0 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(C)CC(Br)C(=O)O 2121-9-0D [0,0,0,0,0,0|1,0,0]=1 3 B8R0.23 CC(C)CC(O)C(=O)O 2129-1-0U [0,0,0,0,0,0|1,0,0]=1 4 B8R0.23 CC(C)C[C@@H](O)C(=O)O 2129-1-RB [0,0,0,0,0,0|1,0,0]=1 5 B8R0.23 CC(C)C[C@H](Cl)C(=O)O 2121-5-S2 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.23 CC(C)C[C@H](F)C(=O)O 2121-3-S2 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.23 CC(C)C[C@H](N)C(N)=O 4158-5-02 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,0,0,0,0,0|3,0,1]=4 9 B8R0.23 CS(=O)C[C@H](N)C(=O)O 8162-1-R0 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,0,0,0,0,0|2,0,1]=3 15 B8R0.23 N[C@@H](CS(=O)O)C(=O)O 8157-1-02 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.2 CC(C)C[C@H](N)CO 4156-1-S6 [1,0,0,0,0,0|0,0,1]=2 20 B7R0.2 CCC(C)CC(C)C 1100-1-24 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.5 C#CCC(N)C(=O)O 4557-1-01 [1,0,0,0,0,0|0,0,2]=3 22 B7R0.5 C#CC[C@@H](N)C(=O)O 4557-1-R3 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.5 C#CC[C@H](N)C(=O)O 4557-1-S3 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.5 C=CC[C@@H](N)C(=O)O 4357-1-01 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [1,0,0,0,0,0|1,0,0]=2 26 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [1,0,0,0,0,0|0,0,0]=1 28 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [1,0,0,0,0,0|1,0,2]=4 29 B7R0.5 CNCC(N)C(=O)O 4157-5-00 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.5 CNC[C@H](N)C(=O)O 4157-1-SK [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 COCC(N)C(=O)O 4157-1-18 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 COC[C@@H](N)C(=O)O 4157-5-R0 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.5 COC[C@H](N)C(=O)O 4157-1-S3 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 NC(CCO)C(=O)O 4157-1-0D [1,0,0,0,0,0|1,0,0]=2 35 B7R0.5 NCCC(N)C(=O)O 4157-5-04 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 NCC[C@@H](F)C(=O)O 4157-3-R0 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.5 NCC[C@H](F)C(=O)O 4157-3-S0 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.5 NCC[C@H](N)C(=O)O 4157-1-SG [1,0,0,0,0,0|1,0,0]=2 39 B7R0.5 O=C(Br)C(Br)CCBr 2116-9-00 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [1,0,0,0,0,0|0,0,2]=3 41 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.6 CC(=O)OCC(C)F 2123-3-0L [1,0,0,0,0,0|3,0,0]=4 43 B7R0.6 CC(C)CCB(O)O 6160-1-0B [1,0,0,0,0,0|1,0,1]=3 44 B7R0.6 CC(C)CCC(=N)N 3141-1-00 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.6 CC(C)CCC(=O)O 2121-1-29 [1,0,0,0,0,0|0,0,0]=1 46 B7R0.6 CC(C)CCC(C)O 2102-1-0C [1,0,0,0,0,0|1,0,1]=3 47 B7R0.6 CC(Cl)CCC(=O)Cl 2116-5-0B [1,0,0,0,0,0|2,0,0]=3 48 B7R0.6 CC(F)COC(=O)Cl 2123-7-0B [1,0,0,0,0,0|3,0,0]=4 49 B7R0.6 CC(N)CCC(=O)O 4157-5-14 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.6 C[C@@H](O)CC[C@@H](C)O 2104-1-33 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.6 C[C@H](O)CC[C@H](C)O 2104-1-27 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.6 O=C(O)CCC(F)F 2121-3-72 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.10 