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CSCC(N)C(=O)O Z317025996 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.1 C=CCC(N)CO Z1815149150 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.1 CCC(N)CCO Z1258578227 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.1 COCC(N)CO Z1945984156 [1,0,0,0,0,0|1,1,1]=4 28 B6R0.1 CSCC(C)CO Z1270310211 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.1 CSCC(O)CO Z1126770422 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 CC(CN)C(=O)O Z431542704 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.3 CC(CO)C(=O)O Z431541400 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.3 CC(O)C(N)CN Z1250080890 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 CCC(N)C(=O)O Z104495144 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 CCC(O)C(=O)N Z965049008 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.3 COC(C)C(=O)O Z316258898 [1,0,0,0,0,0|2,1,0]=4 46 B6R0.3 CSC(C)C(=O)O Z149191750 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.3 NC(CO)C(=O)O Z57396986 [1,0,0,0,0,0|0,0,0]=1 48 B6R0.3 NC(CS)C(=O)O Z966690626 [1,0,0,0,0,0|0,0,0]=1 49 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,0,0,0,0,0|0,0,0]=1 53 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,0,0,0,0,0|0,0,0]=1 54 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,0,0,0,0,0|0,0,0]=1 55 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.4 C=CCCC(=O)C Z406376894 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 CC(=O)CCC#N Z1251352415 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 CCNCC(=O)O Z744593094 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.4 CCOCC(=O)O Z104495232 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|2,1,0]=4 66 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|2,1,0]=4 67 B6R0.4 COCCC(=O)O Z285184634 [1,0,0,0,0,0|1,1,0]=3 68 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.4 CSCCC(=N)N Z1266823407 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|1,0,0]=2 71 B6R0.4 N#CCCC(=O)N Z57160408 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 NC(=O)OCCO Z1198158440 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.4 NCCCC(=O)N Z398513418 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.4 NCCCC(=O)O Z104475620 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.4 O=C(O)C#CCO Z1198169479 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.4 O=C(O)CCCS Z147642510 [1,0,0,0,0,0|1,1,0]=3 80 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,1,0,0,0,0|3,0,0]=4 81 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,0,0|3,0,0]=4 88 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,0,0,0,0|2,1,0]=4 91 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,1,0,0,0,0|3,0,0]=4 96 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,1,0,0,0,0|3,0,0]=4 99 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,1,0,0,0,0|3,0,0]=4 100 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,1,0,0,0,0|3,0,0]=4 101 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,1,0,0,0,0|2,0,0]=3 105 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,0,0,0,0|3,0,0]=4 106 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,0,0,0,0|2,0,0]=3 109 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,0,0,0,0|2,0,0]=3 110 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,1,0,0,0,0|2,1,0]=4 111 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,1,0,0,0,0|1,1,0]=3 112 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,1,0,0,0,0|1,0,0]=2 114 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,1,0,0,0,0|1,0,0]=2 115 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,1,0,0,0,0|1,0,0]=2 117 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,1,0,0,0,0|1,0,0]=2 118 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,1,0,0,0,0|3,0,0]=4 119 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,1,0,0,0,0|2,0,0]=3 122 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,1,0,0,0,0|3,0,0]=4 125 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,1,0,0,0,0|2,1,0]=4 130 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,1,0,0,0,0|2,1,0]=4 131 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,1,0,0,0,0|1,1,0]=3 132 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,1,0,0,0,0|2,1,0]=4 133 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,1,0,0,0,0|3,0,0]=4 135 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,1,0,0,0,0|3,0,0]=4 136 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,1,0,0,0,0|2,0,0]=3 137 