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Z235342013 [0,1,0,0,0,0|0,0,0]=1 15 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O Z1123702071 [0,1,0,0,0,0|1,0,1]=3 16 B12R0.151 COC(=O)NC(CC(C)C)C(=O)O Z319610352 [0,1,0,0,0,0|0,0,0]=1 17 B12R0.393 CC(C)(C)CC(CC(=O)O)C(=O)O Z1509078603 [0,1,0,0,0,0|2,0,0]=3 18 B12R0.393 CC(C)CC(NS(=O)(=O)C)C(=O)O Z45637115 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.127 CC(C)C[C@H]1NC(=O)CNC1=O Z1509163043 [0,0,0,1,0,0|1,0,0]=2 20 B12R1.844 CC1(CC(C(=O)O1)CC(=O)O)C Z1198157037 [0,0,0,1,0,0|2,0,0]=3 21 B12R1.850 CC(=O)N1C[C@@H](C[C@@H]1C(=O)O)O Z1250093582 [0,0,0,1,0,0|1,0,0]=2 22 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O Z1160837276 [0,0,0,1,0,0|1,0,0]=2 23 B12R1.850 CC(=O)N1C[C@H](C[C@@H]1C(=O)O)O Z1262515248 [0,0,0,1,0,0|1,0,0]=2 24 B12R1.850 CC1CC(C(C1)C(=O)O)C(=O)O Z1723429135 [0,0,0,1,0,0|2,0,0]=3 25 B12R1.850 NC(=O)N1CC(CC1C(=O)O)O Z56876515 [0,0,0,1,0,0|2,0,0]=3 26 B12R1.3005 O=C1CS(=O)(=O)CC(N1)C(=O)O Z2732688911 [0,0,0,1,0,0|3,0,0]=4 27 B10R0.162 CC(=O)NC(C(=O)O)C(C)C Z56346999 [0,0,0,0,1,0|0,0,0]=1 28 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C Z57032483 [0,0,0,0,1,0|0,0,0]=1 29 B10R0.162 CC(C)/C(=C\C(=O)O)/C(=O)O Z1262511666 [0,0,0,0,1,0|2,0,1]=4 30 B10R0.162 CC(C)C(CN(C)C)C(=O)O Z4877837656 [0,0,0,0,1,0|2,0,1]=4 31 B10R0.162 CC(C)C(NC(=O)N)C(=O)O Z56862686 [0,0,0,0,1,0|1,0,0]=2 32 B10R0.162 CC(C)CC(C(=O)N)C(=O)O Z1262518071 [0,0,0,0,1,0|1,0,0]=2 33 B10R0.162 CC(C)CC(C(=O)O)C(=O)O Z1198161254 [0,0,0,0,1,0|1,0,0]=2 34 B10R0.162 CC(C)CC(C(=O)O)C(C)C Z756391614 [0,0,0,0,1,0|1,0,1]=3 35 B10R0.162 CC(C)NC(C(=O)O)C(C)C Z449368982 [0,0,0,0,1,0|1,0,1]=3 36 B10R0.162 CN(C)[C@H](CC(=O)O)C(=O)O Z1262526606 [0,0,0,0,1,0|3,0,0]=4 37 B10R0.162 O=C(O)C(CC(F)F)C(=O)O Z1255497592 [0,0,0,0,1,0|3,0,0]=4 38 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O Z85900147 [0,0,0,0,0,1|2,0,1]=4 39 B12R0.138 CC(=O)NC(CCC(C)C)C(=O)O Z1201004109 [0,0,0,0,0,1|0,0,0]=1 40 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O Z756456072 [0,0,0,0,0,1|2,0,1]=4 41 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O Z98654650 [0,0,0,0,0,1|2,0,1]=4 42 B12R0.138 CC(C)CC(CCC(=O)O)C(=O)O Z1262514718 [0,0,0,0,0,1|2,0,0]=3 43 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [2,0,0,0,0,0|1,0,1]=4 44 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [2,0,0,0,0,0|1,0,0]=3 45 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [2,0,0,0,0,0|1,0,0]=3 46 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [2,0,0,0,0,0|1,0,1]=4 47 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [2,0,0,0,0,0|0,0,1]=3 49 