CC(C)C[C@@H](N)C(F)(F)F 3130-3-R1 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.10 CC(C)C[C@H](N)C(F)(F)F 3130-3-S1 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.11 CC(=O)C(C)(C)CC(C)C 2117-1-00 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.11 CC(=O)C(C)(C)CN(C)C 4156-1-58 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.11 CC(C)CC(C)(C)C(C)O 2102-1-00 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.23 CCC(=O)C(C)CN(C)C 4H32-1-0Y [0,1,0,0,0,0|3,0,0]=4 60 B9R0.23 COC(=O)C(=O)CC(C)C 2129-1-0K [0,1,0,0,0,0|1,0,1]=3 61 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 4157-5-08 [0,1,0,0,0,0|0,0,0]=1 62 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O 4157-1-R9 [0,1,0,0,0,0|1,0,1]=3 63 B9R0.57 CC(C)(C)CC(=O)C(=O)O 2129-1-1M [0,1,0,0,0,0|1,0,1]=3 64 B9R0.57 CC(C)(C)CC(N)C(=O)O 4157-1-0F [0,1,0,0,0,0|0,0,0]=1 65 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O 4157-1-R8 [0,1,0,0,0,0|0,0,0]=1 66 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 4157-3-S3 [0,1,0,0,0,0|0,0,0]=1 67 B9R0.57 NC(CC(F)(F)F)C(=O)O 4157-7-X0 [0,1,0,0,0,0|2,0,0]=3 68 B9R0.57 NC(CP(=O)(O)O)C(=O)O 8177-1-08 [0,1,0,0,0,0|3,0,0]=4 69 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O 8164-1-R0 [0,1,0,0,0,0|3,0,0]=4 70 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O 4157-1-0T [0,1,0,0,0,0|0,0,0]=1 71 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O 4156-1-46 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O 4157-1-45 [0,1,0,0,0,0|1,0,0]=2 73 B9R0.79 NC(C(=O)O)C(N)C(=O)O 4157-1-0M [0,1,0,0,0,0|2,0,1]=4 74 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O 4157-1-0S [0,1,0,0,0,0|2,0,1]=4 75 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 4157-1-42 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.35 CC1NC(C(=O)O)CS1 8H21-1-72 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.35 CN1CCC(C(=O)O)C1 4H21-5-0C [0,0,0,1,0,0|2,0,0]=3 78 B9R1.35 CN1CC[C@@H](C(=O)O)C1 4H58-5-3S [0,0,0,1,0,0|2,0,0]=3 79 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-1-S3 [0,0,0,1,0,0|0,0,0]=1 80 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-5-0M [0,0,0,1,0,0|0,0,0]=1 81 B9R1.35 NC(=O)C1CC(O)CN1 4H48-1-NP [0,0,0,1,0,0|2,0,0]=3 82 B9R1.35 NC1CCC(C(=O)O)C1 4257-5-04 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H57-5-X2 [0,0,0,1,0,0|1,0,0]=2 84 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H58-1-JN [0,0,0,1,0,0|1,0,0]=2 85 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 4257-1-09 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H21-3-24 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H56-7-63 [0,0,0,1,0,0|1,0,0]=2 88 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 4H58-3-X7 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H58-5-4C [0,0,0,1,0,0|1,0,0]=2 90 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 4H58-3-X5 [0,0,0,1,0,0|1,0,0]=2 91 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H29-1-26 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.35 O=C1CN[C@H](C(=O)O)C1 4H33-9-0A [0,0,0,1,0,0|1,0,1]=3 94 B9R1.36 CC1CC(C)(C)CC1=O 