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[1,0,0,0,0,0|1,0,1]=3 16 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.8 CCCCC(N)C(C)O Z2453175125 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.8 CCOCC(C)C(=O)O Z431541098 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,0,0,0,0,0|1,1,0]=3 28 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,0,0,0,0,0|0,1,0]=2 29 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,0,0,0,0,0|0,0,1]=2 30 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,0,0,0,0,0|1,0,1]=3 31 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,0,0,0,0,0|0,0,1]=2 32 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,0,0,0,0,0|0,0,1]=2 33 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,0,0,0,0,0|1,1,0]=3 38 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.9 CC(C)CCC(N)CO Z1198179431 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,0|1,0,0]=2 42 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.28 CC(C)CSCC(=O)O Z96112845 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,0|2,0,0]=3 51 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,0|2,0,0]=3 58 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,0|3,0,0]=4 61 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,1,0,0,0,0|2,0,0]=3 62 B10R0.43 CC(=O)CCC(F)(F)C(=O)[O-] Z3824931634 [0,1,0,0,0,0|2,0,1]=4 63 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,0|3,0,0]=4 64 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [0,1,0,0,0,0|2,0,0]=3 65 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [0,1,0,0,0,0|2,0,0]=3 66 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,1,0,0,0,0|2,0,1]=4 67 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,0|1,0,0]=2 68 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,0|1,0,0]=2 69 B10R0.92 CC(C)(C)CCC(N)C(=O)N Z1889917254 [0,1,0,0,0,0|3,0,0]=4 70 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,1,0,0,0,0|2,0,0]=3 71 B10R0.92 CC(CCC(C)(C)C)C(=O)O Z819995662 [0,1,0,0,0,0|3,0,0]=4 72 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,0|1,0,0]=2 73 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N Z425449706 [0,1,0,0,0,0|1,0,1]=3 74 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,0,0|0,0,1]=2 75 B10R0.92 NC(CCC(F)(F)F)C(=O)O Z1954804076 [0,1,0,0,0,0|3,0,0]=4 76 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,1,0,0,0,0|2,0,1]=4 77 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,0,0,1,0,0|3,0,0]=4 79 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,0,0,1,0,0|3,0,0]=4 81 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,0,0,1,0,0|2,0,0]=3 82 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,0,0,1,0,0|3,0,0]=4 83 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,0,0,1,0,0|3,0,0]=4 84 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,0,0,1,0,0|3,0,0]=4 89 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,0,0,1,0,0|2,0,1]=4 90 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,1,0,0|1,0,1]=3 91 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,0,0,1,0,0|2,0,0]=3 92 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,1,0,0|2,0,0]=3 93 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,1,0,0|3,0,0]=4 94 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,1,0,0|2,0,0]=3 95 B10R1.349 CN(C)[C@H]1C[C@@H](C1)C(=O)O Z2310671389 [0,0,0,1,0,0|3,0,0]=4 96 B10R1.349 CN(C)[C@H]1C[C@H](C1)C(=O)O Z2310722627 [0,0,0,1,0,0|3,0,0]=4 97 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,0,0,1,0,0|3,0,0]=4 98 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,1,0,0|2,0,0]=3 99 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,0,0,1,0,0|2,0,1]=4 101 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,0,0,1,0,0|2,0,0]=3 102 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,0,0,1,0,0|2,0,0]=3 103 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Z2235790964 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.368 CN(C)C[C@@H]1C[C@@H]1C(=O)O Z3681224464 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,0,0,1,0,0|3,0,0]=4 106 B10R1.470 CC1(CNC(=O)C1)C(=O)O Z1642347436 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,0,0,1,0,0|2,0,0]=3 108 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,0,0,1,0,0|3,0,0]=4 109 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,0,0,1,0,0|3,0,0]=4 110 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,0,0,1,0,0|1,0,1]=3 111 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,0,0,1,0|2,0,0]=3 112 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,0,0,0,1,0|2,0,1]=4 113 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,0,0,0,1,0|3,0,0]=4 