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [2,0,0,0,0,0|1,0,0]=3 50 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [2,0,0,0,0,0|1,0,1]=4 51 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [2,0,0,0,0,0|1,0,0]=3 52 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [2,0,0,0,0,0|2,0,0]=4 53 B11R0.115 CCC(C)C(NC(=O)N)C(=O)O Z56862687 [1,1,0,0,0,0|1,0,0]=3 54 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O Z98656805 [1,1,0,0,0,0|0,0,0]=2 55 B11R0.160 CCCCC(NC(=O)N)C(=O)O Z425424974 [1,1,0,0,0,0|1,0,0]=3 56 B11R0.160 COCCC(NC(=O)C)C(=O)O Z979419978 [1,1,0,0,0,0|0,0,0]=2 57 B11R0.160 CSCCC(NC(=O)C)C(=O)O Z85883131 [1,1,0,0,0,0|0,0,0]=2 58 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O Z756444180 [1,1,0,0,0,0|0,0,0]=2 59 B11R0.236 CCC[C@@H](NC(=O)CN)C(=O)O Z3542998518 [1,1,0,0,0,0|0,0,0]=2 60 B11R0.108 CC(=O)C(NC(=O)CCl)C(C)C Z220565318 [0,1,0,0,1,0|1,0,0]=3 61 B11R0.108 CC(C)C(NC(=O)CCl)C(=O)O Z56968783 [0,1,0,0,1,0|0,0,0]=2 62 B11R0.108 COC(=O)NC(C(=O)O)C(C)C Z319610370 [0,1,0,0,1,0|0,0,0]=2 63 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C Z756432044 [0,1,0,0,1,0|0,0,0]=2 64 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)C Z220518606 [0,1,0,0,1,0|0,0,0]=2 65 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)S Z239134016 [0,1,0,0,1,0|0,0,0]=2 66 B11R0.234 CC(C)(C)C(NC(=O)N)C(=O)O Z425416864 [0,1,0,0,1,0|1,0,0]=3 67 B11R0.426 CC(C)C(NS(=O)(=O)C)C(=O)O Z45637395 [0,1,0,0,1,0|1,0,0]=3 68 B11R0.427 CC(=O)NC(C)(C(=O)O)C(C)C Z1147230513 [0,1,0,0,1,0|0,0,0]=2 69 B13R0.432 CCC(C)CNC(CC(C)C)C(=O)O Z839074856 [0,1,0,0,0,1|1,0,1]=4 70 B13R0.432 CCC(C)CN[C@@H](CC(C)C)C(=O)O Z2353783338 [0,1,0,0,0,1|1,0,1]=4 71 B13R0.432 CCC(C)CN[C@H](CC(C)C)C(=O)O Z2353785009 [0,1,0,0,0,1|1,0,1]=4 72 B13R0.613 CC(C)C[C@@H](NC(=O)C(=O)O)C(=O)O Z1508954410 [0,1,0,0,0,1|1,0,0]=3 73 B13R0.613 CC(C)C[C@H](NC(C)C(=O)O)C(=O)O Z3823630029 [0,1,0,0,0,1|1,0,0]=3 74 B13R0.200 COC(=O)C(CC(C)C)NC(=O)CCl Z147651656 [0,2,0,0,0,0|0,0,0]=2 75 B13R0.83 CCOC(=O)C(CC(C)C)NC(=O)C Z56760737 [0,2,0,0,0,0|0,0,0]=2 76 B13R0.888 COC(=O)C(CC(C)C)NS(=O)(=O)C Z56166170 [0,2,0,0,0,0|1,0,0]=3 77 B11R1.74 CC1CC(CC(C1)C(=O)O)C Z1249998224 [1,0,0,1,0,0|1,0,1]=4 78 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [1,0,0,1,0,0|2,0,0]=4 79 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [1,0,0,1,0,0|0,0,0]=2 80 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [1,0,0,1,0,0|0,0,1]=3 81 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [1,0,0,1,0,0|0,0,0]=2 82 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [1,0,0,1,0,0|0,0,0]=2 83 B11R1.178 CC(=O)N1CSCC1C(=O)O Z316101354 [1,0,0,1,0,0|1,0,0]=3 84 B11R1.178 CC(C)N1CCCC1C(=O)O