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,1,0,0,0,0|3,0,0]=4 138 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,1,0,0,0,0|1,1,0]=3 139 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,1,0,0,0,0|2,1,0]=4 140 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,0|3,0,0]=4 144 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,0|3,0,0]=4 149 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,0,0,0,0|3,0,0]=4 151 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,0,0|1,0,2]=4 152 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,0|1,0,1]=3 155 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,0|1,0,1]=3 156 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,0|1,0,0]=2 159 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,1,0,0,0,0|2,0,0]=3 160 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,0|2,0,0]=3 165 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.5 NC1CCCNC1=O Z993991168 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.5 NC1CCOCC1O Z2688974552 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,1,0,0|1,0,2]=4 176 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,1,0,0|1,0,0]=2 190 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,0,0,1,0,0|3,0,0]=4 210 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,0,0,1,0,0|3,0,0]=4 213 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,0,0,1,0,0|3,0,0]=4 214 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,0,0,1,0,0|3,0,0]=4 215 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,0,0,1,0,0|2,1,0]=4 216 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,0,0,1,0,0|3,0,0]=4 217 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,0,0,1,0,0|2,0,0]=3 220 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,0,0,1,0,0|3,0,0]=4 221 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,0,0,1,0,0|3,0,0]=4 222 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,0,0,1,0,0|3,0,0]=4 223 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,0,0,0,0,1|3,0,0]=4 224 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,0,0,0,0,1|3,0,0]=4 225 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,0,0,0,0,1|3,0,0]=4 226 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,0,0,0,0,1|2,1,0]=4 227 B5R0.1 C#CCC(=O)O Z295890060 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,0,0]=3 229 B5R0.1 CC(N)CCO Z385458430 [2,0,0,0,0,0|1,0,1]=4 230 B5R0.1 CC(O)CCO Z104473530 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|1,0,0]=3 233 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|2,0,0]=4 234 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,1,0]=4 235 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.1 CSCC(C)O Z732208306 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.1 C[C@@H](N)CCO Z1526453858 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.1 N#CCC(=O)O Z104476112 [2,0,0,0,0,0|1,0,1]=4 239 B5R0.1 N=C(N)CCO Z1198394167 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|1,0,0]=3 241 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|2,0,0]=4 242 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|1,0,0]=3 243 B5R0.1 NOCC(=O)O Z90662171 [2,0,0,0,0,0|1,1,0]=4 244 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,0]=3 245 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|0,0,0]=2 246 B5R0.1 O=C(O)CNO Z1205493750 [2,0,0,0,0,0|1,0,0]=3 247 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.3 C#CC(N)CO Z2235790715 [2,0,0,0,0,0|1,0,1]=4 249 B5R0.3 C=CC(N)CO Z2146514374 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.3 CC(CO)CS Z1262475362 [2,0,0,0,0,0|1,0,1]=4 251 B5R0.3 CCC(N)CO Z104474862 [2,0,0,0,0,0|1,0,1]=4 252 B5R0.3 CC[C@@H](N)CO Z1203162359 [2,0,0,0,0,0|1,0,1]=4 253 B5R0.3 CC[C@H](N)CO Z1203162358 [2,0,0,0,0,0|1,0,1]=4 254 B5R0.3 N#CC(N)CO Z2301438409 [2,0,0,0,0,0|1,0,1]=4 255 B5R0.3 NC(CO)CO Z1203577940 [2,0,0,0,0,0|0,0,1]=3 256 B5R0.3 OCC(O)CO Z104473548 [2,0,0,0,0,0|1,0,1]=4 257 B5R0.3 OCC(O)CS Z1255382958 [2,0,0,0,0,0|1,0,1]=4 258 B5R0.5 CC(=O)C(=O)O Z104495240 [2,0,0,0,0,0|1,0,1]=4 259 B5R0.5 CC(=O)C(C)N Z1263529525 [2,0,0,0,0,0|1,0,0]=3 260 B5R0.5 CC(Br)C(=O)O Z57127555 [2,0,0,0,0,0|1,0,0]=3 261 B5R0.5 CC(C)C(=O)N Z57046209 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.5 CC(C)C(=O)O Z104473380 [2,0,0,0,0,0|1,0,0]=3 263 B5R0.5 CC(Cl)C(=O)N Z56924427 [2,0,0,0,0,0|2,0,0]=4 264 B5R0.5 CC(Cl)C(=O)O Z147646840 [2,0,0,0,0,0|1,0,0]=3 265 B5R0.5 CC(N)C(=O)N Z54749436 [2,0,0,0,0,0|1,0,0]=3 266 B5R0.5 CC(N)C(=O)O Z57396987 [2,0,0,0,0,0|0,0,0]=2 267 B5R0.5 CC(O)C(=O)N Z57206008 [2,0,0,0,0,0|2,0,0]=4 268 B5R0.5 CC(S)C(=O)O Z104477082 [2,0,0,0,0,0|1,0,0]=3 269 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [2,0,0,0,0,0|0,0,0]=2 270 B5R0.5 C[C@H](N)C(=O)N Z359371050 [2,0,0,0,0,0|1,0,0]=3 271 B5R0.5 C[C@H](N)C(=O)O Z756424912 [2,0,0,0,0,0|0,0,0]=2 272 B5R0.5 O=C(O)C(=O)O Z1741978903 [2,0,0,0,0,0|1,0,1]=4 273 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [2,0,0,0,0,0|2,0,0]=4 274 B5R0.5 O=C(O)C(F)F Z104474070 [2,0,0,0,0,0|2,0,0]=4 275 B7R0.7 COCC(N)CCO Z1238548168 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [1,1,0,0,0,0|1,0,0]=3 281 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [1,1,0,0,0,0|1,0,0]=3 282 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [1,1,0,0,0,0|0,0,0]=2 283 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [1,1,0,0,0,0|1,0,0]=3 284 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [1,1,0,0,0,0|2,0,0]=4 285 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [1,1,0,0,0,0|2,0,0]=4 286 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [1,1,0,0,0,0|2,0,0]=4 287 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [1,1,0,0,0,0|1,0,0]=3 288 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [1,1,0,0,0,0|2,0,0]=4 290 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,1,0,0,0,0|1,0,0]=3 293 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,1,0,0,0,0|2,0,0]=4 295 B7R0.15 CNC(CN)C(=O)O Z1982493964 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.15 COC(CN)C(=O)O Z1603778808 [1,1,0,0,0,0|1,1,0]=4 297 B7R0.15 NCC(CN)C(=O)O Z5183354524 [1,1,0,0,0,0|1,0,0]=3 298 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,1,0,0,0,0|2,0,0]=4 301 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,1,0,0,0,0|2,0,0]=4 302 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,1,0,0,0,0|2,0,0]=4 303 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,1,0,0,0,0|1,0,0]=3 304 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,1,0,0,0,0|2,0,0]=4 305 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,1,0,0,0,0|2,0,0]=4 306 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,1,0,0,0,0|1,0,0]=3 307 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,1,0,0,0,0|1,0,0]=3 308 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,1,0,0,0,0|2,0,0]=4 309 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,1,0,0,0,0|1,0,0]=3 310 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,1,0,0,0,0|0,0,0]=2 311 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,1,0,0,0,0|0,0,0]=2 312 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,1,0,0,0,0|0,0,0]=2 313 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [1,1,0,0,0,0|1,0,1]=4 314 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,1,0,0,0,0|2,0,0]=4 315 B7R0.4 C#CCOCC(=O)O Z362807246 [1,1,0,0,0,0|2,0,0]=4 316 B7R0.4 C#CCSCC(=O)O Z149151642 [1,1,0,0,0,0|2,0,0]=4 317 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.4 C=CCNCC(=O)O Z803145546 [1,1,0,0,0,0|2,0,0]=4 319 B7R0.4 C=CCOCC(=O)O Z362807794 [1,1,0,0,0,0|2,0,0]=4 320 B7R0.4 C=CCSCC(=O)O Z149151274 [1,1,0,0,0,0|2,0,0]=4 321 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,1,0,0,0,0|2,0,0]=4 322 B7R0.4 CC(=O)NCCCO Z353570744 [1,1,0,0,0,0|2,0,0]=4 323 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|2,0,0]=4 324 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|2,0,0]=4 325 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|2,0,0]=4 326 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|2,0,0]=4 327 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|2,0,0]=4 328 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|1,1,0]=4 329 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|1,0,0]=3 330 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|2,0,0]=4 331 B7R0.4 COCCCC(=O)C Z406376722 [1,1,0,0,0,0|2,0,0]=4 332 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|1,0,0]=3 333 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|1,0,0]=3 334 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,1,0,0,0,0|2,0,0]=4 335 B7R0.4 N#CCSCC(=O)O Z19691779 [1,1,0,0,0,0|2,0,0]=4 336 B7R0.4 NC(=O)COCCO Z1198148880 [1,1,0,0,0,0|2,0,0]=4 337 B7R0.4 NC(=O)NCCCO Z198194722 [1,1,0,0,0,0|2,0,0]=4 338 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|2,0,0]=4 339 B7R0.4 NCCNCC(=O)O Z2692249907 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.4 NCCOCC(=O)O Z1650039500 [1,1,0,0,0,0|2,0,0]=4 341 B7R0.4 NCCSCC(=O)O Z1381287295 [1,1,0,0,0,0|2,0,0]=4 342 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|2,0,0]=4 343 