0 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,0,0,0,0|2,0,1]=3 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)C(N)CCC(=O)O Z4607148563 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,0,0|0,0,0]=0 7 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,0,0|0,0,0]=0 8 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,0,0|0,0,0]=0 9 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.7 NC(CCC(=O)O)C(F)F Z2733335696 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [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|1,0,0]=2 17 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,0,0,0,0,0|0,0,1]=2 33 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,0,0,0,0,0|0,0,1]=2 34 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,0,0,0,0,0|0,0,1]=2 35 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,0|1,0,1]=3 45 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,0|0,0,0]=1 49 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,0|1,0,0]=2 51 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,0|1,0,0]=2 53 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,0|1,0,0]=2 54 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,0|2,0,0]=3 57 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Z1262511309 [0,1,0,0,0,0|3,0,0]=4 58 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,1,0,0,0,0|2,0,0]=3 59 B10R0.43 CC(=O)CCC(F)(F)C(=O)[O-] Z3824931634 [0,1,0,0,0,0|2,0,1]=4 60 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,0|2,0,0]=3 61 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Z1251354570 [0,1,0,0,0,0|3,0,0]=4 62 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [0,1,0,0,0,0|2,0,1]=4 63 B10R0.57 C=CC(=O)N(C)CCC(=O)N Z2237263647 [0,1,0,0,0,0|3,0,0]=4 64 B10R0.57 COC(=O)C(N)CCC(=O)N Z3251990215 [0,1,0,0,0,0|0,0,0]=1 65 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,1,0,0,0,0|2,0,1]=4 66 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,0|1,0,0]=2 67 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,0|1,0,0]=2 68 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,1,0,0,0,0|2,0,1]=4 69 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,0|2,0,0]=3 70 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N Z425449706 [0,1,0,0,0,0|3,0,0]=4 71 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,0,0|2,0,0]=3 72 B10R0.92 NC(CCC(F)(F)F)C(=O)O Z1954804076 [0,1,0,0,0,0|2,0,1]=4 73 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Z3444602422 [0,1,0,0,0,0|1,0,1]=3 74 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,0,0,1,0,0|3,0,0]=4 76 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,0,0,1,0,0|3,0,0]=4 77 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,0,0,1,0,0|2,0,1]=4 78 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,0,0,1,0,0|2,0,1]=4 79 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,0,0,1,0,0|2,0,1]=4 80 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,0,0,1,0,0|2,0,1]=4 81 B10R1.13 NC(=O)C1CCC(=O)NC1 Z458890528 [0,0,0,1,0,0|2,0,0]=3 82 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,0,0,1,0,0|3,0,0]=4 83 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,0,0,1,0,0|2,0,0]=3 84 B10R1.13 NC1=NCC(CN1)C(=O)O Z2379964091 [0,0,0,1,0,0|3,0,0]=4 85 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,1,0,0|1,0,2]=4 86 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,0,0,1,0,0|2,0,1]=4 87 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,0,0,1,0,0|0,0,2]=3 88 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,1,0,0|2,0,0]=3 89 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,1,0,0|1,0,0]=2 90 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,1,0,0|2,0,0]=3 91 B10R1.58 CN1CC(CC1=O)C(=O)N Z365255930 [0,0,0,1,0,0|3,0,0]=4 92 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,0,0,1,0,0|2,0,1]=4 93 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,0,0,1,0,0|2,0,1]=4 94 B10R1.120 CC1(NC(=O)CCC1N)C Z2009982538 [0,0,0,1,0,0|2,0,1]=4 95 B10R1.349 NC(=O)N1CC(C1)C(=O)O Z1217191917 [0,0,0,1,0,0|2,0,0]=3 96 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,0,0,1,0,0|2,0,1]=4 97 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,0,0,1,0,0|3,0,0]=4 98 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,0,0,1,0,0|2,0,1]=4 99 B10R1.365 CC1(CCC1(N)C(=O)O)C Z5783123373 [0,0,0,1,0,0|2,0,1]=4 100 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,0,0,1,0,0|2,0,1]=4 101 B10R1.470 CC1(CNC(=O)C1)C(=O)O Z1642347436 [0,0,0,1,0,0|3,0,0]=4 102 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,0,0,1,0,0|2,0,1]=4 103 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,0,0,1,0,0|1,0,0]=2 104 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,0,0,1,0,0|1,0,2]=4 105 