0 B7R0.3 C[C@H](CO)OCOC AB53701 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.4 B(CCCCC)(O)O AB08098 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,1,0,0,0,0|1,0,0]=2 8 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.42 CC(C(=O)O)NC(=O)OC AB63726 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.42 CNC(=O)C[C@H](C(=O)O)N AB18413 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.51 C[C@@](CCSC)(C(=O)O)N AB76492 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.51 C[C@](CCSC)(C(=O)O)N AB76378 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.5 CN1CCNCCC1=O AB49613 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.6 B(C1CCCCC1)(O)O AB08478 [0,0,0,1,0,0|1,0,1]=3 17 B9R1.6 B(C1CCOCC1)(O)O AB32598 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.6 C1CC(CNC1)C(=O)N PB19847 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,0,0,1,0,0|1,0,0]=2 20 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,0,0,1,0,0|1,0,0]=2 21 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,0,0,1,0,0|1,0,0]=2 23 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.6 C1CNCCC1C(=N)N AB22053 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.6 C1CNCCC1C(=O)N PB25917 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.6 C1CNCCC1C(=O)O AB00566 [0,0,0,1,0,0|1,0,0]=2 28 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.6 C1COC(CN1)C(=O)O MB02947 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.6 C1COCC(N1)C(=O)O PB12912 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.6 C1COCCC1C(=N)N PB32880 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 C1COCCC1C(=O)O PB14093 [0,0,0,1,0,0|1,0,0]=2 35 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.6 C1CO[C@@H](CN1)C(=O)O MB08517 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.6 C1CO[C@H](CN1)C(=O)O MB09173 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.6 C1CSCCC1C(=O)O PB25232 [0,0,0,1,0,0|1,0,0]=2 40 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,0,0,1,0,0|0,0,2]=3 43 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB11551 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB31846 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,0,0,1,0,0|1,0,0]=2 46 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,0,0,1,0,0|0,0,2]=3 47 B9R1.6 C1C[C@H](CNC1)C(=O)N PB24496 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.6 C1C[C@H](CNC1)C(=O)N PB31844 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,0,0,1,0,0|1,0,0]=2 50 B9R1.23 CN1CC(CC1=O)CN PB25187 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.35 C1CC(=O)CC1C(=O)O PB17215 [0,0,0,1,0,0|1,0,1]=3 52 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O PB28806 [0,0,0,1,0,0|1,0,1]=3 53 B9R1.35 C1CC(=O)C[C@H]1C(=O)O PB15404 [0,0,0,1,0,0|1,0,1]=3 54 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,0,0,1,0,0|1,0,0]=2 55 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,0,0,1,0,0|1,0,0]=2 56 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,0,0,1,0,0|1,0,0]=2 57 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,0,0,1,0,0|1,0,0]=2 58 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O MB00931 [0,0,0,1,0,0|1,0,2]=4 59 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F AB12545 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O MB00510 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S PB10959 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O