0 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.8 CCOCC(C)C(=O)O Z431541098 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,0,0,0,0,0|0,0,1]=2 23 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,0|0,0,0]=1 39 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,0,0,0,0,0|1,0,1]=3 42 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,0|3,0,0]=4 51 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,0|3,0,0]=4 52 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,1,0,0,0,0|2,0,0]=3 53 B10R0.43 CC(=O)CCC(F)(F)C(=O)[O-] Z3824931634 [0,1,0,0,0,0|2,0,1]=4 54 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,0|3,0,0]=4 55 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [0,1,0,0,0,0|2,0,1]=4 56 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [0,1,0,0,0,0|2,0,0]=3 57 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,1,0,0,0,0|2,0,1]=4 58 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,0|1,0,0]=2 59 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,0|1,0,0]=2 60 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,0|2,0,0]=3 62 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N Z425449706 [0,1,0,0,0,0|3,0,0]=4 63 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,0,0|2,0,0]=3 64 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,1,0,0,0,0|2,0,0]=3 65 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,0,0,1,0,0|3,0,0]=4 67 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,0,0,1,0,0|3,0,0]=4 68 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,0,0,1,0,0|2,0,1]=4 69 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,0,0,1,0,0|1,0,1]=3 71 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,0,0,1,0,0|1,0,1]=3 72 B10R1.13 NC(=O)C1CCC(=O)NC1 Z458890528 [0,0,0,1,0,0|3,0,0]=4 73 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,0,0,1,0,0|2,0,0]=3 74 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,0,0,1,0,0|3,0,0]=4 75 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,1,0,0|1,0,2]=4 76 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,0,0,1,0,0|2,0,1]=4 77 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,1,0,0|2,0,0]=3 78 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,1,0,0|2,0,0]=3 79 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,1,0,0|1,0,0]=2 80 B10R1.349 NC(=O)N1CC(C1)C(=O)O Z1217191917 [0,0,0,1,0,0|3,0,0]=4 81 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,1,0,0|2,0,1]=4 82 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,0,0,1,0,0|1,1,1]=4 83 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,0,0,1,0,0|2,0,1]=4 84 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,0,0,1,0,0|2,0,1]=4 85 B10R1.470 CC1(CNC(=O)C1)C(=O)O Z1642347436 [0,0,0,1,0,0|2,0,0]=3 86 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,0,0,1,0,0|2,0,1]=4 87 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,0,0,1,0,0|1,0,2]=4 89 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,0,0,1,0|1,0,0]=2 90 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,0,0,0,1,0|2,0,1]=4 91 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,0,0,0,1,0|1,0,1]=3 92 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,0,0,0,1,0|2,0,0]=3 93 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,0,0,0,1,0|2,0,0]=3 94 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,0,0,0,1,0|2,0,0]=3 95 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,0,0,0,1,0|2,0,1]=4 96 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,0,0,0,1,0|1,0,1]=3 97 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,0,0,0,1,0|1,0,1]=3 98 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,0,0,0,1,0|1,0,1]=3 99 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,0,0,1,0|2,0,0]=3 100 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,0,0,0,1,0|3,0,0]=4 101 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,0,0,0,1,0|3,0,0]=4 102 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,0,0,0,1,0|2,0,0]=3 103 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,0,0,0,1,0|2,0,1]=4 104 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,0,0,0,1,0|3,0,0]=4 105 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,0,0,0,1,0|3,0,0]=4 106 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,1,0|1,0,0]=2 107 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,1,0|1,0,0]=2 108 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,1,0|1,0,0]=2 109 