2217-1-1J [0,0,0,1,0,0|2,0,0]=3 95 B9R1.69 CC1CCC(=O)N(C)C1 4H48-1-0A3 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.69 CC1CN(C)CCC1=O 4H17-1-18 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.152 CC1(C(=O)O)CC(=O)C1 2H29-1-33 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.161 CC(C)C1CC1C(=O)O 2221-1-14 [0,0,0,1,0,0|1,0,0]=2 99 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 2229-1-54 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.169 CC1(C(=O)O)CC1(F)F 2221-3-0H [0,0,0,1,0,0|3,0,0]=4 101 B7R0.16 CC(C)C(=O)C(=O)O 2129-1-0Q [0,0,0,0,1,0|1,0,1]=3 102 B7R0.16 CC(C)C(Br)C(=O)Br 2116-9-06 [0,0,0,0,1,0|2,0,0]=3 103 B7R0.16 CC(C)C(Br)C(=O)O 2121-9-10 [0,0,0,0,1,0|1,0,0]=2 104 B7R0.16 CC(C)C(N)C(=O)O 4157-1-10 [0,0,0,0,1,0|0,0,0]=1 105 B7R0.16 CC(C)[C@@H](Br)C(=O)O 2121-9-R1 [0,0,0,0,1,0|1,0,0]=2 106 B7R0.16 CC(C)[C@@H](N)C(=O)O 4157-1-Y1 [0,0,0,0,1,0|0,0,0]=1 107 B7R0.16 CC(C)[C@@H](O)C(=O)O 2129-1-18 [0,0,0,0,1,0|1,0,0]=2 108 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 4157-1-33 [0,0,0,0,1,0|1,0,0]=2 109 B7R0.16 NC(C(=O)O)C(F)F 4157-3-38 [0,0,0,0,1,0|2,0,0]=3 110 B7R0.16 O=C(O)C(O)C(F)F 2129-3-44 [0,0,0,0,1,0|3,0,0]=4 111 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)O 4157-1-X7 [0,0,0,0,1,0|1,0,0]=2 112 B9R0.7 CC(=O)OCC(N)C(=O)O 4157-1-X8 [0,0,0,0,0,1|1,0,1]=3 113 B9R0.7 CC(=O)SCC(C)C(=O)O 6166-1-X3 [0,0,0,0,0,1|2,0,1]=4 114 B9R0.7 C[S+](C)CCC(N)C(=O)O 8166-9-00 [0,0,0,0,0,1|1,0,0]=2 115 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O 8166-9-R0 [0,0,0,0,0,1|1,0,0]=2 116 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 4157-1-R7 [0,0,0,0,0,1|2,0,1]=4 117 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 4157-1-W3 [0,0,0,0,0,1|2,0,1]=4 118 B9R0.7 NC(CCC(=O)O)C(=O)O 4157-1-17 [0,0,0,0,0,1|2,0,1]=4 119 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 4157-5-S4 [0,0,0,0,0,1|2,0,1]=4 120 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 4157-1-R4 [0,0,0,0,0,1|2,0,1]=4 121 B9R0.7 [C@@H](C)(CSC(C)=O)C(=O)O 6166-1-S1 [0,0,0,0,0,1|2,0,1]=4 122 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O 4157-1-S4 [0,0,0,0,0,1|2,0,1]=4 123 B9R0.53 CC(=O)CC(=O)CC(C)C 2118-1-06 [0,0,0,0,0,1|2,0,1]=4 124 B9R0.53 CN(C)CC(O)CC(=O)O 4129-1-X1 [0,0,0,0,0,1|2,0,0]=3 125 B6R0.1 CCCC(C)C=O 2115-1-12 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.1 CCCC(N)C#N 3137-5-03 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.1 CCC[C@@H](N)CO 4156-1-72 [2,0,0,0,0,0|0,0,1]=3 128 B6R0.1 CCC[C@H](N)CO 4156-1-70 [2,0,0,0,0,0|0,0,1]=3 129 B6R0.2 C=C(Br)CC(C)C 1300-9-16 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.2 CC(C)CC(=O)O 2121-1-18 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.2 CC(C)CC(C)Cl 1100-5-09 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.2 CC(C)NC(N)=O 4153-1-10 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.2 CC(C)OC(N)=O 4156-1-2S [2,0,0,0,0,0|1,0,1]=4 134 B6R0.2 CC(N)CN(C)C 3132-5-00 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.2 C[C@H](O)CN(C)C 4156-1-SH [2,0,0,0,0,0|2,0,0]=4 136 B6R0.2 C[C@H](O)C[C@H](C)O 2104-1-29 