0 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,0,0,0,0,0|1,0,1]=2 16 B8R0.23 N[C@@H](CS(=O)O)C(=O)O A69057 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,0,0,0,0,0|0,0,1]=2 34 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,0,0,0,0,0|0,0,1]=2 36 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,0,0,0,0,0|0,0,1]=2 37 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.5 NOC[C@H](N)C(=O)O A39931 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,0,0,0,0,0|0,0,2]=3 41 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,0,0,0,0,0|0,1,1]=3 42 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,0,0,0,0,0|0,0,2]=3 43 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,0,0,0,0,0|0,1,1]=3 44 B7R0.6 CC(=O)CCC(C)=O H64912 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.6 CC(=O)CNC(C)=O X41261 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.6 CN(C)CCC(=O)O D41335 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.6 NC(=O)CCC(=O)O A63078 [1,0,0,0,0,0|0,0,0]=1 48 B7R0.6 O=C(O)CCC(F)F D59737 [1,0,0,0,0,0|2,0,1]=4 49 B9R0.11 CC(C)(CC(=O)O)C(=O)O D68876 [0,1,0,0,0,0|2,0,0]=3 50 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A43930 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.23 COC(=O)[C@@H](C)NC(C)=O M41515 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A36981 [0,1,0,0,0,0|1,0,0]=2 53 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O A41513 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.42 COC(=O)C[C@@H](C)C(=O)O M41477 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [0,1,0,0,0,0|1,0,0]=2 60 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [0,1,0,0,0,0|1,0,0]=2 61 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O C54074 [0,1,0,0,0,0|2,0,0]=3 64 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O D40113 [0,1,0,0,0,0|2,0,0]=3 65 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O C54073 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.35 NC1=CNC(C(=O)O)=N1 A20425 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.35 NC1=N[C@H](C(=O)O)CS1 A61601 [0,0,0,1,0,0|2,1,0]=4 68 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,0,0,1,0,0|1,0,1]=3 75 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,0,0,1,0,0|1,0,1]=3 76 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43384 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43553 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,0,0,1,0,0|1,0,1]=3 81 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,0,0,1,0,0|1,0,2]=4 84 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,0,0,1,0,0|1,0,2]=4 85 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,0,0,1,0,0|1,1,1]=4 86 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,0,0,1,0,0|2,0,1]=4 87 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,0,0,1,0,0|1,1,1]=4 90 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,0,0,1,0,0|1,0,2]=4 93 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,0,0,1,0,0|1,0,2]=4 94 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,0,0,1,0,0|1,0,2]=4 97 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,0,0,1,0,0|1,0,0]=2 105 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [0,0,0,1,0,0|1,0,0]=2 106 B9R1.35 O=C1NC=C(C(=O)O)N1 X40079 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.69 CN1CC(=O)NCC1=O M15489 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,0,0,1,0,0|2,0,1]=4 110 B9R1.152 C=C1CC(C)(C(=O)O)C1 M15409 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.152 CC1(C(=O)O)CC(=O)C1 M11657 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A14827 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A20733 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 SB7324 [0,0,0,1,0,0|2,0,1]=4 115 B9R1.152 NC1(C(=O)O)CC(F)C1 A13108 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 A13111 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 A13110 [0,0,0,1,0,0|2,0,1]=4 118 B9R1.161 NC(=O)C1CC1C(=O)O C29921 [0,0,0,1,0,0|1,0,0]=2 119 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O C29917 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O C29916 