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|1,1,0]=4 344 B7R0.4 O=C(O)CNCCO Z425411352 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.4 O=C([O-])COCCO Z1744715804 [1,1,0,0,0,0|1,0,1]=4 347 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,1,0,0,0,0|2,0,0]=4 349 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,1,0,0,0,0|2,0,0]=4 350 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,1,0,0,0,0|1,0,0]=3 351 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,1,0,0,0,0|2,0,0]=4 352 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,1,0,0,0,0|0,0,2]=4 353 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,1,0,0,0,0|1,0,0]=3 354 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [0,1,0,0,0,1|2,0,0]=4 355 B9R0.34 C#CCC(N)CC(=O)OC Z3825461044 [0,1,0,0,0,1|2,0,0]=4 356 B9R0.34 CCCC(N)CC(=O)OC Z1582263053 [0,1,0,0,0,1|2,0,0]=4 357 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,1,0,0,0,1|2,0,0]=4 358 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,1,0,0,0,1|2,0,0]=4 359 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,1,0,0,0,1|2,0,0]=4 360 B9R0.58 COCC(C)(N)CC(=O)O Z3379727619 [0,1,0,0,0,1|1,1,0]=4 361 B9R0.27 C=CC(C)C(N)C(=O)OC Z1592025232 [0,2,0,0,0,0|2,0,0]=4 362 B9R0.27 CCC(C)C(N)C(=O)OC Z90123616 [0,2,0,0,0,0|2,0,0]=4 363 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,2,0,0,0,0|2,0,0]=4 366 B9R0.41 CCC(CC)C(N)C(=O)O Z1269638502 [0,2,0,0,0,0|2,0,0]=4 367 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,2,0,0,0,0|2,0,0]=4 368 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,2,0,0,0,0|2,0,0]=4 369 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,2,0,0,0,0|2,0,0]=4 370 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,2,0,0,0,0|2,0,0]=4 371 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,2,0,0,0,0|2,0,0]=4 372 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,2,0,0,0,0|2,0,0]=4 373 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,2,0,0,0,0|2,0,0]=4 374 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,2,0,0,0,0|2,0,0]=4 375 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [0,2,0,0,0,0|1,0,0]=3 376 B9R0.60 CCCC(C)(N)C(=O)OC Z324254272 [0,2,0,0,0,0|2,0,0]=4 377 B9R0.60 COCC(C)(N)C(=O)OC Z898422656 [0,2,0,0,0,0|1,1,0]=4 378 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,2,0,0,0,0|1,0,1]=4 380 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,2,0,0,0,0|2,0,0]=4 381 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,2,0,0,0,0|0,0,2]=4 382 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,2,0,0,0,0|1,0,1]=4 383 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,2,0,0,0,0|1,0,1]=4 384 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,2,0,0,0,0|1,0,1]=4 385 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,2,0,0,0,0|1,0,0]=3 386 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,2,0,0,0,0|1,0,0]=3 387 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,2,0,0,0,0|1,0,0]=3 388 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [0,2,0,0,0,0|2,0,0]=4 389 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [0,2,0,0,0,0|2,0,0]=4 390 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,2,0,0,0,0|1,0,1]=4 391 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,2,0,0,0,0|1,0,0]=3 393 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,2,0,0,0,0|2,0,0]=4 394 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,2,0,0,0,0|2,0,0]=4 396 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,2,0,0,0,0|2,0,0]=4 397 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,2,0,0,0,0|1,0,0]=3 398 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,2,0,0,0,0|1,0,0]=3 399 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,2,0,0,0,0|2,0,0]=4 400 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,2,0,0,0,0|1,0,0]=3 401 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [0,2,0,0,0,0|2,0,0]=4 402 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,2,0,0,0,0|2,0,0]=4 403 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,2,0,0,0,0|2,0,0]=4 404 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [0,2,0,0,0,0|2,0,0]=4 405 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,2,0,0,0,0|2,0,0]=4 406 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,2,0,0,0,0|2,0,0]=4 407 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [0,2,0,0,0,0|1,1,0]=4 408 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [0,2,0,0,0,0|1,1,0]=4 409 B9R0.74 COCC(C)(CN)C(=O)O Z5935120070 [0,2,0,0,0,0|1,1,0]=4 410 B9R0.15 NCCC(CCN)C(=O)O Z1415893857 [0,2,0,0,0,0|2,0,0]=4 