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.4 C=C(Br)CCCC 1300-9-19 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.4 C=CCCC(=O)O 2321-1-0D [2,0,0,0,0,0|0,0,2]=4 139 B6R0.4 C=CCC[C@H](C)O 2302-1-S1 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.4 CC(=O)CCCBr 2117-9-0A [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 CC(C)CCCCl 1100-5-44 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.4 CC(C)CON=O 4145-1-01 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.4 CC(F)COC=O 2123-3-0J [2,0,0,0,0,0|2,0,0]=4 144 B6R0.4 CCCCC(=N)N 3141-1-03 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.4 CCCCC(=O)Br 2116-9-0A [2,0,0,0,0,0|1,0,0]=3 146 B6R0.4 CCCCC(C)=O 2117-1-11 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.4 CCCCC(C)O 2102-1-07 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.4 CCCCC(N)=O 4148-1-0P [2,0,0,0,0,0|1,0,0]=3 149 B6R0.4 CCCC[C@H](C)O 2102-1-S0 [2,0,0,0,0,0|1,0,1]=4 150 B6R0.4 CCCNC(N)=O 4153-1-00 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.4 CCCOC(=O)Cl 2116-5-30 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.4 CCCOC(N)=O 4156-1-2G [2,0,0,0,0,0|2,0,0]=4 153 B6R0.4 CCCSC(C)=O 6166-1-0A [2,0,0,0,0,0|2,0,0]=4 154 B6R0.4 CCNCC(=O)O 4158-1-76 [2,0,0,0,0,0|1,0,0]=3 155 B6R0.4 CCOCC(=O)O 2121-1-20 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.4 CC\C=C\C(=O)O 2321-1-X5 [2,0,0,0,0,0|0,0,2]=4 157 B6R0.4 CNCCC(=O)O 4157-1-11 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.4 COCCC(=O)Cl 2116-5-0C [2,0,0,0,0,0|2,0,0]=4 159 B6R0.4 COCCC(=O)O 2123-1-63 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.4 CSCCC(=O)Cl 6166-5-01 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.4 CSCCC(C)=O 6166-1-0J [2,0,0,0,0,0|2,0,0]=4 162 B6R0.4 N#CCCC(=O)O 4137-1-00 [2,0,0,0,0,0|1,0,1]=4 163 B6R0.4 O=C(Cl)CCCBr 2116-D-01 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.4 O=C(O)CCCBr 2121-9-05 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.3 CC(CBr)C(=O)O 2121-9-0A [2,0,0,0,0,0|2,0,0]=4 166 B6R0.3 CC(CS)C(=O)O 6261-1-00 [2,0,0,0,0,0|2,0,0]=4 167 B6R0.3 CCC(Br)C(=O)Br 2116-9-09 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.3 CCC(Br)C(=O)Cl 2116-D-02 [2,0,0,0,0,0|2,0,0]=4 169 B6R0.3 CCC(Br)C(=O)O 2121-9-15 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.3 CCC(O)C(=O)O 2129-1-1J [2,0,0,0,0,0|1,0,0]=3 171 B6R0.3 CCC(S)C(C)=O 6161-1-00 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.3 CC[C@@H](Cl)C(=O)O 2121-5-R0 [2,0,0,0,0,0|1,0,0]=3 173 B6R0.3 CC[C@@H](O)C(=O)O 2129-1-RF [2,0,0,0,0,0|1,0,0]=3 174 B6R0.3 CC[C@H](C)C(=O)O 2121-1-S0 [2,0,0,0,0,0|1,0,0]=3 175 B6R0.3 CC[C@H](Cl)C(=O)O 2121-5-S0 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.3 CC[C@H](N)C(N)=O 4148-5-S0 [2,0,0,0,0,0|1,0,0]=3 177 B6R0.3 CNC(C)C(=O)O 4157-1-0A [2,0,0,0,0,0|2,0,0]=4 178 B6R0.3 CO[C@@H](C)C(=O)O 2121-1-S1 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.3 CO[C@H](C)C(=O)O 2121-1-R1 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.3 NC(CS)C(=O)O 8161-5-00 [2,0,0,0,0,0|1,0,0]=3 181 B6R0.3 NCC(N)C(=O)O 4157-1-27 