0 B7R0.16 C(C(=N)N)(C(=O)N)N AB53459 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.2 B(CC(C)C)(O)O AB03722 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.2 CC(C)CC(=N)N AB60903 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.2 CC(C)CC(=S)N AB52630 [1,0,0,0,0,0|1,1,0]=3 6 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.3 B(C(C)CC)(O)O AB25482 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.3 CC(C)C(C#N)O AB07208 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.3 CC(CN)C(=O)O AB00933 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.3 CCC(C(=O)O)N AB00928 [1,0,0,0,0,0|0,0,0]=1 12 B6R0.3 CCN(C)C(=O)Cl MB05193 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.3 C[C@H](CN)C(=O)O AB08204 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.18 CC(C)C(CN)C(=O)O AB35707 [0,1,0,0,0,0|0,0,0]=1 17 B8R0.18 CC(C)[C@@H](CN)C(=O)O AB35710 [0,1,0,0,0,0|0,0,0]=1 18 B8R0.18 CC(C)[C@H](CN)C(=O)O AB35713 [0,1,0,0,0,0|0,0,0]=1 19 B8R0.27 C(C(=O)O)(C(F)(F)F)N CB10017 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.27 C(C(=O)O)(C(F)(F)F)N CB10827 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.27 CC(C)(C)C(C(=O)O)N AB02673 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N AB02564 [0,1,0,0,0,0|0,0,0]=1 23 B8R0.27 CC(C)(C)[C@H](C(=O)O)N AB00342 [0,1,0,0,0,0|0,0,0]=1 24 B8R0.37 CC(C)[C@@](C)(C(=O)O)N AB08744 [0,1,0,0,0,0|0,0,0]=1 25 B8R0.37 CC(C)[C@](C)(C(=O)O)N AB08748 [0,1,0,0,0,0|0,0,0]=1 26 B8R1.31 C1CN(C1C(=O)O)N MB69364 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [0,0,0,1,0,0|1,0,1]=3 28 B8R1.54 C1CC1C(C(=O)O)N CB11349 [0,0,0,1,0,0|0,0,0]=1 29 B8R1.77 C1C(C1(F)F)C(=O)O AB20620 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.77 CC1(CC1C(=O)O)C AB21127 [0,0,0,1,0,0|1,0,0]=2 31 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,0,0,0,0,1|2,0,1]=4 32 B5R0.1 B(CCC)(O)O AB08045 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 C#CCC(=O)O AB11673 [2,0,0,0,0,0|0,0,2]=4 34 B5R0.1 CC(C)N=C=O AB00193 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.3 CCC(=O)C=O AB21438 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.5 B(C(C)C)(O)O AB08847 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.5 CC(C(=O)N)N AB43014 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.5 CC(C)C(=N)N AB07702 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.5 CC(C)C(=S)N AB32169 [2,0,0,0,0,0|0,1,1]=4 40 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.5 C[C@@H](C(=O)O)N AB02601 [2,0,0,0,0,0|0,0,0]=2 42 B7R0.2 CCC(CC(=O)O)N AB01525 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.9 B(CC(C)(C)C)(O)O AB51406 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.9 C(C(=O)O)C(F)(F)F AB04100 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.9 CC(C)(C)OC(=O)N PB11584 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.9 CC(C)CS(=O)(=O)Cl AB32247 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.5 CC(C)C(CCO)N AB31007 [1,1,0,0,0,0|0,0,1]=3 48 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,1,0,0,0,0|0,0,0]=2 49 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,1,0,0,0,0|0,0,0]=2 50 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [1,1,0,0,0,0|0,0,0]=2 51 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [1,1,0,0,0,0|0,0,0]=2 52 B7R0.10 C([C@@H]([C@H](CO)N)N)O MB06933 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.10 C([C@H]([C@@H](CO)N)N)O