411 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [0,2,0,0,0,0|2,0,0]=4 412 B9R0.33 CN(C)C(CCO)C(=O)O Z5134019755 [0,2,0,0,0,0|1,0,0]=3 413 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [0,2,0,0,0,0|1,1,0]=4 414 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,2,0,0,0,0|2,0,0]=4 415 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,2,0,0,0,0|2,0,0]=4 416 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,2,0,0,0,0|1,0,0]=3 417 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,2,0,0,0,0|2,0,0]=4 418 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,2,0,0,0,0|2,0,0]=4 419 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,2,0,0,0,0|2,0,0]=4 420 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [0,2,0,0,0,0|2,0,0]=4 421 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,2,0,0,0,0|0,0,1]=3 422 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,2,0,0,0,0|1,0,1]=4 423 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,1,0,0|2,0,0]=4 424 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,1,0,0|1,0,0]=3 426 B7R1.4 NC1CCSC1=O Z56922158 [1,0,0,1,0,0|1,1,0]=4 427 B7R1.4 NC1CONC1=O Z336087816 [1,0,0,1,0,0|1,1,0]=4 428 B7R1.4 NN1CCOC1=O Z1198147716 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [1,0,0,1,0,0|1,1,0]=4 430 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [1,0,0,1,0,0|1,1,0]=4 431 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [1,0,0,1,0,0|1,1,0]=4 433 B7R1.4 N[C@H]1CONC1=O Z1201618622 [1,0,0,1,0,0|1,1,0]=4 434 B7R1.25 CC1(CSC1)C=O Z2732442937 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,1,0,0|1,0,0]=3 439 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [1,0,0,1,0,0|2,0,0]=4 442 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [1,0,0,1,0,0|2,0,0]=4 443 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [1,0,0,1,0,0|2,0,0]=4 444 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.19 NC1(CC1)C(=O)O Z235362779 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.19 O=C(O)C1(CC1)O Z216340524 [1,0,0,1,0,0|2,0,0]=4 447 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|2,0,0]=4 448 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,0,1,0,1|2,0,0]=4 449 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,0,0,1,0,1|2,0,0]=4 450 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,0,0,1,0,1|2,0,0]=4 451 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [0,0,0,1,0,1|2,0,0]=4 452 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,0,0,1,0,1|2,0,0]=4 453 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,0,0,1,0,1|2,0,0]=4 454 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,0,0,1,0,1|1,0,0]=3 455 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,0,0,1,0,1|2,0,0]=4 456 B9R1.137 NC(CC(=O)O)C1CC1 Z975824848 [0,0,0,1,0,1|2,0,0]=4 457 B9R1.171 NC1(CCC1)CC(=O)O Z1318147475 [0,0,0,1,0,1|2,0,0]=4 458 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.111 CC1(CC1)C(N)C(=O)O Z2940229290 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.132 N[C@H]1C(=O)OC[C@H]1CO Z4342606943 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.188 COC(=O)[C@]1(C[C@H]1C)N Z4178104558 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.11 CNC(=O)C1CSCN1 Z1449756217 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.11 COC(=O)C1CCOC1 Z802555348 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Z1198222336 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,1,0,1,0,0|2,0,0]=4 472 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,1,0,1,0,0|2,0,0]=4 473 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,1,0,1,0,0|1,1,0]=4 480 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,1,0,1,0,0|1,0,1]=4 492 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,1,0,1,0,0|1,0,1]=4 495 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,1,0,1,0,0|1,0,1]=4 496 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,1,0,1,0,0|1,0,1]=4 498 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,1,0,1,0,0|0,1,1]=4 499 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,1,0,1,0,0|0,0,1]=3 500 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,1,0,1,0,0|0,0,1]=3 502 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,1,0,1,0,0|2,0,0]=4 506 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,1,0,0|1,0,0]=3 509 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,1,0,1,0,0|1,0,1]=4 515 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.165 CC(N)(C(=O)O)C1CC1 Z1250132714 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,1,0,1,0,0|2,0,0]=4