AB44957 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F AB12544 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O AB02585 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O AB00391 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PB26480 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.35 C1[C@H](NCC1=O)C(=O)O AB31269 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.35 C1[C@H](NCC1=O)C(=O)O CB11605 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,0,0,1,0,0|1,0,0]=2 75 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,0,0,1,0,0|1,0,0]=2 79 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.95 C1C(CC1C(=O)O)CN PB35806 [0,0,0,1,0,0|1,0,0]=2 86 B9R1.95 C1C(CC1C(=O)O)CO PB10714 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.95 COC1CC(C1)C(=O)O PB16064 [0,0,0,1,0,0|1,0,0]=2 88 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O PB37294 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O PB16996 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.110 C1C(CO1)C(C(=O)O)N PB11723 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N PB38610 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.110 C1C(CO1)[C@H](C(=O)O)N PB36253 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.110 C1CC(C1)C(C(=O)O)N PB17607 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N PB16030 [0,0,0,1,0,0|1,0,0]=2 95 B9R1.110 C1CC(C1)[C@H](C(=O)O)N PB27915 [0,0,0,1,0,0|1,0,0]=2 96 B9R1.110 CC(=O)N(C)C1CNC1 PB32857 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.112 C1CC1C[C@@H](C(=O)O)N AB16716 [0,0,0,1,0,0|1,0,0]=2 98 B9R1.163 C1C=CCC1(C(=O)O)N AB14600 [0,0,0,1,0,0|1,0,2]=4 99 B9R1.163 C1CCC(C1)(C(=O)O)O CB10167 [0,0,0,1,0,0|1,0,0]=2 100 B9R1.163 C1CNCC1(C(=O)O)F PB31935 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.163 C1CNCC1(C(=O)O)N AB43590 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.163 C1COCC1(C(=O)O)N PB18879 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.163 CC1(CCCN1)C(=O)O AB08716 [0,0,0,1,0,0|1,0,0]=2 104 B9R1.163 CC1(CCCO1)C(=O)O CB10966 [0,0,0,1,0,0|1,0,0]=2 105 B9R1.163 CC1(CCOC1)C(=O)O PB17988 [0,0,0,1,0,0|1,0,0]=2 106 B9R1.163 C[C@@]1(CCCN1)C(=O)O PB18294 [0,0,0,1,0,0|1,0,0]=2 107 B9R1.163 C[C@]1(CCCN1)C(=O)O PB34076 [0,0,0,1,0,0|1,0,0]=2 108 B9R0.4 CCCCC(CC(=O)O)N AB08231 [0,0,0,0,0,1|1,0,0]=2 109 B6R0.4 C#CCCC(=O)O CB10019 [2,0,0,0,0,0|0,0,2]=4 110 B6R0.3 B(C(C)CC)(O)O AB25482 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.3 CC(CN)C(=O)O AB00933 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.3 CCC(C(=O)O)N AB00928 [2,0,0,0,0,0|1,0,0]=3 114 B6R0.3 CCN(C)C(=O)Cl MB05193 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.3 C[C@H](CN)C(=O)O AB08204 [2,0,0,0,0,0|1,0,0]=3 117 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,1,0,0,0,0|0,0,0]=2 118 B8R0.5 CCOC(=O)CC(=O)O AB01280 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.7 B(CCCCCC)(O)O AB08083 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [1,1,0,0,0,0|1,0,0]=3 121 B8R0.12 CCCC(C)(C(=O)O)N AB12001 [1,1,0,0,0,0|0,0,0]=2 122 B8R0.12 CCC[C@@](C)(C(=O)O)N AB09816 [1,1,0,0,0,0|0,0,0]=2 123 B8R0.12 CCC[C@](C)(C(=O)O)N AB21888 [1,1,0,0,0,0|0,0,0]=2 124 B8R0.12 COCC(C(=O)O)(F)F PB38464 [1,1,0,0,0,0|2,0,0]=4 125 B8R0.12 C[C@@](CC=C)(C(=O)O)N AB04108 [1,1,0,0,0,0|0,0,2]=4 126 B8R0.12 C[C@](CC=C)(C(=O)O)N AB03939 [1,1,0,0,0,0|0,0,2]=4 127 