MB06944 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.10 CCC(C(=O)OC)N AB16757 [1,1,0,0,0,0|0,0,0]=2 55 B7R0.13 CC(C)(CN)C(=O)O AB49662 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [1,1,0,0,0,0|0,0,0]=2 57 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [1,1,0,0,0,0|0,0,0]=2 58 B7R0.13 C[C@@](CO)(C(=O)O)N AB03932 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.13 C[C@@](CS)(C(=O)O)N AB56457 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.13 C[C@](CO)(C(=O)O)N AB03935 [1,1,0,0,0,0|1,0,0]=3 61 B7R0.13 C[C@](CS)(C(=O)O)N AB65504 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.14 CC(C)(C)C(=O)C=O AB08363 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.15 CCC(CN)C(=O)O AB62466 [1,1,0,0,0,0|0,0,0]=2 64 B9R0.10 C([C@@H](C(F)(F)F)N)C(=O)O AB68464 [0,1,0,0,0,1|2,0,0]=4 65 B9R0.10 C([C@H](C(F)(F)F)N)C(=O)O AB68465 [0,1,0,0,0,1|2,0,0]=4 66 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N AB09832 [0,1,0,0,0,1|0,0,0]=2 67 B9R0.11 CC(C)C[C@](C)(C(=O)O)N AB48913 [0,1,0,0,0,1|0,0,0]=2 68 B9R0.39 CC(C)CC(CN)C(=O)O AB35728 [0,1,0,0,0,1|0,0,0]=2 69 B9R0.39 CC(C)C[C@@H](CN)C(=O)O AB35730 [0,1,0,0,0,1|0,0,0]=2 70 B9R0.39 CC(C)C[C@H](CN)C(=O)O AB35733 [0,1,0,0,0,1|0,0,0]=2 71 B9R0.42 CNC(=O)C[C@H](C(=O)O)N AB18413 [0,1,0,0,0,1|1,0,1]=4 72 B9R0.57 C([C@@H](C(=O)O)N)C(F)(F)F AB71803 [0,1,0,0,0,1|2,0,0]=4 73 B9R0.57 C([C@H](C(=O)O)N)C(F)(F)F AB68601 [0,1,0,0,0,1|2,0,0]=4 74 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N AB02684 [0,1,0,0,0,1|0,0,0]=2 75 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N AB01734 [0,1,0,0,0,1|0,0,0]=2 76 B9R0.80 CC(C(=O)O)(C(F)(F)F)N AB42403 [0,2,0,0,0,0|2,0,0]=4 77 B7R1.2 C1C(CNC1=O)N PB17844 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.2 C1[C@H](CNC1=O)O AB05836 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.20 C1CC1CC(=N)N AB49225 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.20 C1CC1CC(=O)O PB21648 [1,0,0,1,0,0|0,0,0]=2 86 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [1,0,0,1,0,0|1,0,1]=4 93 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [1,0,0,1,0,0|1,0,1]=4 98 B7R1.18 C1C(CN1)C(=O)O PB12129 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.18 C1C(CO1)C(=O)O PB18896 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.18 C1CN(C1)C(=O)O AB16585 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.18 C1CNC1C(=O)N MB03936 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.18 C1CNC1C(=O)O PB12060 [1,0,0,1,0,0|0,0,0]=2 103 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [1,0,0,1,0,0|0,0,0]=2 104 B7R1.18 C1COC1C(=O)O PB26385 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.19 C1CC1(C(=O)O)N PB23174 [1,0,0,1,0,0|0,0,0]=2 106 B7R1.22 C1CC1C(=O)C=O AB62322 [1,0,0,1,0,0|1,0,1]=4 107 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,0,0,1,0,1|2,0,0]=4 108 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,0,0,1,0,1|2,0,0]=4 109 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,0,0,1,0,1|2,0,0]=4 110 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,0,0,1,0,1|2,0,0]=4 111 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F AB12545 [0,0,0,1,0,1|1,0,0]=3 112 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O MB00510 [0,0,0,1,0,1|1,0,0]=3 113 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S PB10959 [0,0,0,1,0,1|1,0,0]=3 114 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O