0 B6R0.3 B(C(C)CC)(O)O AB25482 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,0,0,0,0,0|0,1,0]=1 2 B6R0.3 CC(CN)C(=O)O AB00933 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 CCC(C(=O)O)N AB00928 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 B(CCC)(O)O AB08045 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 C#CCC(=O)O AB11673 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 C(CCl)C(=N)N AB30465 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 C(CO)C(=N)N AB48909 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 C(CO)C(F)F AB76811 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 C=C(CCCl)I MB13669 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 CC(=O)\C=N\O AB00206 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.3 C(=O)C(C=O)Br PB21703 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.3 C=C(CO)CO PB20901 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.3 CCC(=O)C=O AB21438 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 C[C@@H](CO)NC AB31545 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.5 B(C(C)C)(O)O AB08847 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.5 CC(C(=O)N)N AB43014 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.5 CC(C)C(=N)N AB07702 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.5 CC(C)C(=S)N AB32169 [1,0,0,0,0,0|2,1,0]=4 23 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,0,0,0,0,0|0,0,0]=1 25 B7R0.5 CC(C)C(CCO)N AB31007 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.10 C([C@@H]([C@H](CO)N)N)O MB06933 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.10 C([C@H]([C@@H](CO)N)N)O MB06944 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.10 CCC(C(=O)OC)N AB16757 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.13 CC(C)(CN)C(=O)N PB29404 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.13 CC(C)(CN)C(=O)O AB49662 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.13 C[C@@](CO)(C(=O)O)N AB03932 [0,1,0,0,0,0|0,0,0]=1 38 B7R0.13 C[C@@](CS)(C(=O)O)N AB56457 [0,1,0,0,0,0|0,1,0]=2 39 B7R0.13 C[C@](CO)(C(=O)O)N AB03935 [0,1,0,0,0,0|0,0,0]=1 40 B7R0.13 C[C@](CS)(C(=O)O)N AB65504 [0,1,0,0,0,0|0,1,0]=2 41 B7R0.14 C(C(C(F)(F)F)N)O AB60356 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.14 C([C@@H](C(F)(F)F)N)O AB77360 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.14 C([C@H](C(F)(F)F)N)O AB60357 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.15 CCC(CN)C(=O)O AB62466 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.16 C(C(=N)N)(C(=O)N)N AB53459 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.8 C1CC(=O)C1CO PB37542 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.18 C1C(CN1)C(=O)N PB14800 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.18 C1C(CN1)C(=O)N PB22567 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.18 C1C(CN1)C(=O)O PB12129 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.18 C1CN(C1)C(=O)O AB16585 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.18 C1CNC1C(=O)N MB03936 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.18 C1CNC1C(=O)O PB12060 [0,0,0,1,0,0|1,0,0]=2 70 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.18 C1COC1C(=O)O PB26385 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.19 C1CC1(C(=O)O)N PB23174 [0,0,0,1,0,0|1,0,0]=2 73 B7R0.2 CCC(CC(=O)O)N AB01525 [0,0,0,0,0,1|1,0,0]=2 74 B4R0.1 B(CC)(O)O AB08033 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.1 C(C(=N)N)O AB12726 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.1 C(C(=N)N)O AB21804 [2,0,0,0,0,0|1,0,1]=4 77 B4R0.1 CC(=O)C=O AB00820 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.1 CC(=O)NN AB00888 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 CC(=O)NO AB01014 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 CCC(=N)N AB07703 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.1 C\C(=N\O)\N AB06530 [2,0,0,0,0,0|1,0,1]=4 82 B4R0.2 C=CCCBr AB00123 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.2 C=CCCN AB14698 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.1 COC(=N)CCCl AB61008 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.1 COC(=O)CC#C AB11822 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.4 C#CCCC(=O)O CB10019 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.7 CC(C)(C(=O)N)Br MB05789 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.7 CC(C)(C(=O)O)N AB00918 [1,1,0,0,0,0|0,0,0]=2 90 B6R0.7 C[C@@H](C(C)(C)O)N MB19778 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,1,0,0,0,1|2,0,0]=4 92 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,1,0,0,0,1|1,0,0]=3 93 B8R0.34 CC(=O)OC(C)(C)CO AB53345 [0,1,0,0,0,1|2,0,0]=4 94 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [0,2,0,0,0,0|0,0,0]=2 95 B8R0.12 CCCC(C)(C(=O)O)N AB12001 [0,2,0,0,0,0|1,0,0]=3 96 B8R0.12 CCC[C@@](C)(C(=O)O)N AB09816 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.12 CCC[C@](C)(C(=O)O)N AB21888 [0,2,0,0,0,0|1,0,0]=3 98 B8R0.12 COCC(C(=O)O)(F)F PB38464 [0,2,0,0,0,0|1,0,0]=3 99 B8R0.12 C[C@@](CC=C)(C(=O)O)N AB04108 [0,2,0,0,0,0|1,0,0]=3 100 B8R0.12 C[C@](CC=C)(C(=O)O)N AB03939 [0,2,0,0,0,0|1,0,0]=3 101 B8R0.13 CC(C)(CN)C(=O)OC