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [1,1,0,0,0,0|0,0,1]=3 128 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N AB01460 [0,2,0,0,0,0|2,0,0]=4 129 B10R0.19 CCCCC(=O)C(=O)OCC PB13106 [0,2,0,0,0,0|1,0,1]=4 130 B10R0.42 C[C@@](CCCCN)(C(=O)O)N AB71660 [0,2,0,0,0,0|0,0,0]=2 131 B10R0.42 C[C@](CCCCN)(C(=O)O)N AB76167 [0,2,0,0,0,0|0,0,0]=2 132 B10R0.98 CC(=O)OCC[C@@H](C(=O)O)N AB30649 [0,2,0,0,0,0|1,0,1]=4 133 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.1 CN1CC[C@H](C1)CO PB31861 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.2 C1CC(CNC1)CO PB21599 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.2 C1CC(COC1)C=O AB16155 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.2 C1CC(COC1)CO PB12514 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.2 C1CCNC(C1)C=O AB52540 [1,0,0,1,0,0|1,0,0]=3 139 B8R1.2 C1CCOC(C1)C=O MB05934 [1,0,0,1,0,0|1,0,0]=3 140 B8R1.2 C1CCOC(C1)CO AB00784 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.2 C1CNCCC1C=O AB52543 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.2 C1CNCCC1CO PB10118 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.2 C1COCCC1C=O AB14645 [1,0,0,1,0,0|1,0,0]=3 144 B8R1.2 C1COCCC1CO PB18487 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.2 C1CSCCC1C=O AB14650 [1,0,0,1,0,0|1,0,0]=3 146 B8R1.2 C1CSCCC1CO PB28111 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.3 CC1CNC(CO1)C AB55657 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,1,0,0|1,0,0]=3 149 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.5 C1CNCC(C1=O)F PB20587 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.5 C1COCC(C1=O)Br PB18064 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.5 C1COCC(C1=O)F PB28362 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.5 CC1C(=O)NCCN1 AB04135 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.5 CC1C(=O)NCCO1 AB71412 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.5 CC1CCNCC1=O PB36769 [1,0,0,1,0,0|1,0,0]=3 161 B8R1.5 CC1CCNCC1O PB36981 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.5 CC1CNCCC1=O PB23474 [1,0,0,1,0,0|1,0,0]=3 163 B8R1.5 CC1COCCC1=O PB26907 [1,0,0,1,0,0|1,0,0]=3 164 B8R1.5 CN1CCNCC1=O PB24934 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.52 C[C@@]1(CCCN1)CO PB37364 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.52 C[C@]1(CCCN1)CO PB35769 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.4 CC1CNCC(=O)N1 AB37299 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.7 B(C1CCCC1)(O)O AB08034 [1,0,0,1,0,0|1,0,1]=4 182 B8R1.7 C1C=CCC1C(=O)O PB14124 [1,0,0,1,0,0|0,0,2]=4 183 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,1,0,0|0,0,0]=2 184 B8R1.7 C1CNCC1C(=O)N PB11736 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.7 C1CNCC1C(=O)N PB32691 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.7 C1CNCC1C(=O)O PB19915 [1,0,0,1,0,0|1,0,0]=3 187 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [1,0,0,1,0,0|1,0,0]=3 189 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [1,0,0,1,0,0|1,0,0]=3 192 B8R1.7 C1COCC1C(=O)N PB20686 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [1,0,0,1,0,0|1,0,0]=3 194 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [1,0,0,1,0,0|1,0,0]=3 197 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.7 C1[C@@H](NCS1)C(=O)O AB03779 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.31 C1CN(C1C(=O)O)N MB69364 