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,1,0|2,0,0]=3 110 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,1,0|1,0,0]=2 111 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,0,0,0,1,0|2,0,1]=4 112 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,1,0|1,0,0]=2 113 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,1,0|1,0,0]=2 114 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,1,0|2,0,1]=4 115 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,1,0|2,0,0]=3 116 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,1,0|2,0,0]=3 117 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,1,0|2,0,0]=3 118 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,1,0|2,0,0]=3 119 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,1|3,0,0]=4 120 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,0,0,0,0,1|2,0,1]=4 121 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,0,1|1,1,0]=3 122 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,0,1|2,0,0]=3 123 B7R0.3 C/C=C/CC(N)CO Z1718361642 [2,0,0,0,0,0|1,0,1]=4 124 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|1,0,1]=4 125 B7R0.4 CC#CCCC(=O)O Z1205493674 [2,0,0,0,0,0|1,0,1]=4 126 B7R0.4 CC(=O)NCCCO Z353570744 [2,0,0,0,0,0|1,0,1]=4 127 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|1,0,1]=4 129 B7R0.4 CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|0,0,1]=3 130 B7R0.4 CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|0,1,1]=4 131 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [2,0,0,0,0,0|1,0,1]=4 135 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|0,0,1]=3 136 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|0,0,1]=3 137 B7R0.5 CC(NC=O)C(=O)O Z56757230 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|1,0,1]=4 139 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|0,0,1]=3 140 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|0,0,1]=3 141 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|0,0,1]=3 142 B7R0.5 CCOC(C)C(=O)O Z316258934 [2,0,0,0,0,0|1,0,1]=4 143 B7R0.5 CNCC(C)C(=O)O Z1270387301 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.5 COCC(C)C(=O)O Z431541094 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|0,0,0]=2 146 B7R0.5 CSCC(C)C(=O)O Z732206684 [2,0,0,0,0,0|1,1,0]=4 147 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|0,1,0]=3 148 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|0,0,2]=4 150 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|1,0,1]=4 151 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|0,0,2]=4 152 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|0,0,2]=4 153 B7R0.6 CC(=O)NCC(C)O Z353603952 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.6 CC(=O)OCC(=S)N Z411884132 [2,0,0,0,0,0|0,1,1]=4 155 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [1,1,0,0,0,0|1,0,1]=4 156 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [1,1,0,0,0,0|1,0,1]=4 157 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [1,1,0,0,0,0|1,0,1]=4 158 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [1,1,0,0,0,0|2,0,0]=4 159 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|1,0,1]=4 160 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [1,1,0,0,0,0|1,0,1]=4 161 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,1,0,0,0,0|2,0,0]=4 162 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [1,1,0,0,0,0|1,0,1]=4 163 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [1,1,0,0,0,0|0,1,1]=4 164 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [1,1,0,0,0,0|1,0,1]=4 165 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [1,1,0,0,0,0|1,0,1]=4 166 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [1,1,0,0,0,0|1,0,1]=4 167 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [1,1,0,0,0,0|1,0,1]=4 168 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [1,1,0,0,0,0|1,0,1]=4 169 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [1,1,0,0,0,0|1,0,0]=3 170 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [1,1,0,0,0,0|2,0,0]=4 171 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [1,1,0,0,0,0|1,0,1]=4 172 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|1,0,0]=3 173 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [1,1,0,0,0,0|2,0,0]=4 174 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [1,1,0,0,0,0|2,0,0]=4 175 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [1,1,0,0,0,0|1,0,0]=3 176 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [1,1,0,0,0,0|1,0,0]=3 