AB64273 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.37 CC(C)[C@@](C)(C(=O)O)N AB08744 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.37 CC(C)[C@](C)(C(=O)O)N AB08748 [0,2,0,0,0,0|1,0,0]=3 104 B8R0.27 C(C(=O)O)(C(F)(F)F)N CB10017 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.27 C(C(=O)O)(C(F)(F)F)N CB10827 [0,2,0,0,0,0|1,0,0]=3 106 B8R0.27 CC(C)(C)C(C(=O)O)N AB02673 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N AB02564 [0,2,0,0,0,0|1,0,0]=3 108 B8R0.27 CC(C)(C)[C@H](C(=O)O)N AB00342 [0,2,0,0,0,0|1,0,0]=3 109 B8R0.18 CC(C)C(CN)C(=O)O AB35707 [0,2,0,0,0,0|1,0,0]=3 110 B8R0.18 CC(C)[C@@H](CN)C(=O)O AB35710 [0,2,0,0,0,0|1,0,0]=3 111 B8R0.18 CC(C)[C@H](CN)C(=O)O AB35713 [0,2,0,0,0,0|1,0,0]=3 112 B6R1.2 C1CNCC1=O PB21807 [1,0,0,1,0,0|2,0,0]=4 113 B6R1.2 C1COCC1=O PB17440 [1,0,0,1,0,0|1,0,0]=3 114 B6R1.2 C1COCC1O PB24525 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.2 C1COC[C@@H]1O PB17096 [1,0,0,1,0,0|1,0,1]=4 116 B6R1.2 C1COC[C@H]1O PB25950 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.2 C1CONC1=O MB10654 [1,0,0,1,0,0|1,0,0]=3 118 B6R1.5 C1C(CC1=O)Br PB30412 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.5 C1C(CC1=O)F PB36975 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.5 C1C(CC1=O)N PB20766 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.6 C1C(CO1)C=O AB76630 [1,0,0,1,0,0|1,0,0]=3 122 B6R1.6 C1C(CO1)CO PB28641 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.6 C1CNC1CO PB21145 [1,0,0,1,0,0|1,0,1]=4 124 B6R1.6 C1CN[C@H]1CO PB13255 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.7 C1CC1(CO)N PB26047 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.1 C1=C(N=NC1CO)O AB44010 [0,0,0,1,0,1|1,0,1]=4 127 B8R1.1 C1C(CNC1=O)CO PB26709 [0,0,0,1,0,1|2,0,0]=4 128 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,0,0,1,0,1|2,0,0]=4 129 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,0,0,1,0,1|2,0,0]=4 130 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,0,0,1,0,1|2,0,0]=4 131 B8R1.4 C1CNC(=O)CC1N PB11631 [0,0,0,1,0,1|2,0,0]=4 132 B8R1.31 C1CN(C1C(=O)O)N MB69364 [0,0,0,1,0,1|2,0,0]=4 133 B8R1.34 C1C(CN1)CC(=O)O PB17729 [0,0,0,1,0,1|2,0,0]=4 134 B8R1.34 C1C(CO1)CC(=O)O PB15407 [0,0,0,1,0,1|1,0,0]=3 135 B8R1.5 C1COCC(C1=O)Br PB18064 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.5 C1COCC(C1=O)F PB28362 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,1,0,1,0,0|1,0,1]=4 138 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,1,0,1,0,0|1,0,1]=4 140 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.7 C1C=CCC1C(=O)O PB14124 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.7 C1CNCC1C(=O)N PB11736 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.7 C1CNCC1C(=O)N PB32691 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.7 C1CNCC1C(=O)O PB19915 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.7 C1COC=C1C(=O)O PB26262 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.7 C1COCC1C(=O)N PB20686 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.7 C1[C@@H](NCS1)C(=O)O AB03779 [0,1,0,1,0,0|0,1,0]=3 162 B8R1.23 C1C(CC1=O)C(=O)O PB20916 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.23 C1C(CC1F)C(=O)O PB20399 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.23 C1C(CC1O)C(=O)O PB26416 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [0,1,0,1,0,0|1,0,0]=3 169 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.23 C1[C@@H](NC1=O)C(=O)O PB27000 [0,1,0,1,0,0|0,0,1]=3 172 B8R1.23 C1[C@H](NC1=O)C(=O)O PB21715 [0,1,0,1,0,0|0,0,1]=3 173 B8R1.23 C=C1CC(C1)C(=O)O PB25975 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.23 CC1CC(C1)C(=O)O PB21154 [0,1,0,1,0,0|2,0,0]=4 175 B8R1.23 CN1CC(C1)C(=O)O PB25405 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.54 C1CC1C(C(=O)O)N CB11349 [0,1,0,1,0,0|1,0,0]=3 179 B8R1.78 C1C(CN1)(C(=O)O)F PB37679 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.78 C1C(CN1)(C(=O)O)N PB15076 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.78 C1C(CO1)(C(=O)O)N PB22638 [0,1,0,1,0,0|0,0,0]=2 182 B8R1.78 C1C(CS1)(C(=O)O)N PB19288 [0,1,0,1,0,0|0,1,0]=3 183 B8R1.78 C1CC(C1)(C(=O)O)N PB32216 [0,1,0,1,0,0|1,0,0]=3 184 B8R1.78 CC(=O)C1(COC1)C PB19706 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.78 CC1(CCC1)C(=O)O PB11149 [0,1,0,1,0,0|2,0,0]=4 186 B8R1.78 CC1(COC1)C(=O)O PB28060 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.11 C1C(C(=O)CO1)C#N PB39082 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.38 COC(=O)C1CCN1 MB03946 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.38 COC(=O)C1CNC1 CB11044 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.38 COC(=O)C1CNC1 PB17252 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [0,1,0,1,0,0|1,0,0]=3 192 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [0,1,0,1,0,0|1,0,0]=3 193 B8R1.50 C1CN(C(=O)C1N)O AB02803 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.63 C1CC1(CN)C(=O)O MB03717 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.77 C1C(C1(F)F)C(=O)O AB20620 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.77 CC1(CC1C(=O)O)C AB21127 [0,1,0,1,0,0|2,0,0]=4 197 B8R2.66 C1C2C1(C2)C(=O)O PB24438 [0,0,0,2,0,0|2,0,0]=4