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.34 C1C(CN1)CC(=O)O PB17729 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.34 C1C(CO1)CC(=O)O PB15407 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.23 C1C(CC1=O)C(=O)O PB20916 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.23 C1C(CC1F)C(=O)O PB20399 [1,0,0,1,0,0|1,0,0]=3 205 B8R1.23 C1C(CC1O)C(=O)O PB26416 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.23 C=C1CC(C1)C(=O)O PB25975 [1,0,0,1,0,0|0,0,2]=4 212 B8R1.23 CC1CC(C1)C(=O)O PB21154 [1,0,0,1,0,0|0,0,0]=2 213 B8R1.23 CN1CC(C1)C(=O)O PB25405 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [1,0,0,1,0,0|0,0,0]=2 215 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [1,0,0,1,0,0|0,0,0]=2 216 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.54 C1CC1C(C(=O)O)N CB11349 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.78 C1C(CN1)(C(=O)O)F PB37679 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.78 C1C(CN1)(C(=O)O)N PB15076 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.78 C1C(CO1)(C(=O)O)N PB22638 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.78 C1C(CS1)(C(=O)O)N PB19288 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.78 C1CC(C1)(C(=O)O)N PB32216 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.78 CC(=O)C1(COC1)C PB19706 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.78 CC1(CCC1)C(=O)O PB11149 [1,0,0,1,0,0|0,0,0]=2 225 B8R1.78 CC1(COC1)C(=O)O PB28060 [1,0,0,1,0,0|1,0,0]=3 226 B10R1.18 B(CC1CCCCC1)(O)O AB53934 [0,0,0,1,0,1|1,0,1]=4 227 B10R1.18 C1CC(CNC1)CC(=O)O PB14441 [0,0,0,1,0,1|1,0,0]=3 228 B10R1.18 C1CCN(CC1)CC(=O)O AB06105 [0,0,0,1,0,1|1,0,0]=3 229 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [0,0,0,1,0,1|1,0,0]=3 230 B10R1.18 C1CN(CCN1)CC(=O)O AB13768 [0,0,0,1,0,1|2,0,0]=4 231 B10R1.18 C1CNCCC1CC(=O)N PB30145 [0,0,0,1,0,1|2,0,0]=4 232 B10R1.18 C1CNCCC1CC(=O)O PB18605 [0,0,0,1,0,1|1,0,0]=3 233 B10R1.18 C1COC(CN1)CC(=O)O AB17145 [0,0,0,1,0,1|2,0,0]=4 234 B10R1.18 C1COCC(N1)CC(=O)O PB27599 [0,0,0,1,0,1|2,0,0]=4 235 B10R1.18 C1COCCC1=CC(=O)O AB18107 [0,0,0,1,0,1|1,0,1]=4 236 B10R1.18 C1COCCC1CC(=O)O PB33952 [0,0,0,1,0,1|1,0,0]=3 237 B10R1.18 C1COC[C@@H](N1)CC(=O)O MB69354 [0,0,0,1,0,1|2,0,0]=4 238 B10R1.18 C1COC[C@H](N1)CC(=O)O MB69353 [0,0,0,1,0,1|2,0,0]=4 239 B10R1.18 C1CO[C@@H](CN1)CC(=O)O MB15018 [0,0,0,1,0,1|2,0,0]=4 240 B10R1.18 C1CO[C@H](CN1)CC(=O)O MB15022 [0,0,0,1,0,1|2,0,0]=4 241 B10R1.18 C1CSCCN1CC(=O)O AB16490 [0,0,0,1,0,1|2,0,0]=4 242 B10R1.18 C1C[C@@H](CNC1)CC(=O)O AB70074 [0,0,0,1,0,1|1,0,0]=3 243 B10R1.18 C1C[C@H](CNC1)CC(=O)O AB70075 [0,0,0,1,0,1|1,0,0]=3 244 B10R1.18 CC(=O)OC1CCCCS1 AB31207 [0,0,0,1,0,1|2,0,0]=4 245 B10R1.18 CC(=O)SC1CCOCC1 AB76313 [0,0,0,1,0,1|2,0,0]=4 246 B10R1.54 C1CN(CC1N)CC(=O)O AB29043 [0,0,0,1,0,1|2,0,0]=4 247 B10R1.54 C1CN(C[C@@H]1N)CC(=O)O AB29040 [0,0,0,1,0,1|2,0,0]=4 248 B10R1.54 C1CN(C[C@@H]1O)CC(=O)O AB39264 [0,0,0,1,0,1|2,0,0]=4 249 B10R1.54 C1CN(C[C@H]1N)CC(=O)O AB29038 [0,0,0,1,0,1|2,0,0]=4 250 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [0,0,0,1,0,1|1,0,0]=3 251 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)N AB50604 [0,0,0,1,0,1|2,0,0]=4 252 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [0,0,0,1,0,1|1,0,0]=3 253 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [0,0,0,1,0,1|1,0,0]=3 254 B10R1.61 CN1CCCCC1C(=O)O AB09264 [0,0,0,1,0,1|1,0,0]=3 255 