177 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,1,0,0,0,0|2,0,0]=4 178 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,1,0,0,0,0|2,0,0]=4 179 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,1,0,0,0,0|2,0,0]=4 180 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [1,1,0,0,0,0|2,0,0]=4 181 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,0,0,1,0|1,0,0]=3 183 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [0,1,0,0,1,0|2,0,0]=4 184 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,1,0,0,1,0|1,0,1]=4 185 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,0,0,1,0|2,0,0]=4 186 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [0,1,0,0,1,0|2,0,0]=4 187 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [0,1,0,0,1,0|2,0,0]=4 188 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,1,0,0,1,0|1,0,1]=4 189 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,0,0,1,0|2,0,0]=4 190 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,1,0|1,0,0]=3 191 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,1,0|1,0,1]=4 192 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,1,0,0,1,0|1,0,1]=4 193 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,1,0,0,1,0|2,0,0]=4 194 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,1,0,0,1,0|1,0,1]=4 195 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,1,0|2,0,0]=4 196 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,1,0|2,0,0]=4 197 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,1,0,0,1,0|1,0,1]=4 198 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,1,0|2,0,0]=4 199 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,1,0|2,0,0]=4 200 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,1,0|2,0,0]=4 201 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,1,0|2,0,0]=4 202 B11R0.143 CC(=O)OCC(CO)OC(=O)C Z1198148277 [0,1,0,0,0,1|2,0,0]=4 203 B11R0.232 CC(=O)OCC(C)(C)CC(=O)O Z1262553534 [0,1,0,0,0,1|1,0,0]=3 204 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,1,0,0,0,1|1,1,0]=4 205 B11R0.308 C[C@@H](OC(C)(C)C)[C@H](N)C(=O)O Z1203159858 [0,2,0,0,0,0|1,0,1]=4 206 B11R0.201 COC(=O)CCC(C)(C)C(=O)O Z1262512264 [0,2,0,0,0,0|2,0,0]=4 207 B11R0.118 CNC(COC(C)C)C(=O)OC Z1463351176 [0,2,0,0,0,0|1,0,1]=4 208 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Z1809258545 [0,2,0,0,0,0|1,0,0]=3 209 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Z1741979091 [0,2,0,0,0,0|1,0,0]=3 210 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,0,0,1,0,0|2,0,0]=4 211 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [1,0,0,1,0,0|1,0,0]=3 212 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|1,0,1]=4 213 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,0,0,1,0,0|1,0,1]=4 214 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [1,0,0,1,0,0|2,0,0]=4 215 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [1,0,0,1,0,0|1,0,1]=4 216 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [1,0,0,1,0,0|0,0,1]=3 217 B9R1.6 O=C(O)C1COCCO1 Z362763682 [1,0,0,1,0,0|1,0,1]=4 218 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|1,0,1]=4 219 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [1,0,0,1,0,0|1,0,1]=4 220 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [1,0,0,1,0,0|0,1,1]=4 221 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|1,0,1]=4 222 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [1,0,0,1,0,0|2,0,0]=4 223 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [1,0,0,1,0,0|1,0,0]=3 224 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [1,0,0,1,0,0|1,1,0]=4 225 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|2,0,0]=4 226 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|1,0,0]=3 227 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|2,0,0]=4 228 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,1,0,0|2,0,0]=4 229 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|1,0,0]=3 230 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|1,0,0]=3 231 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,1,0,0|0,0,0]=2 232 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [1,0,0,1,0,0|0,1,0]=3 233 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,1,0,0|1,0,0]=3 234 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [1,0,0,1,0,0|2,0,0]=4 235 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [1,0,0,1,0,0|0,1,0]=3 236 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [1,0,0,1,0,0|1,0,0]=3 