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,0,0,1,0|2,0,0]=3 106 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,0,0,0,1,0|2,0,1]=4 107 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,0,0,0,1,0|2,0,0]=3 108 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,0,0,0,1,0|3,0,0]=4 109 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,0,0,0,1,0|3,0,0]=4 110 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,0,0,0,1,0|3,0,0]=4 111 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,0,0,0,1,0|2,0,1]=4 112 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,0,0,0,1,0|2,0,1]=4 113 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,0,0,0,1,0|2,0,1]=4 114 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,0,0,1,0|1,0,0]=2 115 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,0,0,0,1,0|3,0,0]=4 116 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,0,0,0,1,0|3,0,0]=4 117 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,0,0,0,1,0|2,0,1]=4 118 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,0,0,0,1,0|2,0,0]=3 119 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,0,0,1,0|0,0,0]=1 120 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,0,0,1,0|0,0,0]=1 121 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,0,0,1,0|0,0,0]=1 122 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,0,0,1,0|2,0,0]=3 123 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,0,0,1,0|1,0,0]=2 124 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,0,0,0,1,0|2,0,1]=4 125 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,0,0,1,0|1,0,0]=2 126 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,0,0,1,0|1,0,0]=2 127 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,1,0|2,0,1]=4 128 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,1,0|2,0,0]=3 129 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,1,0|2,0,0]=3 130 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,1,0|2,0,0]=3 131 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,1,0|2,0,0]=3 132 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,1|2,0,0]=3 133 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,0,0,0,0,1|2,0,1]=4 134 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,0,0,0,0,1|2,0,1]=4 135 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,0,1|1,0,0]=2 136 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,0,1|1,0,0]=2 137 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|1,0,0]=3 138 B7R0.4 C=CCNCC(=O)O Z803145546 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.4 C=CCOCC(=O)O Z362807794 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.4 C=CCSCC(=O)O Z149151274 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,1]=4 142 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|0,0,2]=4 146 B7R0.4 NC(=O)COCCO Z1198148880 [2,0,0,0,0,0|1,0,1]=4 147 B7R0.4 NC(=O)NCCCO Z198194722 [2,0,0,0,0,0|1,0,1]=4 148 B7R0.4 NCCCCC(=O)N Z1639630947 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|0,0,1]=3 150 B7R0.4 NCCNCC(=O)O Z2692249907 [2,0,0,0,0,0|1,0,1]=4 151 B7R0.4 NCCOCC(=O)O Z1650039500 [2,0,0,0,0,0|1,0,1]=4 152 B7R0.4 NCCSCC(=O)O Z1381287295 [2,0,0,0,0,0|1,0,1]=4 153 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|1,0,1]=4 154 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|0,1,1]=4 155 B7R0.4 O=C([O-])CCCCO Z2335631573 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|0,0,1]=3 157 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|0,0,1]=3 158 B7R0.5 CC(CCN)C(=O)O Z2298167292 [2,0,0,0,0,0|1,0,0]=3 159 B7R0.5 CC(NC=O)C(=O)O Z56757230 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|1,0,1]=4 161 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|0,0,1]=3 162 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|0,0,1]=3 163 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|0,0,1]=3 164 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|1,0,1]=4 165 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|1,0,1]=4 166 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|1,0,0]=3 167 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|0,0,1]=3 168 B7R0.5 NCCC(F)C(=O)O Z3235903750 [2,0,0,0,0,0|1,0,0]=3 169 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|0,0,0]=2 170 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [2,0,0,0,0,0|1,0,0]=3 171 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|0,0,1]=3 172 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|0,0,1]=3 173 B7R0.6 CC(N)CCC(=O)O Z1235963367 [2,0,0,0,0,0|1,0,1]=4 174 B7R0.6 CC(O)CCC(=O)O Z838959470 [2,0,0,0,0,0|2,0,0]=4 175 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [1,1,0,0,0,0|1,0,1]=4 176 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [1,1,0,0,0,0|1,0,1]=4 177 