Z424762070 [1,0,0,1,0,0|1,0,1]=4 85 B11R1.178 CC(C)[C@@H]1CCO[C@@H]1C(=O)O Z2310169937 [1,0,0,1,0,0|1,0,1]=4 86 B11R1.178 CC(C)[C@@H]1CNC[C@H]1C(=O)O Z2307018221 [1,0,0,1,0,0|2,0,0]=4 87 B11R1.178 NC(=O)N1CCCC1C(=O)O Z56889385 [1,0,0,1,0,0|1,0,0]=3 88 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Z360054132 [1,0,0,1,0,0|1,0,0]=3 89 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [1,0,0,1,0,0|2,0,0]=4 90 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [1,0,0,1,0,0|0,0,0]=2 91 B11R1.645 CC(C)CC1NC(=O)NC1=O Z56862690 [1,0,0,1,0,0|1,0,0]=3 92 B11R1.730 CC1(CCCC(C1)C(=O)O)C Z1229795777 [1,0,0,1,0,0|1,0,1]=4 93 B11R1.730 CC1(CCNC(C1)C(=O)O)C Z2306604258 [1,0,0,1,0,0|0,0,1]=3 94 B11R1.730 CC1(CNCC(C1)C(=O)O)C Z3753017050 [1,0,0,1,0,0|2,0,0]=4 95 B11R1.929 CC(=O)CC1(CCC1)C(=O)O Z1836202432 [1,0,0,1,0,0|1,0,0]=3 96 B11R1.929 CC(C)CC1(CCC1)C(=O)O Z1255468300 [1,0,0,1,0,0|1,0,1]=4 97 B11R1.929 O=C(O)CC1(CCC1)C(=O)O Z1262513713 [1,0,0,1,0,0|2,0,0]=4 98 B11R1.167 CC1CCC(C(N1)C(=O)O)C Z4075226032 [0,0,0,1,1,0|1,0,1]=4 99 B11R1.488 CN1CC(CC1C(=O)O)(C)C Z3325036964 [0,0,0,1,1,0|2,0,0]=4 100 B11R1.489 CC1(NC(=O)CC1C(=O)O)C Z2681264981 [0,0,0,1,1,0|2,0,0]=4 101 B11R1.489 CC1(OC(=O)CC1C(=O)O)C Z1201617404 [0,0,0,1,1,0|2,0,0]=4 102 B11R1.581 CC1CC(C1)(C(=O)O)C(=O)O Z1262516283 [0,0,0,1,1,0|1,0,0]=3 103 B11R1.732 CC(=O)[C@@H]1[C@H](C1(C)C)C(=O)O Z4283449312 [0,0,0,1,1,0|1,0,0]=3 104 B11R1.732 CC1([C@H]([C@H]1C(=O)O)C(=O)O)C Z1198166016 [0,0,0,1,1,0|2,0,0]=4 105 B11R1.1381 O=C(O)C(CC1CC1)C(=O)O Z1198161252 [0,0,0,1,1,0|1,0,0]=3 106 B13R1.8761 CC(=O)N1C(CCC1(C)C)C(=O)O Z1255398022 [0,0,0,1,0,1|0,0,0]=2 107 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)O)(F)F Z2739903806 [0,1,0,1,0,0|1,0,0]=3 108 B13R1.1046 CC(=O)N1CS(=O)(=O)CC1C(=O)O Z1269158080 [0,1,0,1,0,0|2,0,0]=4 109 B13R1.2988 CO[C@H]1C[C@@H](N(C1)C(=O)C)C(=O)O Z1753047959 [0,1,0,1,0,0|0,0,0]=2 110 B13R1.8853 CC(=O)N[C@H](CC1CCC1)C(=O)O Z1888396399 [0,1,0,1,0,0|0,0,0]=2 111 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [1,0,0,0,1,0|1,0,1]=4 112 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [1,0,0,0,1,0|2,0,0]=4 113 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [1,0,0,0,1,0|0,0,1]=3 114 B9R0.33 CCSC(C(=O)O)C(C)C Z332377408 [1,0,0,0,1,0|1,0,1]=4 115 B9R0.54 CC(C)C(C(=O)O)C(=O)O Z1201617379 [0,0,0,0,2,0|1,0,0]=3 116 B9R0.54 CC(C)C(C(=O)O)C(C)N Z2357417371 [0,0,0,0,2,0|1,0,1]=4 117 B9R0.54 CC(C)C(C(=O)O)N(C)C Z1259273255 [0,0,0,0,2,0|2,0,0]=4 118 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C Z1198175490 [0,0,0,0,2,0|2,0,0]=4 119 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C Z1205495496 [0,0,0,0,2,0|2,0,0]=4