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.3 NCC(N)C(=O)O 4157-5-02 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.3 NCC(O)C(=O)O 4157-1-47 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.3 NC[C@@H](N)C(=O)O 4157-5-R5 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.3 NC[C@H](N)C(=O)O 4157-5-S5 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.3 NC[C@H](O)C(=O)O 4156-1-SR [2,0,0,0,0,0|2,0,0]=4 187 B6R0.3 N[C@@H](CCl)C(=O)O 4157-5-R3 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.3 N[C@@H](CS)C(=O)O 8161-5-R2 [2,0,0,0,0,0|1,0,0]=3 189 B6R0.3 N[C@H](CS)C(=O)O 8161-5-S2 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.3 O=C(O)C(Br)CBr 2121-9-06 [2,0,0,0,0,0|2,0,0]=4 191 B6R0.3 O=C(O)C(F)CF 2121-3-1P [2,0,0,0,0,0|2,0,0]=4 192 B8R0.34 CC(C)CC(C)(C)CO 2101-1-00 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.34 CN(C)CC(C)(C)C=O 4132-1-00 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.3 C#CC[C@@H](N)C(=O)OC 4558-1-00 [1,1,0,0,0,0|0,0,2]=4 195 B8R0.3 C=CCC(N)C(=O)OC 4358-5-00 [1,1,0,0,0,0|0,0,2]=4 196 B8R0.3 CCCC(N)C(=O)OC 4158-5-0M [1,1,0,0,0,0|0,0,0]=2 197 B8R0.3 CCC[C@H](N)C(=O)OC 4158-1-S00 [1,1,0,0,0,0|0,0,0]=2 198 B8R0.3 CCC[C@H](N)C(=O)OC 4158-5-SH [1,1,0,0,0,0|0,0,0]=2 199 B8R0.3 COC(=O)C(C)CCCl 2123-5-1K [1,1,0,0,0,0|2,0,0]=4 200 B8R0.8 C#CCC[C@@H](N)C(=O)O 4557-1-R1 [1,1,0,0,0,0|0,0,1]=3 201 B8R0.8 CCCCC(Br)C(=O)O 2121-9-16 [1,1,0,0,0,0|1,0,0]=3 202 B8R0.8 CCCCC(C)C(=O)O 2121-1-0S [1,1,0,0,0,0|1,0,0]=3 203 B8R0.8 CCC\C=C(/C)C(=O)O 2321-1-0S [1,1,0,0,0,0|1,0,1]=4 204 B8R0.8 COCC[C@H](N)C(=O)O 4157-5-S8 [1,1,0,0,0,0|0,0,0]=2 205 B8R0.8 CSCCC(N)C(=O)O 8166-1-00 [1,1,0,0,0,0|0,0,0]=2 206 B8R0.8 NOCC[C@H](N)C(=O)O 4157-1-08 [1,1,0,0,0,0|1,0,0]=3 207 B8R0.8 [C@H](N)(CCSC)C(=O)O 8166-1-S5 [1,1,0,0,0,0|0,0,0]=2 208 B8R0.12 C=CC[C@@](C)(N)C(=O)O 4357-1-R1 [1,1,0,0,0,0|0,0,2]=4 209 B8R0.12 CC(C)(CCN)C(=O)O 4157-1-49 [1,1,0,0,0,0|2,0,0]=4 210 B8R0.12 CC(C)(CCN)C(=O)O 4157-5-11 [1,1,0,0,0,0|2,0,0]=4 211 B8R0.12 CCC[C@@](C)(N)C(=O)O 4157-1-RB [1,1,0,0,0,0|0,0,0]=2 212 B8R0.12 CCOC(C)(C)C(=O)O 2121-1-0T [1,1,0,0,0,0|2,0,0]=4 213 B8R0.12 NCCC(F)(F)C(=O)O 4157-3-21 [1,1,0,0,0,0|2,0,0]=4 214 B8R0.12 NCCC(F)(F)C(=O)O 4157-7-02 [1,1,0,0,0,0|2,0,0]=4 215 B8R0.15 COC(CCN)C(=O)O 4157-1-57 [1,1,0,0,0,0|2,0,0]=4 216 B8R0.9 CC(=O)OCC(C)CBr 2123-9-0N [1,1,0,0,0,0|2,0,0]=4 217 B8R0.9 CC(F)COC(=O)CO 2129-3-0M [1,1,0,0,0,0|2,0,0]=4 218 B8R0.9 CCC(C)COC(=O)Cl 2116-5-28 [1,1,0,0,0,0|2,0,0]=4 219 B8R0.9 CCC(Cl)CCC(=O)Cl 2116-5-23 [1,1,0,0,0,0|2,0,0]=4 220 B8R0.9 CCC(O)CCC(C)C 2102-1-0B [1,1,0,0,0,0|1,0,1]=4 221 B8R0.9 COC(=O)OCC(C)F 2128-3-0J [1,1,0,0,0,0|2,0,0]=4 222 B8R0.9 C\C(CCC(C)C)=N/O 4147-1-0C [1,1,0,0,0,0|1,0,0]=3 223 B8R0.29 CC(=O)CSC(C)(C)C 6166-1-03 [1,1,0,0,0,0|2,0,0]=4 224 B8R0.29 CC(C)(C)CCC(=O)O 2121-1-36 [1,1,0,0,0,0|0,0,0]=2 225 B8R0.29 CC(C)(N)CCC(=O)O 4157-1-32 [1,1,0,0,0,0|0,0,0]=2 226 B8R0.29 CC(C)(N)CCC(=O)O 4157-5-13 [1,1,0,0,0,0|0,0,0]=2 227 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl 2121-5-X2 [1,1,0,0,0,0|2,0,0]=4 228 B8R0.27 CC(C(=O)O)C(C)(C)C 2121-1-44 [0,1,0,0,1,0|1,0,0]=3 229 B8R0.27 CC(C)(C)C(=O)C(=O)O 2129-1-26 [0,1,0,0,1,0|1,0,1]=4 230 B8R0.27 CC(C)(C)C(N)C(=O)O 4157-1-0V [0,1,0,0,1,0|0,0,0]=2 231 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 2129-1-S5 [0,1,0,0,1,0|1,0,0]=3 232 B8R0.27 CC(C)(F)C(N)C(=O)O 4157-3-X1 [0,1,0,0,1,0|0,0,0]=2 233 B8R0.27 CC(C)(O)C(N)C(=O)O 4157-1-0R [0,1,0,0,1,0|0,0,0]=2 234 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 4157-1-SJ [0,1,0,0,1,0|0,0,0]=2 235 B8R0.37 CC(C)[C@](C)(N)C(=O)O 4157-1-SH [0,1,0,0,1,0|0,0,0]=2 236 B8R0.37 CC(O)[C@@](C)(N)C(=O)O 4157-1-24 [0,1,0,0,1,0|1,0,0]=3 237 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 4157-1-S0 [0,1,0,0,0,1|1,0,1]=4 238 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O 8169-1-R1 [0,1,0,0,0,1|2,0,0]=4 239 B10R0.92 NC(COC(F)(F)F)C(=O)O 4157-3-35 [0,1,0,0,0,1|2,0,0]=4 240 B10R0.92 NC(CSC(F)(F)F)C(=O)O 8166-3-04 [0,1,0,0,0,1|2,0,0]=4 241 B10R0.92 N[C@@H](COC(F)(F)F)C(=O)O 4157-3-S8 [0,1,0,0,0,1|2,0,0]=4 242 B10R0.92 N[C@@H](COC(F)(F)F)C(=O)O 4157-7-08 [0,1,0,0,0,1|2,0,0]=4 243 B10R0.92 N[C@@H](CSC(F)(F)F)C(=O)O 8166-3-R2 [0,1,0,0,0,1|2,0,0]=4 244 B10R0.92 N[C@H](COC(F)(F)F)C(=O)O 4157-3-R8 [0,1,0,0,0,1|2,0,0]=4 245 B10R0.92 N[C@H](CSC(F)(F)F)C(=O)O 8166-3-S2 [0,1,0,0,0,1|2,0,0]=4 246 B10R0.31 CC(CC(=O)O)CC(C)(C)C 2121-1-0Q [0,1,0,0,0,1|1,0,0]=3 247 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)[O-] 4157-1-29 [0,1,0,0,0,1|1,0,1]=4 248 B10R0.154 CC(C(N)C(=O)O)C(F)(F)F 4157-3-12 [0,2,0,0,0,0|2,0,0]=4 249 B10R0.32 CCOC(=O)C(N)CC(C)C 4158-1-0Q [0,2,0,0,0,0|0,0,0]=2 250 B10R0.32 CCOC(=O)C(O)CC(C)C 2129-1-0N [0,2,0,0,0,0|1,0,0]=3 251 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 4158-5-SA [0,2,0,0,0,0|0,0,0]=2 252 B10R0.37 COC(=O)C(N)CC(F)(F)F 4158-7-04 [0,2,0,0,0,0|2,0,0]=4 253 B10R0.56 COC(=O)C(C)C(=O)C(C)C 2129-1-07 [0,2,0,0,0,0|1,0,1]=4 254 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O 4158-1-S01 [0,2,0,0,0,0|0,0,0]=2 255 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 4H56-5-D4 [1,0,0,1,0,0|1,0,1]=4 256 B8R1.4 CC1CCCC(N)C1 3230-1-0H [1,0,0,1,0,0|1,0,1]=4 257 B8R1.18 CC1CC(=O)N(C)C1 4H48-1-34 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.53 CC1(C)CC(CO)C1 2201-1-10 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.5 CC1CCCNC1=O 4H48-1-MX [1,0,0,1,0,0|2,0,0]=4 260 B8R1.5 N[C@@H]1CCCC[C@@H]1O 4256-5-0B [1,0,0,1,0,0|1,0,1]=4 261 B8R1.5 N[C@@H]1CCCC[C@@H]1O 4256-5-29 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-5-0C [1,0,0,1,0,0|1,0,1]=4 263 B8R1.5 N[C@H]1CCCC[C@@H]1O 4256-1-S1 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.5 O=C1CCCCC1Br 2217-9-0C [1,0,0,1,0,0|2,0,0]=4 265 B8R1.5 O=C1CCCCC1Cl 2217-5-09 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.5 O=C1CCCCC1F 2217-3-09 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.7 CC(=O)C1CCCC1 2217-1-0X [1,0,0,1,0,0|2,0,0]=4 268 B8R1.7 O=C(O)C1C=CCN1 4H21-1-6F [1,0,0,1,0,0|0,0,2]=4 269 B8R1.7 O=C(O)C1CCCC1 2221-1-Y5 [1,0,0,1,0,0|1,0,0]=3 270 B8R1.7 O=C(O)C1CCCN1 4H58-1-010 [1,0,0,1,0,0|0,0,0]=2 271 B8R1.7 O=C(O)C1CCCO1 2H21-1-26 [1,0,0,1,0,0|1,0,0]=3 