2,0,0]=4 221 B9R0.1 O=C(O)CCNC(=O)CCl 4158-5-32 [0,1,1,0,0,0|2,0,0]=4 222 B9R0.53 CC(CC(=O)O)CC(=O)O 2121-1-28 [0,1,1,0,0,0|1,0,0]=3 223 B9R0.53 CN(CC(=O)O)CC(=O)O 4157-1-43 [0,1,1,0,0,0|2,0,0]=4 224 B9R0.53 O=C(O)CC(=O)CC(=O)O 2129-1-25 [0,1,1,0,0,0|1,0,1]=4 225 B9R0.56 NS(=O)(=O)CCCC(=O)O 8169-1-06 [0,1,1,0,0,0|1,0,0]=3 226 B9R0.56 O=C(O)CCCP(=O)(O)O 6177-1-26 [0,1,1,0,0,0|2,0,0]=4 227 B9R1.11 CNC(=O)C1CCCN1 4H48-5-G1 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.11 COC(=O)C1CCCO1 2H23-1-0J [1,1,0,0,0,0|1,0,1]=4 229 B9R1.11 COC(=O)C1CCOC1 2H23-1-44 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.11 COC(=O)[C@@H]1CCNC1 4H22-3-02 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.11 COC(=O)[C@@H]1CCNC1 4H57-5-R2 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.11 COC(=O)[C@@H]1CCOC1 2H23-1-R1 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.11 COC(=O)[C@H]1CCNC1 4H22-3-03 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.11 COC(=O)[C@H]1CCNC1 4H57-5-S2 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.41 CC1CNCC1C(=O)O 4H58-1-044 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.41 CN1CCCC1C(=O)O 4H21-1-FK [1,1,0,0,0,0|0,0,1]=3 237 B9R1.41 NN1CCC[C@@H]1C(=O)O 4H57-1-28 [1,1,0,0,0,0|0,0,1]=3 238 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 4257-5-09 [1,1,0,0,0,0|1,0,1]=4 239 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 4257-5-08 [1,1,0,0,0,0|1,0,1]=4 240 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-10 [1,1,0,0,0,0|1,0,1]=4 241 B9R1.163 CC1(C(=O)O)CCCO1 2H21-1-0R [1,1,0,0,0,0|1,0,1]=4 242 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-1-06 [1,1,0,0,0,0|0,0,1]=3 243 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H21-1-TA [1,1,0,0,0,0|0,0,1]=3 244 B9R1.163 NC1(C(=O)O)CCCC1 4257-1-04 [1,1,0,0,0,0|1,0,1]=4 245 B9R1.163 NC1(C(=O)O)CCOC1 4H57-1-05 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.163 N[C@]1(C(=O)O)CCNC1 4H57-5-08 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.163 O=C(O)C1(F)CCCC1 2221-3-0C [1,1,0,0,0,0|1,0,1]=4 248 B9R1.163 O=C(O)C1(O)CCCC1 2229-1-0X [1,1,0,0,0,0|1,0,1]=4 249 B9R1.82 C=C1CC(C(=O)OC)C1 2323-1-39 [0,1,0,0,1,0|2,0,0]=4 250 B9R1.152 CC1(C(=O)O)CC(=O)C1 2H29-1-33 [0,1,0,0,1,0|1,0,0]=3 251 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 4258-1-11 [0,1,0,0,1,0|1,0,1]=4 252 B11R1.3 O=CN1CCC(C(=O)O)CC1 4H58-1-E7 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.22 COC(=O)C1CCC(=O)CC1 2229-1-1B [0,1,0,0,0,1|1,0,0]=3 254 B11R1.22 COC(=O)C1CCC(=O)NC1 4H58-1-A2 [0,1,0,0,0,1|0,0,0]=2 255 B11R1.22 COC(=O)C1CCC(C)NC1 4H56-5-97 [0,1,0,0,0,1|1,0,1]=4 256 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 4H33-5-1F [0,1,0,0,0,1|1,0,1]=4 257 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 6H63-1-10 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.23 COC(=O)C1CCCC(=O)C1 2223-1-0J [0,1,0,0,0,1|1,0,0]=3 259 B11R1.23 COC(=O)C1CCNC(=O)C1 4H48-1-58 [0,1,0,0,0,1|1,0,0]=3 260 B11R1.15 CCOC(=O)C1=CC(=O)CC1 2429-1-02 [0,2,0,0,0,0|1,0,1]=4 261 B11R1.15 CCOC(=O)C1CNC(=O)C1 4H48-1-YX [0,2,0,0,0,0|2,0,0]=4 262 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 