114 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,0,0,0,1,0|3,0,0]=4 115 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,0,0,0,1,0|3,0,0]=4 116 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,0,0,0,1,0|3,0,0]=4 117 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,0,0,0,1,0|2,0,0]=3 118 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,0,0,0,1,0|2,0,0]=3 119 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,0,0,0,1,0|2,0,0]=3 120 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,0,0,1,0|3,0,0]=4 121 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,0,0,0,1,0|3,0,0]=4 122 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,0,0,0,1,0|1,0,0]=2 123 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,0,0,0,1,0|3,0,0]=4 124 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,0,0,0,1,0|3,0,0]=4 125 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,1,0|2,0,0]=3 126 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,1,0|2,0,0]=3 127 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,1,0|2,0,0]=3 128 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,1,0|3,0,0]=4 129 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,1,0|2,0,0]=3 130 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,0,0,0,1,0|3,0,0]=4 131 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,1,0|2,0,0]=3 132 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,1,0|2,0,0]=3 133 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,1,0|3,0,0]=4 134 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,1,0|3,0,0]=4 135 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,1,0|3,0,0]=4 136 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,1,0|3,0,0]=4 137 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,1|3,0,0]=4 138 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,0,0,0,0,1|2,0,0]=3 139 B10R0.98 CC(C)CCOC(C)C(=O)O Z316259086 [0,0,0,0,0,1|3,0,0]=4 140 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,0,0,0,0,1|3,0,0]=4 141 B10R0.98 CC(OCCN(C)C)C(=O)O Z3400079248 [0,0,0,0,0,1|3,0,0]=4 142 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,0,1|2,0,0]=3 143 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,0,1|2,0,0]=3 144 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.4 CC#CCCC(=O)O Z1205493674 [2,0,0,0,0,0|1,0,1]=4 146 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,0]=3 147 B7R0.4 CCCNCC(=O)O Z744582718 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.4 CCCOCC(=O)O Z406677750 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.4 CCCSCC(=O)O Z228425458 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.4 CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.4 CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|1,0,0]=3 154 B7R0.4 COCCCC(=O)C Z406376722 [2,0,0,0,0,0|1,1,0]=4 155 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|0,1,0]=3 156 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|0,0,1]=3 157 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|2,0,0]=4 159 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|1,1,0]=4 161 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|0,0,2]=4 162 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|0,0,2]=4 163 B7R0.5 CC(CCN)C(=O)O Z2298167292 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|1,0,0]=3 165 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|0,0,0]=2 166 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|0,0,0]=2 167 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|0,0,0]=2 168 B7R0.5 CCNC(C)C(=O)O Z3181996310 [2,0,0,0,0,0|2,0,0]=4 169 B7R0.5 CCOC(C)C(=O)O Z316258934 [2,0,0,0,0,0|2,0,0]=4 170 B7R0.5 CNCC(C)C(=O)O Z1270387301 [2,0,0,0,0,0|2,0,0]=4 171 B7R0.5 COCC(C)C(=O)O Z431541094 [2,0,0,0,0,0|1,1,0]=4 172 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|0,1,0]=3 173 B7R0.5 CSCC(C)C(=O)O Z732206684 [2,0,0,0,0,0|1,0,1]=4 174 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|0,0,1]=3 175 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|1,0,0]=3 176 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|0,0,1]=3 177 B7R0.5 NCCC(F)C(=O)O Z3235903750 [2,0,0,0,0,0|2,0,0]=4 178 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|1,0,0]=3 179 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [2,0,0,0,0,0|2,0,0]=4 180 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|0,0,1]=3 181 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|0,0,1]=3 182 B7R0.6 CC(N)CCS(=O)C Z1269750451 [2,0,0,0,0,0|0,0,1]=3 183 B7R0.6 CS(=O)CCC(=O)O Z667974346 [2,0,0,0,0,0|1,0,1]=4 184 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [1,1,0,0,0,0|1,0,0]=3 185 