AB44957 [0,0,0,1,0,1|1,0,0]=3 115 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F AB12544 [0,0,0,1,0,1|1,0,0]=3 116 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O AB02585 [0,0,0,1,0,1|1,0,0]=3 117 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O AB00391 [0,0,0,1,0,1|1,0,0]=3 118 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PB26480 [0,0,0,1,0,1|1,0,0]=3 119 B9R1.35 C1[C@H](NCC1=O)C(=O)O AB31269 [0,0,0,1,0,1|1,0,1]=4 120 B9R1.35 C1[C@H](NCC1=O)C(=O)O CB11605 [0,0,0,1,0,1|1,0,1]=4 121 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,0,0,1,0,1|2,0,0]=4 122 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,0,0,1,0,1|2,0,0]=4 123 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,0,0,1,0,1|2,0,0]=4 124 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,0,0,1,0,1|2,0,0]=4 125 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,0,0,1,0,1|1,0,0]=3 126 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,0,0,1,0,1|0,0,0]=2 127 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,0,0,1,0,1|1,0,0]=3 128 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,0,0,1,0,1|0,0,0]=2 129 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,0,0,1,0,1|2,0,0]=4 130 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,0,0,1,0,1|2,0,0]=4 131 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,0,0,1,0,1|2,0,0]=4 132 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,0,0,1,0,1|2,0,0]=4 133 B9R1.112 C1CC1C[C@@H](C(=O)O)N AB16716 [0,0,0,1,0,1|0,0,0]=2 134 B9R1.137 C1CC1C(CC(=O)O)N AB10167 [0,0,0,1,0,1|0,0,0]=2 135 B9R1.137 C1CC1[C@@H](CC(=O)O)N AB36095 [0,0,0,1,0,1|0,0,0]=2 136 B9R1.137 C1CC1[C@H](CC(=O)O)N AB23543 [0,0,0,1,0,1|0,0,0]=2 137 B9R1.152 C1C(CC1(C(=O)O)N)F PB22992 [0,0,0,1,0,1|1,0,0]=3 138 B9R1.152 C1[C@@](C[C@@H]1F)(N)C(=O)O PB35852 [0,0,0,1,0,1|1,0,0]=3 139 B9R1.152 C1[C@@](C[C@H]1F)(N)C(=O)O PB37744 [0,0,0,1,0,1|1,0,0]=3 140 B9R1.152 C[C@]1(C[C@@H](C1)N)C(=O)O PB35318 [0,0,0,1,0,1|2,0,0]=4 141 B9R1.152 C[C@]1(C[C@H](C1)N)C(=O)O PB25823 [0,0,0,1,0,1|2,0,0]=4 142 B9R1.164 CC1(CC(=C1)C(=O)O)C PB18244 [0,0,0,1,0,1|1,0,1]=4 143 B9R1.164 CC1(CC(C1)C(=O)O)C PB14266 [0,0,0,1,0,1|1,0,0]=3 144 B9R1.164 CC1(CC(C1)C(=O)O)O PB15169 [0,0,0,1,0,1|2,0,0]=4 145 B9R1.164 C[C@]1(C[C@@H](C1)C(=O)O)O PB36576 [0,0,0,1,0,1|2,0,0]=4 146 B9R1.164 C[C@]1(C[C@H](C1)C(=O)O)O PB35306 [0,0,0,1,0,1|2,0,0]=4 147 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [0,1,0,1,0,0|1,0,0]=3 148 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [0,1,0,1,0,0|0,0,0]=2 152 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [0,1,0,1,0,0|0,0,0]=2 153 B9R1.101 COC(=O)C(C1CC1)N CB11621 [0,1,0,1,0,0|0,0,0]=2 154 B9R1.110 C1C(CO1)C(C(=O)O)N PB11723 [0,1,0,1,0,0|0,0,0]=2 155 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N PB38610 [0,1,0,1,0,0|0,0,0]=2 156 B9R1.110 C1C(CO1)[C@H](C(=O)O)N PB36253 [0,1,0,1,0,0|0,0,0]=2 157 B9R1.110 C1CC(C1)C(C(=O)O)N PB17607 [0,1,0,1,0,0|0,0,0]=2 158 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N PB16030 [0,1,0,1,0,0|0,0,0]=2 159 B9R1.110 C1CC(C1)[C@H](C(=O)O)N PB27915 [0,1,0,1,0,0|0,0,0]=2 160 B9R2.143 C1CC12CC2C(=O)O PB20104 [0,0,0,2,0,0|1,0,0]=3 161 B7R0.6 CC(=O)NCC(=O)O AB00351 [1,0,0,0,0,1|1,0,1]=4 162 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,0,0,0,0,2|0,0,0]=2 163 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,0,0,0,0,2|0,0,0]=2