4H58-1-216 [0,2,0,0,0,0|0,0,0]=2 263 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 4H58-1-R11 [0,2,0,0,0,0|0,0,0]=2 264 B11R1.489 CC1(C)OC(=O)CC1C(=O)O 2225-1-02 [0,2,0,0,0,0|2,0,0]=4 265 B9R1.6 O=C(O)C1CCC=CO1 2H21-1-17 [0,0,1,1,0,0|2,0,0]=4 266 B9R1.6 O=C(O)[C@@H]1CCCCN1 4H58-1-SE [0,0,1,1,0,0|1,0,1]=4 267 B9R1.93 C=CC1CC1(N)C(=O)O 4357-1-03 [0,0,1,1,0,0|1,0,0]=3 268 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO 4257-1-0E [0,0,1,1,0,0|0,0,2]=4 269 B9R1.110 NC(C(=O)O)C1COC1 4H57-1-71 [0,0,1,1,0,0|2,0,0]=4 270 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-1-08 [0,0,1,1,0,0|1,0,1]=4 271 B9R1.66 O=C1CCCS(=O)(=O)N1 8H69-1-Y2 [0,0,1,1,0,0|1,0,1]=4 272 B9R2.39 O=C1NC2CCC1C2 4H48-1-CD [1,0,0,1,0,0|1,0,1]=4 273 B9R2.139 O=C1CCC2(CC2)N1 4H48-1-08S [1,0,0,1,0,0|1,0,1]=4 274 B11R2.139 C12CC(=O)CC1CC(=O)C2 2218-1-04 [0,0,0,1,0,1|2,0,0]=4 275 B11R2.47 O=C1CC2CCC1CC2=O 2218-1-05 [0,0,0,1,0,1|2,0,0]=4 276 B11R2.60 O=C1CCC2C(=O)CCC12 2218-1-08 [0,1,0,1,0,0|2,0,0]=4 277 B7R0.16 CC(=O)C(Cl)C(N)=O 4148-5-16 [0,0,1,0,1,0|2,0,0]=4 278 B7R0.16 CC(C(=O)O)C(=O)O 2121-1-0M [0,0,1,0,1,0|1,0,0]=3 279 B7R0.16 O=C(O)C(F)C(=O)O 2121-3-1D [0,0,1,0,1,0|2,0,0]=4 280 B7R1.10 O=C1CC(CO)C1 2217-1-29 [1,0,0,0,1,0|1,0,1]=4 281 B7R1.10 O=C1CC(CO)N1 4H48-1-QC [1,0,0,0,1,0|0,0,1]=3 282 B7R1.18 CC(=O)C1CCC1 2217-1-0N [1,0,0,0,1,0|1,0,1]=4 283 B7R1.18 NC(=O)C1CCC1 4248-1-0H [1,0,0,0,1,0|1,0,1]=4 284 B7R1.18 O=C(O)C1CCC1 2221-1-10 [1,0,0,0,1,0|0,0,1]=3 285 B7R1.18 O=C(O)C1CCN1 4H57-1-98 [1,0,0,0,1,0|0,0,0]=2 286 B7R1.18 O=C(O)C1COC1 2H21-1-66 [1,0,0,0,1,0|1,0,1]=4 287 B7R1.18 O=C(O)[C@@H]1CCN1 4H57-1-29 [1,0,0,0,1,0|0,0,0]=2 288 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-26 [0,0,0,0,2,0|1,0,1]=4 289 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I 2221-H-01 [0,0,0,0,2,0|1,0,1]=4 290 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-20 [0,0,0,0,2,0|1,0,1]=4 291 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-E0 [0,0,0,0,2,0|1,0,1]=4 292 B7R1.12 O=C(O)[C@H]1C[C@@H]1F 2221-3-27 [0,0,0,0,2,0|1,0,1]=4 293 B7R1.12 O=C(O)[C@H]1C[C@H]1F 2221-3-19 [0,0,0,0,2,0|1,0,1]=4 294 B7R1.12 O=C(O)[C@H]1C[C@H]1I 2221-H-R1 [0,0,0,0,2,0|1,0,1]=4 295 B9R0.55 CC(=O)NCCCC(=O)O 4158-1-15 [0,0,1,0,0,1|1,0,0]=3 296 B9R0.55 NC(=O)CSSCC(N)=O 8166-1-06 [0,0,1,0,0,1|2,0,0]=4 297 B9R0.55 O=C(O)C\C=C\CC(=O)O 2321-1-0J [0,0,1,0,0,1|1,0,1]=4 298 B9R0.55 O=C(O)\C=C\CCC(=O)O 2321-1-23 [0,0,1,0,0,1|1,0,1]=4 299 B9R1.2 CCC1CCCC(=O)N1 4H48-1-CF [1,0,0,0,0,1|1,0,1]=4 300 B9R1.2 O=C1CCCC(CO)N1 4H48-1-CE [1,0,0,0,0,1|0,0,1]=3 301 B9R1.2 O=C1CCC[C@@H](CO)N1 4H31-1-S0 [1,0,0,0,0,1|0,0,1]=3 302 B9R1.2 O=C1CCC[C@H](CO)N1 4H31-1-R0 [1,0,0,0,0,1|0,0,1]=3 303 B9R1.13 O=C(O)CC1CCCO1 2H21-1-0B [1,0,0,0,0,1|1,0,1]=4 304 B9R1.13 O=C(O)CC1CCNC1 4H21-1-W3 [1,0,0,0,0,1|2,0,0]=4 305 B9R1.13 O=C(O)CC1CCNC1 4H58-1-H4 [1,0,0,0,0,1|2,0,0]=4 306 B9R1.13 O=C(O)CC1CCOC1 2H21-1-59 [1,0,0,0,0,1|2,0,0]=4 307 B11R1.20 CC(=O)NC1CCC(=O)CC1 4248-1-0A [0,0,0,0,0,2|2,0,0]=4 308 B11R1.20 CC(=O)OC1CCC(=O)CC1 2223-1-0F [0,0,0,0,0,2|2,0,0]=4 309 B11R1.157 O=C(O)CN1CCOC(=O)C1 4H29-1-91 [0,0,0,0,0,2|2,0,0]=4