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N=C(N)NCC(=O)O Z586248684 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.6 NC(=O)NCC(=O)O Z57009586 [2,0,0,0,0,0|1,0,0]=3 96 B7R0.6 O=C(O)CCC(=O)O Z57127453 [2,0,0,0,0,0|1,0,0]=3 97 B9R0.27 C=CC(C)C(N)C(=O)OC Z1592025232 [1,1,0,0,0,0|2,0,0]=4 98 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [1,1,0,0,0,0|2,0,0]=4 99 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [1,1,0,0,0,0|2,0,0]=4 101 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [1,1,0,0,0,0|2,0,0]=4 102 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [1,1,0,0,0,0|2,0,0]=4 103 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [1,1,0,0,0,0|2,0,0]=4 104 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [1,1,0,0,0,0|1,0,0]=3 106 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.42 CNC(=O)NC(C)C(=O)O Z223131756 [1,1,0,0,0,0|2,0,0]=4 108 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,1,0,0,0,0|1,0,0]=3 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C=C1CC(C1)(N)C(=O)O Z4456650800 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [1,0,0,1,0,0|1,0,0]=3 126 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|1,0,0]=3 127 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|2,0,0]=4 129 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Z1814367061 [0,0,0,1,0,1|2,0,0]=4 130 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O Z1270392248 [0,0,0,1,0,1|2,0,0]=4 131 B11R1.1389 O=C(O)[C@H]1C[C@](C1)(O)C(=O)O Z3271169452 [0,0,0,1,0,1|2,0,0]=4 132 B11R1.178 NC(=O)C1CNCC1C(=O)N Z2511841656 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.178 O=C(O)C1COCC1C(=O)O Z1262521635 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Z2307407859 [0,1,0,1,0,0|2,0,0]=4 135 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [1,0,0,0,0,1|2,0,0]=4 136 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,0,0,0,0,1|1,0,0]=3 137 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [1,0,0,0,0,1|2,0,0]=4 138 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [1,0,0,0,0,1|0,0,0]=2 139 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [1,0,0,0,0,1|0,0,0]=2 140 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [1,0,0,0,0,1|0,0,0]=2 141 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [1,0,0,0,0,1|1,0,0]=3 142 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [1,0,0,0,0,1|1,0,0]=3 143 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [1,0,0,0,0,1|1,0,0]=3 144 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [1,0,0,0,0,1|1,0,1]=4 145 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,0,0,0,0,1|2,0,0]=4 146 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,0,0,0,0,1|1,0,0]=3 147 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,0,0,0,0,1|1,0,0]=3 148 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,0,0,0,0,2|2,0,0]=4