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [1,1,0,0,0,0|1,1,0]=4 186 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [1,1,0,0,0,0|1,0,0]=3 187 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [1,1,0,0,0,0|1,0,0]=3 188 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [1,1,0,0,0,0|0,1,0]=3 189 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [1,1,0,0,0,0|1,1,0]=4 190 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [1,1,0,0,0,0|2,0,0]=4 191 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [1,1,0,0,0,0|1,0,1]=4 192 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [1,1,0,0,0,0|1,0,0]=3 194 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,1,0,0,0,0|0,1,1]=4 195 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [1,1,0,0,0,0|1,0,1]=4 197 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [1,1,0,0,0,0|2,0,0]=4 198 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [1,1,0,0,0,0|2,0,0]=4 199 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [1,1,0,0,0,0|2,0,0]=4 200 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [1,1,0,0,0,0|1,0,0]=3 201 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [1,1,0,0,0,0|0,1,0]=3 202 B9R0.47 COCCOC(C)C(=O)O Z316259198 [1,1,0,0,0,0|1,1,0]=4 203 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [1,1,0,0,0,0|0,0,1]=3 204 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [1,1,0,0,0,0|1,0,1]=4 205 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [1,1,0,0,0,0|1,0,0]=3 206 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [1,1,0,0,0,0|1,0,0]=3 207 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [1,1,0,0,0,0|2,0,0]=4 208 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [1,1,0,0,0,0|1,1,0]=4 209 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [1,1,0,0,0,0|2,0,0]=4 210 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [1,1,0,0,0,0|1,0,0]=3 211 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [1,1,0,0,0,0|1,0,1]=4 212 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|1,0,0]=3 213 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [1,1,0,0,0,0|0,0,0]=2 214 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [1,1,0,0,0,0|2,0,0]=4 215 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [1,1,0,0,0,0|2,0,0]=4 216 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [1,1,0,0,0,0|2,0,0]=4 217 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [1,1,0,0,0,0|2,0,0]=4 218 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [1,1,0,0,0,0|2,0,0]=4 219 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,1,0,0,0,0|2,0,0]=4 220 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [1,1,0,0,0,0|2,0,0]=4 221 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,1,0,0,0,0|2,0,0]=4 222 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [1,1,0,0,0,0|2,0,0]=4 223 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [1,1,0,0,0,0|0,0,1]=3 224 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [1,1,0,0,0,0|1,0,1]=4 225 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [1,1,0,0,0,0|1,0,1]=4 226 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [1,1,0,0,0,0|2,0,0]=4 227 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,0,0,1,0|2,0,0]=4 228 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,1,0,0,1,0|2,0,0]=4 229 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,1,0,0,1,0|2,0,0]=4 230 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,1,0|2,0,0]=4 231 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,1,0|2,0,0]=4 232 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,1,0,0,1,0|2,0,0]=4 233 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,1,0,0,1,0|1,0,1]=4 234 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,1,0,0,1,0|2,0,0]=4 235 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,1,0|1,0,1]=4 236 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,1,0,0,1,0|2,0,0]=4 237 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,1,0,0,0,1|2,0,0]=4 238 B11R0.202 CN(C)CCCC(C)(N)C(=O)O Z2418411247 [0,1,0,0,0,1|2,0,0]=4 239 B11R0.308 CC(C)(C)CC(O)C(N)C(=O)O Z2211231805 [0,2,0,0,0,0|2,0,0]=4 240 B11R0.201 COC(=O)CCC(C)(C)C(=O)O Z1262512264 [0,2,0,0,0,0|2,0,0]=4 241 B11R0.429 CC(C)(C)CCC(C)(N)C(=O)O Z2028214444 [0,2,0,0,0,0|2,0,0]=4 242 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Z1809258545 [0,2,0,0,0,0|1,0,0]=3 243 B11R0.290 COC(=O)C(N)CCC(C)(F)F Z5183298762 [0,2,0,0,0,0|2,0,0]=4 244 B11R0.290 COC(=O)C(N)CCS(=O)(=O)N Z2941405023 [0,2,0,0,0,0|1,0,1]=4 245 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Z1741979091 [0,2,0,0,0,0|1,0,0]=3 246 B11R0.313 COC(CCS(=O)(=O)C)C(=O)O Z3378119883 [0,2,0,0,0,0|1,0,1]=4 247 