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.164 O=C(O)C1CS(=O)(=O)C1 T37573 [0,0,0,1,0,0|3,0,0]=4 122 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,0,0,0,1,0|2,0,1]=4 123 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,0,0,0,1,0|1,0,2]=4 124 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,0,0,0,1,0|1,0,2]=4 125 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,0,0,0,1,0|1,0,1]=3 126 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,0,0,0,1,0|1,0,2]=4 127 B7R0.16 NC(=O)C(N)C(N)=O A39875 [0,0,0,0,1,0|1,0,0]=2 128 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,0,0,0,0,1|1,0,0]=2 129 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,0,0,0,0,1|2,0,1]=4 130 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [0,0,0,0,0,1|2,0,0]=3 131 B9R0.7 N=C(N)NC[C@H](N)C(=O)O A40356 [0,0,0,0,0,1|1,0,0]=2 132 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O G69583 [0,0,0,0,0,1|1,0,0]=2 133 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] H41308 [0,0,0,0,0,1|2,0,1]=4 134 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,0,0,0,0,1|2,0,1]=4 135 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,0,0,0,0,1|2,0,1]=4 136 B9R0.53 CN(CC(=O)O)CC(=O)O M67937 [0,0,0,0,0,1|3,0,0]=4 137 B6R0.1 C=CC[C@@H](N)CO A41325 [2,0,0,0,0,0|1,0,1]=4 138 B6R0.2 C[C@@H](N)CC(=O)O A37837 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.2 C[C@@H](N)CC(=O)O A40348 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.2 C[C@H](N)CC(=O)O A40265 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.2 C[C@H](O)CC(=O)O H38871 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.2 N=C(N)CC(N)=O M69124 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.4 C#CCCC(=O)O P68088 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.4 C=CCCC(=O)O P37823 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.4 C=CCCC(N)=O P5022 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.4 N#CCCC(=O)O C69146 [2,0,0,0,0,0|0,0,2]=4 151 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.3 C=C[C@H](C)C(=O)O M60559 [2,0,0,0,0,0|1,0,1]=4 155 B6R0.3 C=C[C@H](N)C(=O)O A40334 [2,0,0,0,0,0|0,0,1]=3 156 B6R0.3 CC[C@@H](C)C(=O)O M40381 [2,0,0,0,0,0|1,0,1]=4 157 B6R0.3 CC[C@@H](N)C(N)=O A40305 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.3 CC[C@H](N)C(=O)O A40349 [2,0,0,0,0,0|0,0,1]=3 159 B6R0.3 CC[C@H](N)C(=O)O A68376 [2,0,0,0,0,0|0,0,1]=3 160 B6R0.3 CC[C@H](N)C(N)=O A64477 [2,0,0,0,0,0|1,0,1]=4 161 B6R0.3 CC[C@H](O)C(=O)O H23105 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.3 C[C@H](CN)C(=O)O A40352 [2,0,0,0,0,0|1,0,0]=3 163 B6R0.3 NC(=O)[C@H](N)CO A39930 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.3 NC[C@@H](O)C(=O)O A39878 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.3 NC[C@H](N)C(=O)O D39929 [2,0,0,0,0,0|0,0,0]=2 166 B6R0.3 NC[C@H](O)C(=O)O S39877 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.3 N[C@@H](CS)C(=O)O A39926 [2,0,0,0,0,0|0,1,0]=3 168 B6R0.3 N[C@H](CCl)C(=O)O A39869 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.3 N[C@H](CCl)C(=O)O A63558 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.3 N[C@H](CS)C(=O)O A37860 [2,0,0,0,0,0|0,1,0]=3 171 B6R0.3 N[C@H](CS)C(=O)O C67456 [2,0,0,0,0,0|0,1,0]=3 172 B6R0.3 N[C@H](CS)C(=O)O C69203 [2,0,0,0,0,0|0,1,0]=3 173 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.3 O=C(O)[C@@H](O)CO D38851 [2,0,0,0,0,0|1,0,1]=4 175 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [1,1,0,0,0,0|1,0,0]=3 177 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,1,0,0,0,0|1,0,1]=4 178 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [1,1,0,0,0,0|1,0,0]=3 181 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [1,1,0,0,0,0|1,0,1]=4 183 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [1,1,0,0,0,0|0,1,1]=4 184 B8R0.12 C=CCC(C)(C)C(=O)O D38170 [1,1,0,0,0,0|2,0,0]=4 185 B8R0.12 C=CCC(F)(F)C(=O)O D68045 [1,1,0,0,0,0|2,0,0]=4 186 B8R0.9 COC(=O)CCC(=O)Cl C6883 [1,1,0,0,0,0|1,0,0]=3 187 B8R0.9 COC(=O)CCC(=O)O M37827 [1,1,0,0,0,0|1,0,0]=3 188 B8R0.9 COC(=O)NCC(=O)O M40229 [1,1,0,0,0,0|2,0,0]=4 189 B8R0.29 CS(=O)(=O)CCC(=O)O M40261 [1,1,0,0,0,0|2,0,0]=4 190 B8R0.29 