272 B8R1.7 O=C(O)[C@@H]1CCNC1 4H21-1-R5 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.7 O=C(O)[C@@H]1CCOC1 2H21-1-R2 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.7 [C@@H]1(C(=O)O)CCCN1 4H21-1-0P [1,0,0,1,0,0|0,0,0]=2 275 B8R1.23 CC1CC(C(=O)O)C1 2221-1-0B [1,0,0,1,0,0|1,0,0]=3 276 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 2221-1-29 [1,0,0,1,0,0|1,0,0]=3 277 B8R1.23 NC1CC(C(=O)O)C1 4257-1-29 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.23 NC1CC(C(=O)O)C1 4257-5-14 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-5-01 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 4257-5-07 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.23 O=C(O)C1CC(F)C1 2221-3-09 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.23 O=C(O)C1CC(O)C1 2229-1-89 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.54 N[C@@H](C(=O)O)C1CC1 4257-1-R8 [1,0,0,1,0,0|0,0,0]=2 284 B8R1.78 CC1(C(=O)O)CCC1 2221-1-25 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.78 NC1(C(=O)O)CCC1 4257-1-06 [1,0,0,1,0,0|0,0,0]=2 286 B8R1.78 NC1(C(=O)O)CCC1 4257-5-13 [1,0,0,1,0,0|0,0,0]=2 287 B8R1.78 NC1(C(=O)O)CNC1 4H57-1-58 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.78 NC1(C(=O)O)CNC1 4H57-5-13 [1,0,0,1,0,0|1,0,0]=3 289 B8R1.78 NC1(C(=O)O)COC1 4H57-1-68 [1,0,0,1,0,0|1,0,0]=3 290 B8R1.78 NC1(C(=O)O)CSC1 8H57-1-25 [1,0,0,1,0,0|1,0,0]=3 291 B8R1.78 O=C(O)C1(Br)CCC1 2221-9-10 [1,0,0,1,0,0|1,0,0]=3 292 B8R1.78 O=C(O)C1(O)CCC1 2229-1-70 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.3 C=C1CCC(C)CC1 1300-1-47 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.3 CC1CCC(=O)CC1 2217-1-X3 [1,0,0,1,0,0|1,0,0]=3 295 B8R1.3 CC1CCC(O)CC1 2202-1-02 [1,0,0,1,0,0|1,0,1]=4 296 B8R1.3 C[C@H]1CC[C@H](O)CC1 2202-1-17 [1,0,0,1,0,0|1,0,1]=4 297 B8R1.3 NC1CCC(=O)CC1 4256-1-01 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.3 NC1CCC(=O)CC1 4256-5-56 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.3 NC1CCC(=O)NC1 4H48-5-66 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.3 O=C1CCC(O)CC1 2220-1-X3 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.3 O=C1CCC(O)CN1 4H20-1-29 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.35 CC(=O)NCC1CC1 4248-1-00 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.35 O=C(O)CCC1CC1 2221-1-24 [1,0,0,1,0,0|0,0,0]=2 304 B8R1.77 CC1(C)CC1C(=O)O 2221-1-0X [1,0,0,1,0,0|0,0,0]=2 305 B8R1.77 CC1(C)CC1C(N)=O 4248-1-07 [1,0,0,1,0,0|1,0,0]=3 306 B8R1.77 CC1(C)C[C@@H]1C(=O)O 2221-1-S0 [1,0,0,1,0,0|0,0,0]=2 307 B8R1.77 O=C(O)C1CC1(Cl)Cl 2221-5-02 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 2H29-1-65 [0,0,0,1,1,0|2,0,0]=4 309 B10R1.13 CC1CCC(C(N)=O)CN1 4H48-1-A6 [0,0,0,1,0,1|2,0,0]=4 310 B10R1.13 NC1CCC(C(=O)O)CC1 4257-5-0B [0,0,0,1,0,1|2,0,0]=4 311 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 4257-5-X0 [0,0,0,1,0,1|2,0,0]=4 312 B10R1.13 O=C(O)C1CCC(Cl)CC1 2221-5-00 [0,0,0,1,0,1|2,0,0]=4 313 B10R1.13 O=C(O)C1CCC(O)CC1 2221-1-1M [0,0,0,1,0,1|2,0,0]=4 314 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 4H57-5-17 [0,0,0,1,0,1|1,0,0]=3 315 