B9R1.5 NC1CCCCCC1=O Z2213893401 [1,0,0,1,0,0|2,0,0]=4 248 B9R1.5 NC1CCCCNC1=O Z281895050 [1,0,0,1,0,0|2,0,0]=4 249 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [1,0,0,1,0,0|2,0,0]=4 253 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [1,0,0,1,0,0|1,0,1]=4 254 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,0,0,1,0,0|2,0,0]=4 255 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|1,0,0]=3 256 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [1,0,0,1,0,0|1,1,0]=4 259 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [1,0,0,1,0,0|1,0,1]=4 260 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [1,0,0,1,0,0|0,0,1]=3 261 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [1,0,0,1,0,0|2,0,0]=4 262 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [1,0,0,1,0,0|2,0,0]=4 263 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|1,0,0]=3 264 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [1,0,0,1,0,0|2,0,0]=4 266 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [1,0,0,1,0,0|2,0,0]=4 267 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|1,0,0]=3 268 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,0,0,1,0,0|2,0,0]=4 269 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|2,0,0]=4 270 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|1,0,0]=3 271 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|2,0,0]=4 272 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,1,0,0|2,0,0]=4 273 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|1,0,0]=3 274 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|1,0,0]=3 275 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,1,0,0|2,0,0]=4 276 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [1,0,0,1,0,0|2,0,0]=4 277 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,1,0,0|2,0,0]=4 278 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [1,0,0,1,0,0|2,0,0]=4 279 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [1,0,0,1,0,0|2,0,0]=4 280 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [1,0,0,1,0,0|2,0,0]=4 281 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [1,0,0,1,0,0|2,0,0]=4 282 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [1,0,0,1,0,0|2,0,0]=4 283 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [1,0,0,1,0,0|2,0,0]=4 284 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [1,0,0,1,0,0|1,0,0]=3 285 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [1,0,0,1,0,0|2,0,0]=4 286 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [1,0,0,1,0,0|1,0,0]=3 287 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [1,0,0,1,0,0|2,0,0]=4 288 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [1,0,0,1,0,0|2,0,0]=4 289 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [1,0,0,1,0,0|2,0,0]=4 290 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [1,0,0,1,0,0|2,0,0]=4 291 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [1,0,0,1,0,0|1,1,0]=4 292 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [1,0,0,1,0,0|2,0,0]=4 293 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [1,0,0,1,0,0|1,0,1]=4 294 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [1,0,0,1,0,0|1,0,0]=3 295 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [1,0,0,1,0,0|0,1,0]=3 296 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [1,0,0,1,0,0|0,0,1]=3 297 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [1,0,0,1,0,0|2,0,0]=4 298 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [1,0,0,1,0,0|1,1,0]=4 299 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [1,0,0,1,0,0|1,1,0]=4 300 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [1,0,0,1,0,0|2,0,0]=4 302 B9R1.53 CN1CC(C1)CC(=O)O Z2239020739 [1,0,0,1,0,0|2,0,0]=4 303 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [1,0,0,1,0,0|2,0,0]=4 304 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [1,0,0,1,0,0|2,0,0]=4 305 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [1,0,0,1,0,0|2,0,0]=4 306 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|2,0,0]=4 307 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|2,0,0]=4 308 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [1,0,0,1,0,0|2,0,0]=4 309 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|2,0,0]=4 310 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [1,0,0,1,0,0|2,0,0]=4 311 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,0,0,1,1,0|2,0,0]=4 312 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,0,0,1,1,0|2,0,0]=4 313 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,0,0,1,1,0|1,0,0]=3 314 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,0,0,1,1,0|2,0,0]=4 315 