B10R1.61 CN1CCOCC1C(=O)O AB28234 [0,0,0,1,0,1|2,0,0]=4 256 B10R1.266 C1CC(C1)C(CC(=O)O)N AB24717 [0,0,0,1,0,1|1,0,0]=3 257 B10R1.266 C1CC(C1)[C@@H](CC(=O)O)N AB36099 [0,0,0,1,0,1|1,0,0]=3 258 B10R1.266 C1CC(C1)[C@H](CC(=O)O)N AB36096 [0,0,0,1,0,1|1,0,0]=3 259 B10R1.28 C1CCC(CC1)S(=O)(=O)Cl AB20735 [0,1,0,1,0,0|1,0,1]=4 260 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N AB15910 [0,1,0,1,0,0|1,0,0]=3 261 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N AB15907 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.23 C1COCC1C(C(=O)O)N AB10007 [0,1,0,1,0,0|1,0,0]=3 263 B10R1.23 CC(=O)N(C)C1CCNC1 PB15630 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 PB26750 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 PB38867 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.13 C1CC(=O)CCC1C(=O)O PB10093 [0,1,0,1,0,0|0,0,1]=3 267 B10R1.13 C1CC(=O)NCC1C(=O)O PB30997 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.13 C1CC(CCC1C(=O)O)F AB68681 [0,1,0,1,0,0|0,0,0]=2 269 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O PB18272 [0,1,0,1,0,0|1,0,0]=3 270 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O PB10129 [0,1,0,1,0,0|0,0,0]=2 271 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O PB21681 [0,1,0,1,0,0|0,0,0]=2 272 B10R1.13 CC(=O)N1CCC(CC1)N PB24800 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.13 CC(=O)N1CCC(CC1)O PB11970 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.13 CN1CCC(CC1)C(=O)N AB25815 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.13 CN1CCC(CC1)C(=O)O AB04504 [0,1,0,1,0,0|1,0,0]=3 276 B10R1.13 CN1CCC(CC1)C(=O)O PB21919 [0,1,0,1,0,0|1,0,0]=3 277 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,1,0,1,0,0|0,0,0]=2 278 B10R1.359 C1CC(CC1C(=O)O)(F)F PB33240 [0,1,0,1,0,0|1,0,0]=3 279 B10R1.359 C1CC(C[C@@H]1C(=O)O)(F)F PB37611 [0,1,0,1,0,0|1,0,0]=3 280 B10R1.359 C1CC(C[C@H]1C(=O)O)(F)F PB33719 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.359 C1[C@@H](NCC1(F)F)C(=O)O PB38232 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.359 C1[C@H](NCC1(F)F)C(=O)O PB27295 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.359 C1[C@H](NCC1(F)F)C(=O)O PB34534 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.14 CN1CCC(C1)C(=O)OC AB65288 [0,1,0,1,0,0|1,0,0]=3 285 B10R1.14 COC(=O)C1CCC(=O)C1 PB20391 [0,1,0,1,0,0|1,0,1]=4 286 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 PB27535 [0,1,0,1,0,0|1,0,1]=4 287 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N PB15463 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N PB37186 [0,1,0,1,0,0|1,0,0]=3 289 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)F AB39258 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)F AB29326 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 PB31918 [0,1,0,1,0,0|1,0,1]=4 292 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N PB38858 [0,1,0,1,0,0|1,0,0]=3 293 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N PB36059 [0,1,0,1,0,0|1,0,0]=3 294 B10R1.15 C1CC(COC1)C(=O)NN PB15327 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.15 C1COCCC1C(=O)NN PB29666 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.15 C1COCCN1C(=O)CO AB44986 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.15 COC(=O)C1CCCOC1 PB29711 [0,1,0,1,0,0|1,0,0]=3 298 B10R1.15 COC(=O)C1CCNCC1 AB04510 [0,1,0,1,0,0|1,0,0]=3 299 B10R1.15 COC(=O)C1CCOCC1 PB10181 [0,1,0,1,0,0|1,0,0]=3 