NS(=O)(=O)CCC(=O)O A9689 [1,1,0,0,0,0|1,0,0]=3 191 B8R0.37 CC(C)(C(=O)O)C(=O)O D67941 [0,1,0,0,1,0|2,0,0]=4 192 B8R0.37 CC(C)(C(N)=O)C(N)=O D40372 [0,1,0,0,1,0|2,0,0]=4 193 B8R0.37 O=C(O)C(F)(F)C(=O)O D20167 [0,1,0,0,1,0|2,0,0]=4 194 B8R0.37 O=C(O)C(O)(O)C(=O)O D36751 [0,1,0,0,1,0|2,0,0]=4 195 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O A41520 [0,1,0,0,0,1|1,0,0]=3 196 B10R0.43 O=C(O)CCC(F)(F)C(=O)O D28095 [0,1,0,0,0,1|2,0,0]=4 197 B10R0.57 COC(=O)[C@H](N)CCC(=O)O A43462 [0,1,0,0,0,1|1,0,0]=3 198 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O A69603 [0,1,0,0,0,1|1,0,0]=3 199 B10R0.82 COC(=O)CC[C@H](N)C(=O)O A68700 [0,1,0,0,0,1|1,0,0]=3 200 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O D60267 [0,1,0,0,0,1|1,0,0]=3 201 B10R0.165 CC(C)(CC(=O)O)CC(=O)O D67976 [0,1,0,0,0,1|2,0,0]=4 202 B10R0.141 COC(=O)C(C)(C)CC(=O)O M38661 [0,2,0,0,0,0|2,0,0]=4 203 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC D38517 [0,2,0,0,0,0|1,0,0]=3 204 B10R0.46 COC(=O)C[C@H](N)C(=O)OC A61977 [0,2,0,0,0,0|1,0,0]=3 205 B10R0.46 COC(=O)C[C@H](N)C(=O)OC D68297 [0,2,0,0,0,0|1,0,0]=3 206 B10R0.23 CNC[C@H](NC(C)=O)C(=O)O A41539 [0,2,0,0,0,0|2,0,0]=4 207 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.18 NN1CC(=O)NC1=O A39913 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.7 O=C(O)C1CC=CC1 C11537 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,1,0,0|1,0,1]=4 221 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.23 NC1CC(C(=O)O)C1 A12181 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [1,0,0,1,0,0|0,0,0]=2 232 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.78 NC1(C(=O)O)CCC1 A10609 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.78 NC1(C(=O)O)CCC1 A26979 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.78 NC1(C(=O)O)CNC1 A6058 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.78 NC1(C(=O)O)COC1 A5828 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.3 CC1=NNC(=O)CC1 M41199 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.3 O=C1CCC(=O)NC1 P24057 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.3 O=C1CNC(=O)CN1 P61806 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.3 O=C1COC(=O)CO1 D40112 [1,0,0,1,0,0|2,0,0]=4 244 B10R1.13 O=C1CCC(C(=O)O)=NN1 X61638 [0,0,0,1,0,1|0,0,2]=4 245 B10R1.13 O=C1CCC(C(=O)O)CC1 X12147 [0,0,0,1,0,1|2,0,0]=4 246 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 X1308 [0,0,0,1,0,1|1,0,0]=3 247 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 X1728 [0,0,0,1,0,1|1,0,0]=3 248 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 X41365 [0,0,0,1,0,1|1,0,0]=3 249 B10R1.349 CC(=O)N1CC(C(=O)O)C1 A43387 [0,0,0,1,0,1|2,0,0]=4 250 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)C1 C43314 [0,0,0,1,0,1|2,0,0]=4 251 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 D13170 [0,0,0,1,0,1|2,0,0]=4 252 B10R1.14 COC(=O)C1=CC(=O)NN1 M67365 [0,1,0,1,0,0|0,0,2]=4 253 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 M43316 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 M14939 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 M5245 [0,1,0,1,0,0|1,0,0]=3 256 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 M14938 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 O3033 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.408 COC(=O)C1CC1C(=O)O M29613 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O M29871 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O M60222 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.424 COC(=O)C1(C)CC(=O)C1 M11707 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 X43724 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 X1724 [0,1,0,1,0,0|1,0,0]=3 264 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O C13294 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O C19976 [0,1,0,1,0,0|2,0,0]=4 266 B8R0.28 CC(=O)CCCC(=O)O A41468 [1,0,0,0,0,1|1,0,0]=3 267 B8R0.28 CC(=O)NCCC(=O)O A60540 [1,0,0,0,0,1|1,0,0]=3 268 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O A41518 [0,0,0,0,0,2|1,0,0]=3 269 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O A41519 [0,0,0,0,0,2|1,0,0]=3