237 B9R1.59 CCOC1CC1C(=O)O Z432051730 [1,0,0,1,0,0|1,0,1]=4 238 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [1,0,0,1,0,0|1,0,1]=4 240 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [1,0,0,1,0,0|1,0,1]=4 241 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [1,0,0,1,0,0|1,0,1]=4 242 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [1,0,0,1,0,0|1,0,0]=3 243 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [1,0,0,1,0,0|1,0,1]=4 244 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [1,0,0,1,0,0|0,0,1]=3 245 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [1,0,0,1,0,0|0,1,1]=4 246 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [1,0,0,1,0,0|1,0,1]=4 247 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [1,0,0,1,0,0|1,0,1]=4 248 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [1,0,0,1,0,0|2,0,0]=4 249 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|2,0,0]=4 253 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,0,0,1,1,0|1,0,0]=3 254 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,0,0,1,1,0|1,0,1]=4 255 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,0,0,1,1,0|0,0,0]=2 256 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,0,0,1,1,0|1,0,1]=4 257 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,0,0,1,1,0|0,0,2]=4 258 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,0,0,1,1,0|1,0,1]=4 259 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,0,0,1,0,1|2,0,0]=4 260 B11R1.20 O=C(O)CC1CCC(=O)NC1 Z1416171278 [0,0,0,1,0,1|2,0,0]=4 261 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,0,0,1,0,1|2,0,0]=4 262 B11R1.565 O=C1CCC(CCO1)C(=O)O Z1216841619 [0,0,0,1,0,1|1,0,0]=3 263 B11R1.667 CC1CC(CCO1)(N)C(=O)O Z3006084661 [0,0,0,1,0,1|1,0,1]=4 264 B11R1.730 CC1(COCC(N1)C(=O)O)C Z1739253890 [0,0,0,1,0,1|1,0,1]=4 265 B11R1.166 CC1CC(=O)CCC1C(=O)O Z1262519171 [0,1,0,1,0,0|2,0,0]=4 266 B11R1.166 CC1CNC(C(O1)C)C(=O)O Z2380417725 [0,1,0,1,0,0|1,0,1]=4 267 B11R1.166 C[C@H]1CNC([C@H](O1)C)C(=O)O Z4685707855 [0,1,0,1,0,0|1,0,1]=4 268 B11R1.220 CC1(CCC(=O)CC1)C(=O)O Z1255438161 [0,1,0,1,0,0|2,0,0]=4 269 B11R1.220 CC1(CCC(=O)NC1)C(=O)O Z1813108106 [0,1,0,1,0,0|2,0,0]=4 270 B11R1.220 CC1(COC(=O)OC1)C(=O)O Z1216826472 [0,1,0,1,0,0|1,0,0]=3 271 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]=4 272 B11R1.22 COC(=O)C1CCC(=O)NC1 Z795248068 [0,1,0,1,0,0|2,0,0]=4 273 B11R1.853 CNC(=O)N1CC(C1)C(=O)O Z1269648323 [0,1,0,1,0,0|2,0,0]=4 274 B11R1.3 O=CC1=CNC(CC1)C(=O)O Z3446087356 [0,1,0,1,0,0|1,0,1]=4 275 B11R1.727 CC1(CNC(CO1)C(=O)O)C Z1255416501 [0,1,0,1,0,0|1,0,1]=4 276 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Z3353488989 [0,1,0,1,0,0|2,0,0]=4 277 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,0,0,0,2,0|2,0,0]=4 278 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,0,0,0,2,0|1,0,0]=3 279 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,2,0|2,0,0]=4 280 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,0,0,0,2,0|1,0,1]=4 281 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,0,0,0,2,0|1,0,1]=4 282 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,0,0,0,2,0|1,0,1]=4 283 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,0,0,0,2,0|0,0,2]=4 284 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,0,0,0,2,0|0,0,2]=4 285 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,0,0,0,2,0|0,0,2]=4 286 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,0,0,0,2,0|2,0,0]=4 287 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,2,0|2,0,0]=4 288 B9R0.55 CC(=NOCCC(=O)O)C Z1205494264 [1,0,0,0,0,1|1,0,0]=3 289 B9R0.55 CC(C)COCCC(=O)O Z316259216 [1,0,0,0,0,1|1,0,1]=4 290 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [1,0,0,0,0,1|1,0,1]=4 291 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,0,0,0,0,1|2,0,0]=4 292 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [1,0,0,0,0,1|1,1,0]=4 293 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,0,0,0,0,1|2,0,0]=4 294 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,0,0,0,0,1|2,0,0]=4 295 B11R0.29 CC(=CCSCC(N)C(=O)O)C Z317025846 [0,0,0,0,0,2|1,1,0]=4 296 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C Z760035506 [0,0,0,0,0,2|1,1,0]=4 297 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,0,0,0,0,2|1,0,0]=3 298 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Z1255438848 [0,0,0,0,0,2|2,0,0]=4 299 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,0,0,0,0,2|2,0,0]=4