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,0,0,1,1,0|1,0,1]=4 316 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,0,0,1,1,0|2,0,0]=4 317 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,0,0,1,0,1|2,0,0]=4 318 B11R1.20 O=C(O)CN1CCS(=O)CC1 Z1459993590 [0,0,0,1,0,1|2,0,0]=4 319 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,0,0,1,0,1|2,0,0]=4 320 B11R1.565 O=C1CCC(CCO1)C(=O)O Z1216841619 [0,0,0,1,0,1|2,0,0]=4 321 B11R1.667 CC1CC(CCO1)(N)C(=O)O Z3006084661 [0,0,0,1,0,1|2,0,0]=4 322 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,0,0,1,0,1|2,0,0]=4 323 B11R1.730 CC1(COCC(N1)C(=O)O)C Z1739253890 [0,0,0,1,0,1|2,0,0]=4 324 B11R1.1386 CC1(CCCC1(N)C(=O)O)C Z1198173988 [0,0,0,1,0,1|2,0,0]=4 325 B11R1.707 CS(=O)(=O)[C@H]1C[C@H](C1)C(=O)O Z2944218661 [0,1,0,1,0,0|1,0,1]=4 326 B11R1.166 CC1CC(=O)CCC1C(=O)O Z1262519171 [0,1,0,1,0,0|2,0,0]=4 327 B11R1.166 CC1CNC(C(C1)C)C(=O)O Z3251990496 [0,1,0,1,0,0|2,0,0]=4 328 B11R1.166 CN1CC(CCC1C(=O)O)N Z4383496345 [0,1,0,1,0,0|2,0,0]=4 329 B11R1.1106 NC(C(=O)O)C1CC(C1)(F)F Z3153436580 [0,1,0,1,0,0|2,0,0]=4 330 B11R1.220 CC1(CCC(=O)CC1)C(=O)O Z1255438161 [0,1,0,1,0,0|2,0,0]=4 331 B11R1.220 CC1(CCC(=O)NC1)C(=O)O Z1813108106 [0,1,0,1,0,0|2,0,0]=4 332 B11R1.220 CC1CCC(CC1)(N)C(=O)O Z317024836 [0,1,0,1,0,0|2,0,0]=4 333 B11R1.220 NC1CCC(CC1)(N)C(=O)O Z1483956645 [0,1,0,1,0,0|2,0,0]=4 334 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O Z1270392248 [0,1,0,1,0,0|2,0,0]=4 335 B11R1.22 COC(=O)C1CCC(CN1)F Z4186160352 [0,1,0,1,0,0|2,0,0]=4 336 B11R1.22 COC(=O)C1CCC(CN1)O Z2867491134 [0,1,0,1,0,0|1,0,1]=4 337 B11R1.22 COC(=O)[C@@H]1CC[C@H](CN1)F Z4438428643 [0,1,0,1,0,0|2,0,0]=4 338 B11R1.881 COC(=O)C1(CCC1(C)C)N Z5861986038 [0,1,0,1,0,0|2,0,0]=4 339 B11R1.885 COC(=O)C1(CCC(C1)C)N Z3039443437 [0,1,0,1,0,0|2,0,0]=4 340 B11R1.3 CCC1CCC(NC1)C(=O)O Z4108992291 [0,1,0,1,0,0|2,0,0]=4 341 B11R1.3 O=CC1=CNC(CC1)C(=O)O Z3446087356 [0,1,0,1,0,0|1,0,1]=4 342 B11R1.515 CN1C(CCS1(=O)=O)C(=O)O Z1504680896 [0,1,0,1,0,0|1,0,1]=4 343 B11R1.727 CC1(CCC(CN1)C(=O)O)C Z4986317694 [0,1,0,1,0,0|2,0,0]=4 344 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 Z826527398 [0,1,0,1,0,0|1,0,1]=4 345 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Z3353488989 [0,1,0,1,0,0|0,0,1]=3 346 B11R1.1337 CC1(C(CC1(N)C(=O)O)O)C Z4327136860 [0,1,0,1,0,0|2,0,0]=4 347 B11R1.1337 CC1([C@H](C[C@]1(N)C(=O)O)O)C Z4358782518 [0,1,0,1,0,0|2,0,0]=4 348 B11R2.820 NC1(CC2CC1C2)C(=O)O Z4896413827 [0,0,0,2,0,0|2,0,0]=4 349 B11R2.849 NC1(CCC2C1C2)C(=O)O Z3282783244 [0,0,0,2,0,0|2,0,0]=4 350 B11R2.1868 O=C(O)C1CCC2(N1)CC2 Z4655556783 [0,0,0,2,0,0|2,0,0]=4 351 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,0,0,0,2,0|2,0,0]=4 352 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,0,0,0,2,0|2,0,0]=4 353 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,0,0,0,2,0|2,0,0]=4 354 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,0,0,0,2,0|2,0,0]=4 355 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,0,0,0,2,0|1,0,1]=4 356 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,0,0,0,2,0|1,0,1]=4 357 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,0,0,0,2,0|1,0,1]=4 358 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [1,0,0,0,0,1|2,0,0]=4 359 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [1,0,0,0,0,1|2,0,0]=4 360 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [1,0,0,0,0,1|2,0,0]=4 361 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [1,0,0,0,0,1|2,0,0]=4 362 B9R0.55 CC(C)COCCC(=O)O Z316259216 [1,0,0,0,0,1|2,0,0]=4 363 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [1,0,0,0,0,1|2,0,0]=4 364 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [1,0,0,0,0,1|2,0,0]=4 365 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [1,0,0,0,0,1|2,0,0]=4 366 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [1,0,0,0,0,1|2,0,0]=4 367 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [1,0,0,0,0,1|2,0,0]=4 368 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,0,0,0,0,1|2,0,0]=4 369 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [1,0,0,0,0,1|2,0,0]=4 370 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,0,0,0,0,1|2,0,0]=4 371 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,0,0,0,0,1|2,0,0]=4 372 B11R0.29 CC(=CCSCC(N)C(=O)O)C Z317025846 [0,0,0,0,0,2|2,0,0]=4 373 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C Z760035506 [0,0,0,0,0,2|2,0,0]=4 374 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,0,0,0,0,2|1,0,0]=3 375 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Z1255438848 [0,0,0,0,0,2|2,0,0]=4 376 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,0,0,0,0,2|2,0,0]=4