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [1,1,0,0,0,0|1,0,1]=4 178 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [1,1,0,0,0,0|2,0,0]=4 179 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [1,1,0,0,0,0|1,0,1]=4 180 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [1,1,0,0,0,0|1,0,1]=4 181 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [1,1,0,0,0,0|1,0,0]=3 182 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [1,1,0,0,0,0|2,0,0]=4 183 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [1,1,0,0,0,0|1,0,1]=4 184 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [1,1,0,0,0,0|1,0,1]=4 185 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [1,1,0,0,0,0|0,0,2]=4 186 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [1,1,0,0,0,0|0,1,1]=4 187 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [1,1,0,0,0,0|0,0,2]=4 188 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [1,1,0,0,0,0|0,0,1]=3 189 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [1,1,0,0,0,0|0,0,1]=3 190 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [1,1,0,0,0,0|1,0,1]=4 191 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [1,1,0,0,0,0|2,0,0]=4 192 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [1,1,0,0,0,0|2,0,0]=4 193 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [1,1,0,0,0,0|0,0,1]=3 194 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|1,0,0]=3 195 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [1,1,0,0,0,0|2,0,0]=4 196 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [1,1,0,0,0,0|2,0,0]=4 197 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [1,1,0,0,0,0|2,0,0]=4 198 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [1,1,0,0,0,0|2,0,0]=4 199 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,1,0,0,0,0|1,0,0]=3 200 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,1,0,0,0,0|1,0,0]=3 201 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [1,1,0,0,0,0|2,0,0]=4 202 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,1,0,0,0,0|1,0,0]=3 203 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [1,1,0,0,0,0|2,0,0]=4 204 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [1,1,0,0,0,0|1,0,0]=3 205 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [1,1,0,0,0,0|2,0,0]=4 206 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,0,0,1,0|2,0,0]=4 207 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,0,0,1,0|2,0,0]=4 208 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,0,0,1,0|2,0,0]=4 209 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [0,1,0,0,1,0|2,0,0]=4 210 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [0,1,0,0,1,0|2,0,0]=4 211 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,1,0|1,0,0]=3 212 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,1,0|2,0,0]=4 213 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,1,0|2,0,0]=4 214 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,1,0|2,0,0]=4 215 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,1,0|2,0,0]=4 216 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,1,0|2,0,0]=4 217 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,1,0|2,0,0]=4 218 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,1,0,0,0,1|1,0,0]=3 219 B11R0.201 COC(=O)CCC(C)(C)C(=O)O Z1262512264 [0,2,0,0,0,0|2,0,0]=4 220 B11R0.288 COC(=O)C(C)(C)CCC(=O)O Z1198331064 [0,2,0,0,0,0|2,0,0]=4 221 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Z1809258545 [0,2,0,0,0,0|1,0,0]=3 222 B11R0.290 COC(=O)C(N)CCS(=O)(=O)N Z2941405023 [0,2,0,0,0,0|1,0,0]=3 223 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Z1741979091 [0,2,0,0,0,0|0,0,0]=2 224 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,0,0,1,0,0|2,0,0]=4 225 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [1,0,0,1,0,0|1,0,1]=4 226 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|1,0,1]=4 227 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [1,0,0,1,0,0|2,0,0]=4 229 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [1,0,0,1,0,0|2,0,0]=4 230 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|1,0,1]=4 231 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|1,0,1]=4 232 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [1,0,0,1,0,0|1,0,1]=4 233 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [1,0,0,1,0,0|2,0,0]=4 235 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|1,0,0]=3 237 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|0,0,0]=2 238 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|1,0,0]=3 239 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|0,0,0]=2 241 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|0,0,0]=2 242 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [1,0,0,1,0,0|1,0,0]=3 246 