300 B10R1.15 COC(=O)C1CCSCC1 PB17687 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.15 COC(=O)[C@@H]1CCCNC1 PB34398 [0,1,0,1,0,0|1,0,0]=3 302 B10R1.15 COC(=O)[C@@H]1CNCCN1 PB16226 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.15 COC(=O)[C@H]1CCCNC1 PB17641 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.15 COC(=O)[C@H]1CNCCN1 PB16053 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.29 CCCCN1CCCC1=O AB01298 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.176 CN1CCC(CC1=O)CN PB16684 [0,1,0,1,0,0|2,0,0]=4 307 B10R1.176 CN1CCC(CC1=O)CO PB24273 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.182 COC(=O)C(C1COC1)N PB11945 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.411 CC1(CCCN1)C(=O)OC AB76260 [0,1,0,1,0,0|1,0,0]=3 310 B10R1.411 CC1(CCCO1)C(=O)OC PB30335 [0,1,0,1,0,0|1,0,0]=3 311 B10R1.411 CC1(CCOC1)C(=O)OC PB37448 [0,1,0,1,0,0|1,0,0]=3 312 B10R1.411 COC(=O)C1(CCOC1)N PB38402 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.411 C[C@@]1(CCCN1)C(=O)OC PB38925 [0,1,0,1,0,0|1,0,0]=3 314 B10R1.411 C[C@]1(CCCN1)C(=O)OC PB36404 [0,1,0,1,0,0|1,0,0]=3 315 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O AB49857 [0,1,0,1,0,0|1,0,1]=4 316 B10R1.38 C[C@]1(CCCC[C@@H]1CN)O AB42824 [0,1,0,1,0,0|1,0,1]=4 317 B10R1.194 CN1C(CCC1=O)C(=O)O MB14791 [0,1,0,1,0,0|1,0,1]=4 318 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [0,1,0,1,0,0|0,0,0]=2 319 B10R1.113 C1CNC(=O)CC1C(=O)O PB11932 [0,1,0,1,0,0|1,0,1]=4 320 B10R1.113 C1CN[C@@H](C[C@@H]1O)C(=O)O AB55088 [0,1,0,1,0,0|1,0,0]=3 321 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O AB49077 [0,1,0,1,0,0|1,0,1]=4 322 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O AB16268 [0,1,0,1,0,0|1,0,1]=4 323 B10R1.113 CN1CCCC(C1)C(=O)O PB20225 [0,1,0,1,0,0|0,0,0]=2 324 B10R1.113 CN1CCNC(C1)C(=O)O AB25814 [0,1,0,1,0,0|1,0,0]=3 325 B10R1.113 CN1CCOC(C1)C(=O)O AB28265 [0,1,0,1,0,0|1,0,0]=3 326 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,1,0,1,0,0|0,0,0]=2 327 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,1,0,1,0,0|0,0,0]=2 328 B10R1.262 CCOC1CC(=O)C1(C)C PB24412 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.363 C1CNCCC1(C(=O)O)N AB11717 [0,1,0,1,0,0|1,0,0]=3 330 B10R1.363 C1CNCCC1(C(=O)O)N PB12229 [0,1,0,1,0,0|1,0,0]=3 331 B10R1.363 C1COCCC1(C(=O)O)F PB15021 [0,1,0,1,0,0|1,0,0]=3 332 B10R1.363 C1COCCC1(C(=O)O)N PB20179 [0,1,0,1,0,0|1,0,0]=3 333 B10R1.363 C1CSCCC1(C(=O)O)N AB25459 [0,1,0,1,0,0|1,0,0]=3 334 B10R1.363 CC1(CCCNC1)C(=O)O PB15028 [0,1,0,1,0,0|0,0,0]=2 335 B10R1.363 CC1(CCOCC1)C(=O)O PB34675 [0,1,0,1,0,0|0,0,0]=2 336 B10R1.363 CC1(CCSCC1)C(=O)O PB30322 [0,1,0,1,0,0|0,0,0]=2 337 B10R1.356 C[C@@](CC1CC1)(C(=O)O)N AB75851 [0,1,0,1,0,0|0,0,0]=2 338 B10R1.356 C[C@](CC1CC1)(C(=O)O)N AB85568 [0,1,0,1,0,0|0,0,0]=2 339 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,2,0,0|2,0,0]=4 340 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [0,0,0,2,0,0|1,0,0]=3 341 B10R2.344 C1C2C1(CNC2)C(=O)O PB25715 [0,0,0,2,0,0|1,0,0]=3 342 B10R2.351 C1[C@@H]2[C@@H]([C@H]2C(=O)N)CN1 PB15387 [0,0,0,2,0,0|2,0,0]=4 343 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O PB24875 [0,0,0,2,0,0|1,0,0]=3 344 B10R2.357 C1C2C1CC(C2)C(=O)O PB25532 [0,0,0,2,0,0|0,0,0]=2 345 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O PB10586 [0,0,0,2,0,0|1,0,0]=3 346 B10R2.348 C1[C@]2(NC[C@@H]1C2)C(=O)O PB25057 [0,0,0,2,0,0|1,0,0]=3