0 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [0,0,0,0,0,0|0,1,0]=1 2 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.39 N=C(N)NC(CS)C(=O)O Z1262518379 [0,0,0,0,0,0|2,1,0]=3 8 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [1,0,0,0,0,0|0,0,1]=2 14 B8R0.15 CCOC(CC)C(=O)O Z449367060 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.16 CC(=O)NC(CO)CO Z1203731713 [1,0,0,0,0,0|0,0,1]=2 16 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [1,0,0,0,0,0|0,0,0]=1 19 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [1,0,0,0,0,0|0,0,0]=1 20 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [1,0,0,0,0,0|0,0,0]=1 21 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [1,0,0,0,0,0|2,1,0]=4 40 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [1,0,0,0,0,0|2,0,0]=3 42 B10R0.23 C=CCC(NC(=O)C)C(=O)O Z432087554 [0,1,0,0,0,0|1,0,0]=2 43 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [0,1,0,0,0,0|1,0,0]=2 44 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [0,1,0,0,0,0|2,0,0]=3 45 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [0,1,0,0,0,0|2,0,1]=4 46 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [0,1,0,0,0,0|2,0,0]=3 47 B10R0.95 CS(=O)(=O)N[C@@H](CO)C(=O)O Z756471904 [0,1,0,0,0,0|1,0,0]=2 48 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Z1262524919 [0,1,0,0,0,0|3,0,0]=4 49 B10R0.162 CC(=O)NC(C(=O)O)C(C)C Z56346999 [0,1,0,0,0,0|1,0,0]=2 50 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C Z57032483 [0,1,0,0,0,0|1,0,0]=2 51 B10R0.162 CC(C)C(NC(=O)N)C(=O)O Z56862686 [0,1,0,0,0,0|2,0,0]=3 52 B10R0.162 CC(C)NC(C(=O)O)C(C)C Z449368982 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,0,0,1,0,0|1,0,0]=2 54 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,0,0,1,0,0|2,0,0]=3 55 B10R1.64 CC(=O)NC1CCSC1=O Z995084668 [0,0,0,1,0,0|1,1,0]=3 56 B10R1.113 CC(C)C1COCC(=O)N1 Z1203831510 [0,0,0,1,0,0|2,0,1]=4 57 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,0,0,1,0,0|1,0,1]=3 58 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,0,0,1,0,0|2,0,1]=4 59 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N Z2379579403 [0,0,0,1,0,0|2,0,1]=4 60 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,0,0,1,0,0|3,0,0]=4 61 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,0,0,1,0,0|1,0,0]=2 62 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,0,0,1,0,0|0,1,0]=2 63 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,0,0,1,0,0|2,0,0]=3 64 B10R1.282 CC1[C@@H]([C@H]1C(=O)O)C(=O)O Z2311222768 [0,0,0,1,0,0|3,0,0]=4 65 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,1,0,0|2,0,1]=4 66 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,0,0,1,0,0|1,1,1]=4 67 B10R1.361 NC(=O)C1CCC1C(=O)O Z1203638038 [0,0,0,1,0,0|3,0,0]=4 68 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Z2306736599 [0,0,0,1,0,0|3,0,0]=4 69 B10R1.442 CC(=O)CC1(CC1)C(=O)O Z2732453061 [0,0,0,1,0,0|2,0,0]=3 70 B10R1.442 CC(=O)NC1(CC1)C(=O)O Z1205494618 [0,0,0,1,0,0|1,0,0]=2 71 B10R1.442 CC(C)NC1(CC1)C(=O)O Z4570268872 [0,0,0,1,0,0|2,0,1]=4 72 B10R1.442 NC(=O)NC1(CC1)C(=O)O Z1203590286 [0,0,0,1,0,0|2,0,0]=3 73 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,0,0,0,1,0|2,0,1]=4 74 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,0,0,0,1,0|1,0,1]=3 75 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,0,0,0,1,0|2,0,0]=3 76 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,0,0,0,1,0|3,0,0]=4 77 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.5 CC(NC=O)C(=O)O Z56757230 [2,0,0,0,0,0|0,0,0]=2 79 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.5 CCNC(C)C(=O)O Z3181996310 [2,0,0,0,0,0|0,0,1]=3 81 B7R0.5 CCOC(C)C(=O)O Z316258934 [2,0,0,0,0,0|1,0,1]=4 82 B7R0.5 CNCC(C)C(=O)O Z1270387301 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.5 COCC(C)C(=O)O Z431541094 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.5 CSCC(C)C(=O)O Z732206684 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.12 O=CNC(CO)CO Z1259117052 [2,0,0,0,0,0|0,0,1]=3 86 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [2,0,0,0,0,0|0,0,2]=4 87 B7R0.15 CCC(NC)C(=O)O Z818727142 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.15 CCC(OC)C(=O)O Z449367058 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.15 CCC(SC)C(=O)O Z732206700 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.15 CNC(CN)C(=O)O Z1982493964 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.15 COC(CN)C(=O)O Z1603778808 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [2,0,0,0,0,0|1,0,1]=4 93 B7R0.2 NC(=O)NC(=O)CO Z431952046 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.6 CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|1,0,0]=3 95 B7R0.6 CC(=O)NCB(O)O Z1198183387 [2,0,0,0,0,0|1,0,1]=4 96 B7R0.6 CC(=O)NCC(=O)O Z85886676 [2,0,0,0,0,0|0,0,0]=2 97 B7R0.6 CC(=O)NCC(C)O Z353603952 [2,0,0,0,0,0|1,0,1]=4 98 B7R0.6 CC(C)NCC(=O)O Z359419672 [2,0,0,0,0,0|1,0,1]=4 99 B7R0.6 CS(=O)CCC(=O)O Z667974346 [2,0,0,0,0,0|2,0,0]=4 100 B7R0.6 N=C(N)NCC(=O)O Z586248684 [2,0,0,0,0,0|2,0,0]=4 101 B7R0.6 NC(=O)NCC(=O)O Z57009586 [2,0,0,0,0,0|1,0,0]=3 102 B7R0.6 O=C(O)CCC(=O)O Z57127453 [2,0,0,0,0,0|2,0,0]=4 103 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [2,0,0,0,0,0|2,0,0]=4 104 B9R0.12 CCNC(CC)C(=O)OC Z2903872428 [1,1,0,0,0,0|1,0,1]=4 105 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [1,1,0,0,0,0|1,0,1]=4 106 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [1,1,0,0,0,0|0,0,0]=2 108 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [1,1,0,0,0,0|2,0,0]=4 109 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [1,1,0,0,0,0|1,0,0]=3 110 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [1,1,0,0,0,0|2,0,0]=4 111 B9R0.42 C=CC(=O)NC(O)C(=O)O Z1203731084 [1,1,0,0,0,0|0,0,1]=3 112 B9R0.42 CC(NC(=O)CCl)C(=O)O Z235363005 [1,1,0,0,0,0|0,0,0]=2 113 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [1,1,0,0,0,0|0,0,0]=2 115 B9R0.42 CNC(=O)NC(C)C(=O)O Z223131756 [1,1,0,0,0,0|0,0,0]=2 116 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,1,0,0,0,0|2,0,0]=4 117 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [1,1,0,0,0,0|2,0,0]=4 118 B9R0.57 CC(NS(=O)(=O)C)C(=O)O Z45674775 [1,1,0,0,0,0|1,0,0]=3 119 B9R0.57 C[C@H](NS(=O)(=O)C)C(=O)O Z115596342 [1,1,0,0,0,0|1,0,0]=3 120 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [1,1,0,0,0,0|2,0,0]=4 121 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [1,1,0,0,0,0|2,0,0]=4 122 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [1,1,0,0,0,0|2,0,0]=4 123 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [1,1,0,0,0,0|2,0,0]=4 124 B9R0.54 CC(C)C(C(=O)O)C(=O)O Z1201617379 [0,1,0,0,1,0|2,0,0]=4 125 B9R0.72 CC(C)(C)C(CO)C(=O)O Z1205656785 [0,1,0,0,1,0|1,0,1]=4 126 B9R0.76 CCC(C)(C(=O)N)C(=O)O Z1203588411 [0,1,0,0,1,0|2,0,0]=4 127 B9R0.76 CCC(C)(C(=O)O)C(=O)O Z1205493706 [0,1,0,0,1,0|2,0,0]=4 128 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N Z1198152828 [0,1,0,0,0,1|0,0,2]=4 129 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O Z98657516 [0,1,0,0,0,1|0,0,1]=3 130 B11R0.115 CCC(C)C(NC(=O)N)C(=O)O Z56862687 [0,2,0,0,0,0|2,0,0]=4 131 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O Z98656805 [0,2,0,0,0,0|1,0,0]=3 132 B11R0.115 CNC(=O)C(NC(=O)C)C(C)C Z32015730 [0,2,0,0,0,0|2,0,0]=4 133 B11R0.160 CCCCC(NC(=O)N)C(=O)O Z425424974 [0,2,0,0,0,0|2,0,0]=4 134 B11R0.160 COCCC(NC(=O)C)C(=O)O Z979419978 [0,2,0,0,0,0|0,0,0]=2 135 B11R0.160 CSCCC(NC(=O)C)C(=O)O Z85883131 [0,2,0,0,0,0|0,1,0]=3 136 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O Z756444180 [0,2,0,0,0,0|0,1,0]=3 137 B11R0.236 CCC[C@@H](NC(=O)CN)C(=O)O Z3542998518 [0,2,0,0,0,0|1,0,0]=3 138 B11R0.108 CC(=O)C(NC(=O)CCl)C(C)C Z220565318 [0,2,0,0,0,0|2,0,0]=4 139 B11R0.108 CC(C)C(NC(=O)CCl)C(=O)O Z56968783 [0,2,0,0,0,0|1,0,0]=3 140 B11R0.108 COC(=O)NC(C(=O)O)C(C)C Z319610370 [0,2,0,0,0,0|1,0,0]=3 141 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C Z756432044 [0,2,0,0,0,0|1,0,0]=3 142 B11R0.56 CCOC(=O)C(C#N)NC(=O)C Z1255427198 [0,2,0,0,0,0|1,0,1]=4 143 B11R0.426 CC(C)C(NS(=O)(=O)C)C(=O)O Z45637395 [0,2,0,0,0,0|2,0,0]=4 144 B11R0.427 CC(=O)NC(C)(C(=O)O)C(C)C Z1147230513 [0,2,0,0,0,0|1,0,0]=3 145 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)C Z220518606 [0,2,0,0,0,0|1,0,0]=3 146 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)S Z239134016 [0,2,0,0,0,0|0,1,0]=3 147 B11R0.234 CC(C)(C)C(NC(=O)N)C(=O)O Z425416864 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|1,0,1]=4 151 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,0,0,1,0,0|1,0,1]=4 152 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [1,0,0,1,0,0|1,0,1]=4 153 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [1,0,0,1,0,0|0,0,1]=3 154 B9R1.6 O=C(O)C1COCCO1 Z362763682 [1,0,0,1,0,0|1,0,1]=4 155 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|1,0,1]=4 156 B9R1.22 CCC1NC(=O)NC1=O Z270832922 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.22 NCC1NC(=O)NC1=O Z5935085403 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.22 O=C1NC(=O)C(N1)CO Z425453006 [1,0,0,1,0,0|1,0,0]=3 159 B9R1.22 O=C1NC(=O)C(N1)CS Z235339363 [1,0,0,1,0,0|1,1,0]=4 160 B9R1.22 O=C1NC(=O)[C@@H](N1)CO Z1203747347 [1,0,0,1,0,0|1,0,0]=3 161 B9R1.33 O=CCC1CCOC1=O Z1511761046 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [1,0,0,1,0,0|1,0,1]=4 163 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [1,0,0,1,0,0|0,1,1]=4 164 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|1,0,1]=4 165 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [1,0,0,1,0,0|2,0,0]=4 166 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [1,0,0,1,0,0|1,0,0]=3 167 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [1,0,0,1,0,0|1,1,0]=4 168 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|2,0,0]=4 169 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|1,0,0]=3 170 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|2,0,0]=4 171 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,1,0,0|2,0,0]=4 172 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|1,0,0]=3 173 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|1,0,0]=3 174 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,1,0,0|0,0,0]=2 175 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [1,0,0,1,0,0|0,1,0]=3 176 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,1,0,0|1,0,0]=3 177 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [1,0,0,1,0,0|0,1,0]=3 179 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [1,0,0,1,0,0|1,0,0]=3 180 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,0,0,1,0,0|1,0,1]=4 181 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|1,0,1]=4 182 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [1,0,0,1,0,0|1,0,1]=4 183 B9R1.119 O=C(O)C1(CCC1)CO Z1263714391 [1,0,0,1,0,0|1,0,1]=4 184 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [1,0,0,1,0,0|1,0,1]=4 