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 2229-1-1G [0,0,0,1,0,1|2,0,0]=4 316 B10R1.359 CC1(C)CCC(C(=O)O)C1 2221-1-45 [0,0,0,1,0,1|1,0,0]=3 317 B10R1.359 CC1(C)OCC(C(=O)O)O1 2H21-1-39 [0,0,0,1,0,1|1,0,0]=3 318 B10R1.359 CC1(C)OC[C@@H](C(=O)[O-])O1 2H10-1-S2 [0,0,0,1,0,1|1,0,1]=4 319 B10R1.54 CC(C)C[C@H]1COC(=O)N1 4H56-1-S63 [0,0,0,1,0,1|1,0,0]=3 320 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 4357-1-02 [0,0,0,1,0,1|0,0,2]=4 321 B10R1.329 CC1(C)CC(=O)C=C(N)C1 4256-1-81 [0,0,0,1,0,1|1,0,1]=4 322 B10R1.329 CC1CC(=O)CC(C)(C)C1 2217-1-0S [0,0,0,1,0,1|2,0,0]=4 323 B10R1.566 CC1(C(=O)O)CC(F)(F)C1 2221-3-08 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 4H56-1-SC [0,1,0,1,0,0|0,0,2]=4 325 B10R1.14 COC(=O)C1CC(O)CN1 4H58-1-184 [0,1,0,1,0,0|1,0,0]=3 326 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 4H58-7-08 [0,1,0,1,0,0|1,0,0]=3 327 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 4258-7-01 [0,1,0,1,0,0|1,0,0]=3 328 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 2229-1-92 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 4H29-1-09 [0,1,0,1,0,0|1,0,0]=3 330 B10R1.33 CC1(C)CN(N=O)C(=O)O1 4H45-1-0B [0,1,0,1,0,0|1,0,1]=4 331 B10R1.194 CC(C)[C@H]1COC(=O)N1N 4H56-1-S0A [0,1,0,1,0,0|1,0,0]=3 332 B10R1.413 COC(=O)C1CC(C)(C)C1 2223-1-43 [0,1,0,1,0,0|1,0,0]=3 333 B10R1.424 COC(=O)C1(C)CC(O)C1 2229-1-62 [0,1,0,1,0,0|2,0,0]=4 334 B10R1.113 CC1CCCC(C(=O)O)N1 4H21-5-44 [0,1,0,1,0,0|2,0,0]=4 335 B10R1.113 CC1COCC(C(=O)O)N1 4H21-5-43 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-5-Z1 [0,1,0,1,0,0|2,0,0]=4 337 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 4H21-1-R0 [0,1,0,1,0,0|2,0,0]=4 338 B10R1.113 CN1CCC[C@H](C(=O)O)C1 4H21-1-S0 [0,1,0,1,0,0|2,0,0]=4 339 B10R1.113 NC1CCCC(C(=O)O)C1 4257-1-X1 [0,1,0,1,0,0|2,0,0]=4 340 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-5-0A [0,1,0,1,0,0|2,0,0]=4 341 B10R1.113 O=C(O)C1CCCC(O)C1 2229-1-0Z [0,1,0,1,0,0|2,0,0]=4 342 B10R1.113 O=C(O)C1CS(=O)CCN1 8H65-5-02 [0,1,0,1,0,0|2,0,0]=4 343 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 4H29-5-0A [0,1,0,1,0,0|1,0,0]=3 344 B10R1.204 N[C@H](CC1CCC1)C(=O)O 4257-1-RB [0,1,0,1,0,0|0,0,0]=2 345 B10R2.348 O=C(O)C12CC(CN1)C2 4H21-5-07 [0,0,0,2,0,0|0,0,0]=2 346 B10R2.355 [C@@H]12CNC(C(=O)O)[C@@H]1C2 4H57-1-V0 [0,0,0,2,0,0|0,0,0]=2 347 B10R2.636 NC12CC(C(=O)O)(C1)C2 4257-5-03 [0,0,0,2,0,0|2,0,0]=4 348 B8R0.28 C=C(C)CCCC(=O)O 2321-1-18 [1,0,0,0,0,1|0,0,2]=4 349 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [1,0,0,0,0,1|1,0,1]=4 350 B8R0.28 CC(=O)CCCC(C)C 2117-1-0E [1,0,0,0,0,1|1,0,0]=3 351 B8R0.28 CC(=O)CCCN(C)C 4156-1-51 [1,0,0,0,0,1|2,0,0]=4 352 B8R0.28 CC(=O)CCOC(C)C 2117-1-0F [1,0,0,0,0,1|1,0,0]=3 353 B8R0.28 CC(=O)COCC(C)F 2117-3-1F [1,0,0,0,0,1|2,0,0]=4 354 B8R0.28 CC(=O)OCCN(C)C 4132-1-05 [1,0,0,0,0,1|2,0,0]=4 355 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [1,0,0,0,0,1|0,0,0]=2 356 B8R0.28 CC(C)CCOC(=O)Cl 2116-5-27 [1,0,0,0,0,1|1,0,0]=3 357 B8R0.28 CC(C)CCO[N+](=O)[O-] 4254-1-03 [1,0,0,0,0,1|1,0,1]=4 358 B8R0.28 CN(C)C\C=C\C(=O)O 4358-5-32 [1,0,0,0,0,1|1,0,1]=4