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,1,0,0|1,0,0]=3 247 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [1,0,0,1,0,0|2,0,0]=4 248 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [1,0,0,1,0,0|1,0,0]=3 249 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [1,0,0,1,0,0|1,0,0]=3 251 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [1,0,0,1,0,0|1,0,1]=4 252 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [1,0,0,1,0,0|1,0,1]=4 253 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [1,0,0,1,0,0|1,0,1]=4 254 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [1,0,0,1,0,0|1,0,1]=4 255 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [1,0,0,1,0,0|1,0,1]=4 256 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [1,0,0,1,0,0|1,0,1]=4 257 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [1,0,0,1,0,0|2,0,0]=4 260 B9R1.125 CC1(CCC(=O)N1)CO Z1258978054 [1,0,0,1,0,0|1,0,1]=4 261 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [1,0,0,1,0,0|1,0,1]=4 263 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [1,0,0,1,0,0|1,0,1]=4 264 B9R1.66 O=C1CCCS(=O)(=O)N1 Z1201624740 [1,0,0,1,0,0|1,0,1]=4 265 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|0,0,0]=2 266 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|1,0,0]=3 267 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [1,0,0,1,0,0|2,0,0]=4 268 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|1,0,0]=3 269 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,0,0,1,1,0|2,0,0]=4 270 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,0,0,1,1,0|1,0,0]=3 271 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,0,0,1,0,1|2,0,0]=4 272 B11R1.20 O=C(O)CC1CCC(=O)NC1 Z1416171278 [0,0,0,1,0,1|1,0,0]=3 273 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,0,0,1,0,1|2,0,0]=4 274 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Z1814367061 [0,0,0,1,0,1|1,0,0]=3 275 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,0,0,1,0,1|2,0,0]=4 276 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,0,0,1,0,1|2,0,0]=4 277 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,0,0,1,0,1|2,0,0]=4 278 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,0,0,1,0,1|2,0,0]=4 279 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Z2255110079 [0,0,0,1,0,1|1,0,0]=3 280 B11R1.565 O=C1CCC(CCO1)C(=O)O Z1216841619 [0,0,0,1,0,1|2,0,0]=4 281 B11R1.166 CC1CC(=O)CCC1C(=O)O Z1262519171 [0,1,0,1,0,0|2,0,0]=4 282 B11R1.166 CN1CC(CCC1C(=O)O)N Z4383496345 [0,1,0,1,0,0|1,0,1]=4 283 B11R1.220 CC1(CCC(=O)CC1)C(=O)O Z1255438161 [0,1,0,1,0,0|2,0,0]=4 284 B11R1.220 CC1(CCC(=O)NC1)C(=O)O Z1813108106 [0,1,0,1,0,0|1,0,0]=3 285 B11R1.220 NC1CCC(CC1)(N)C(=O)O Z1483956645 [0,1,0,1,0,0|1,0,1]=4 286 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O Z1270392248 [0,1,0,1,0,0|1,0,0]=3 287 B11R1.1389 O=C(O)[C@H]1C[C@](C1)(O)C(=O)O Z3271169452 [0,1,0,1,0,0|2,0,0]=4 288 B11R1.22 COC(=O)C1CCC(=O)NC1 Z795248068 [0,1,0,1,0,0|1,0,0]=3 289 B11R1.853 CNC(=O)N1CC(C1)C(=O)O Z1269648323 [0,1,0,1,0,0|2,0,0]=4 290 B11R1.3 O=CC1=CNC(CC1)C(=O)O Z3446087356 [0,1,0,1,0,0|1,0,0]=3 291 B11R1.515 CN1C(CCS1(=O)=O)C(=O)O Z1504680896 [0,1,0,1,0,0|2,0,0]=4 292 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Z3353488989 [0,1,0,1,0,0|2,0,0]=4 293 B11R2.113 O=C1CC(N1)C2CCC2=O Z2786043470 [0,0,0,2,0,0|2,0,0]=4 294 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,0,0,0,2,0|2,0,0]=4 295 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,0,0,0,2,0|2,0,0]=4 296 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,2,0|2,0,0]=4 297 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,0,0,0,2,0|1,0,0]=3 298 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,2,0|2,0,0]=4 299 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [1,0,0,0,0,1|1,0,1]=4 300 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,0,0,0,0,1|0,0,0]=2 301 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [1,0,0,0,0,1|0,0,0]=2 302 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,0,0,0,0,1|0,0,0]=2 303 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,0,0,0,0,1|1,0,0]=3 304 B11R0.29 CC(=CCSCC(N)C(=O)O)C Z317025846 [0,0,0,0,0,2|2,0,0]=4 305 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C Z760035506 [0,0,0,0,0,2|2,0,0]=4 306 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,0,0,0,0,2|1,0,0]=3 307 B11R0.29 N=C(N)NCCCC(N)C(=O)O Z56896349 [0,0,0,0,0,2|1,0,0]=3 308 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Z1201618596 [0,0,0,0,0,2|1,0,0]=3 309 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Z1143220275 [0,0,0,0,0,2|1,0,0]=3 310 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Z1255438848 [0,0,0,0,0,2|0,0,0]=2 311 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,0,0,0,0,2|0,0,0]=2