185 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [1,0,0,1,0,0|1,0,1]=4 186 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [1,0,0,1,0,0|1,0,1]=4 187 B9R1.69 CC1NC(=O)COC1=O Z1203734682 [1,0,0,1,0,0|0,0,0]=2 188 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.27 O=C1CCC(=O)N1CO Z336080046 [0,0,0,1,1,0|2,0,0]=4 193 B9R1.168 NC(=O)C1(CC1)C(=O)O Z951182684 [0,0,0,1,1,0|2,0,0]=4 194 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,0,0,1,0,1|2,0,0]=4 195 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,0,0,1,0,1|2,0,0]=4 196 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,0,0,1,0,1|1,0,0]=3 197 B11R1.166 CC1CC(=O)CCC1C(=O)O Z1262519171 [0,0,0,1,0,1|2,0,0]=4 198 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,0,0,1,0,1|1,0,0]=3 199 B11R1.727 CC1(CNC(CO1)C(=O)O)C Z1255416501 [0,0,0,1,0,1|1,0,1]=4 200 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,1,0,1,0,0|1,0,0]=3 201 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O Z1198153153 [0,1,0,1,0,0|1,0,1]=4 202 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [0,1,0,1,0,0|1,0,0]=3 203 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [0,1,0,1,0,0|1,0,0]=3 204 B11R1.178 CC(=O)N1CSCC1C(=O)O Z316101354 [0,1,0,1,0,0|0,1,0]=3 205 B11R1.178 NC(=O)N1CCCC1C(=O)O Z56889385 [0,1,0,1,0,0|2,0,0]=4 206 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Z360054132 [0,1,0,1,0,0|2,0,0]=4 207 B11R1.178 O=C(O)C1COCC1C(=O)O Z1262521635 [0,1,0,1,0,0|2,0,0]=4 208 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,1,0,1,0,0|1,0,0]=3 209 B11R1.730 CC1(COCC(N1)C(=O)O)C Z1739253890 [0,1,0,1,0,0|1,0,1]=4 210 B11R1.806 COCC(NC1CC1)C(=O)O Z1824511453 [0,1,0,1,0,0|1,0,1]=4 211 B11R1.929 CC(=O)CC1(CCC1)C(=O)O Z1836202432 [0,1,0,1,0,0|2,0,0]=4 212 B11R1.228 O=C(CCl)NC1CCSC1=O Z561159788 [0,1,0,1,0,0|1,1,0]=4 213 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O Z4767064022 [0,1,0,1,0,0|1,0,1]=4 214 B11R1.1493 COC(=O)CC1(CC1)C(=O)O Z1376902510 [0,1,0,1,0,0|2,0,0]=4 215 B11R1.23 COC(=O)C1CCCC(=O)C1 Z1198183330 [0,1,0,1,0,0|2,0,0]=4 216 B11R1.23 COC(=O)C1CCCC(=O)N1 Z1198314890 [0,1,0,1,0,0|1,0,0]=3 217 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [0,1,0,1,0,0|1,0,0]=3 218 B11R1.731 CS(=O)(=O)N1CCC1C(=O)O Z2185544754 [0,1,0,1,0,0|2,0,0]=4 219 B11R1.732 CC(=O)[C@@H]1[C@H](C1(C)C)C(=O)O Z4283449312 [0,1,0,1,0,0|2,0,0]=4 220 B11R2.612 O=C1N[C@H]([C@@H]2[C@H]1C2)C(=O)O Z3638167617 [0,0,0,2,0,0|1,0,0]=3 221 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [1,0,0,0,1,0|1,0,0]=3 222 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [1,0,0,0,1,0|2,0,0]=4 223 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [1,0,0,0,1,0|2,0,0]=4 224 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [1,0,0,0,1,0|1,0,0]=3 225 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,0,0,0,1,0|1,0,1]=4 226 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,0,0,0,1,0|1,0,1]=4 227 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,0,0,0,1,0|0,0,2]=4 228 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [1,0,0,0,1,0|2,0,0]=4 229 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [1,0,0,0,1,0|2,0,0]=4 230 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [1,0,0,0,1,0|1,0,0]=3 231 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,0,0,0,0,1|2,0,0]=4 232 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,0,0,0,0,1|2,0,0]=4 233 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,0,0,0,0,1|1,0,0]=3 234 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,0,0,0,0,1|2,0,0]=4 235 B11R0.143 CC(=O)OCC(CO)OC(=O)C Z1198148277 [0,0,0,0,0,2|2,0,0]=4