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[1,0,0,0,0,0|2,0,1]=4 15 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,0,0,0,0,0|0,0,0]=1 42 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,0,0,0,0,0|0,0,0]=1 44 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,0,0,0,0,0|0,0,0]=1 45 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 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CC(NC(=O)C(=O)O)C(=O)O Z1262543836 [0,0,0,0,0,1|1,0,2]=4 61 B7R0.2 CCC(N)CC(=O)O Z1708090940 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.2 NCC(O)CC(=O)O Z1255390571 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [2,0,0,0,0,0|1,0,1]=4 66 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.5 CC(NC=O)C(=O)O Z56757230 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|1,0,1]=4 71 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|1,0,1]=4 72 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|0,0,1]=3 76 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [2,0,0,0,0,0|1,0,1]=4 78 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|0,0,1]=3 79 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|0,0,1]=3 80 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [2,0,0,0,0,0|1,0,1]=4 81 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [2,0,0,0,0,0|1,0,1]=4 82 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [2,0,0,0,0,0|1,0,1]=4 83 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [2,0,0,0,0,0|1,0,1]=4 85 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [2,0,0,0,0,0|1,0,1]=4 86 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [2,0,0,0,0,0|0,0,1]=3 87 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [2,0,0,0,0,0|0,0,1]=3 88 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [2,0,0,0,0,0|0,0,1]=3 89 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [2,0,0,0,0,0|1,0,1]=4 90 B7R0.6 CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.6 CC(=O)NCC(=O)O Z85886676 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.6 CC(O)CCC(=O)O Z838959470 [2,0,0,0,0,0|1,0,1]=4 93 B7R0.6 CS(=O)CCC(=O)O Z667974346 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.6 NC(=O)NCC(=O)O Z57009586 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [2,0,0,0,0,0|0,0,2]=4 96 B7R0.6 O=C(O)CCC(=O)O Z57127453 [2,0,0,0,0,0|0,0,0]=2 97 B9R0.27 C=CC(C)C(N)C(=O)OC Z1592025232 [1,1,0,0,0,0|2,0,0]=4 98 B9R0.27 CCC(N)C(O)C(=O)OC Z2232973431 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [1,1,0,0,0,0|2,0,0]=4 101 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [1,1,0,0,0,0|0,0,0]=2 102 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [1,1,0,0,0,0|2,0,0]=4 103 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.23 COC(=O)N(C)CC(=O)O Z319610256 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [1,1,0,0,0,0|2,0,0]=4 106 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [1,1,0,0,0,0|2,0,0]=4 108 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [1,1,0,0,0,0|0,0,0]=2 109 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [1,1,0,0,0,0|1,0,1]=4 110 B9R0.42 C=CC(=O)NC(O)C(=O)O Z1203731084 [1,1,0,0,0,0|2,0,0]=4 111 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|1,0,0]=3 112 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,1,0,0,0,0|0,0,0]=2 113 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [1,1,0,0,0,0|0,0,2]=4 114 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [1,1,0,0,0,0|1,0,0]=3 115 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [1,1,0,0,0,0|1,0,0]=3 116 B11R0.58 CCOC(=O)C(O)C(C)C(=O)C Z1513682752 [0,2,0,0,0,0|2,0,0]=4 117 B11R0.198 CC(O)(C(=O)O)C(C)(O)C(=O)O Z1262511826 [0,2,0,0,0,0|1,0,0]=3 118 B11R0.198 O=C(O)C(F)(F)C(F)(F)C(=O)O Z1203162147 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.132 N[C@H]1C(=O)OC[C@H]1CO Z4342606943 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.35 CC1=NOC(C1)C(=O)O Z1198309057 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [1,0,0,1,0,0|1,0,1]=4 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[1,0,0,1,0,0|1,0,0]=3 138 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|1,0,0]=3 139 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,0,0,1,0,1|2,0,0]=4 140 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,0,0,1,0,1|2,0,0]=4 141 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,0,0,1,0,1|2,0,0]=4 142 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,0,0,1,0,1|2,0,0]=4 143 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O Z1270392248 [0,0,0,1,0,1|1,0,0]=3 144 B11R1.1389 O=C(O)[C@H]1C[C@](C1)(O)C(=O)O Z3271169452 [0,0,0,1,0,1|1,0,0]=3 145 B11R1.159 O=C(O)[C@H]1NCC[C@H]([C@H]1O)O Z4130211458 [0,1,0,1,0,0|1,0,1]=4 146 B11R1.865 COC(=O)[C@@H]1NC[C@H]([C@H]1O)O Z4081402837 [0,1,0,1,0,0|1,0,1]=4 147 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.178 O=C(O)C1COCC1C(=O)O Z1262521635 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Z2307407859 [0,1,0,1,0,0|1,0,0]=3 150 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [1,0,0,0,0,1|2,0,0]=4 151 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,0,0,0,0,1|1,0,0]=3 152 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [1,0,0,0,0,1|2,0,0]=4 153 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [1,0,0,0,0,1|1,0,0]=3 154 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [1,0,0,0,0,1|1,0,0]=3 155 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [1,0,0,0,0,1|1,0,0]=3 156 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [1,0,0,0,0,1|0,0,0]=2 157 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [1,0,0,0,0,1|0,0,0]=2 158 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [1,0,0,0,0,1|0,0,0]=2 159 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [1,0,0,0,0,1|0,0,2]=4 160 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [1,0,0,0,0,1|0,0,2]=4 161 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [1,0,0,0,0,1|1,0,1]=4 162 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,0,0,0,0,1|1,0,0]=3 163 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,0,0,0,0,1|2,0,0]=4 164 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [1,0,0,0,0,1|2,0,0]=4 165 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,0,0,0,0,1|0,0,0]=2 166 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,0,0,0,0,2|1,0,0]=3