0 B7R0.4 B(CCCCC)(O)O AB08098 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.4 B(\C=C\CCC)(O)O AB08112 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 C#CCCC(=O)O CB10019 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.4 C=C(CCCCl)I MB13670 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.6 CCCNCCC AB02251 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.6 COCCCON MB19791 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.6 COCCN=C=O AB50988 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.7 B(CCCCCC)(O)O AB08083 [0,1,0,0,0,0|1,0,1]=3 12 B8R0.7 B(\C=C\CCCC)(O)O AB08038 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.21 COCCCS(=O)(=O)Cl AB66343 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.21 [B-](CCCCC)(F)(F)F AB31994 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.28 CC(=NOCC(=O)O)C AB13789 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.1 C1C(CNC1=O)CN PB10686 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.1 C1C(CNC1=O)CO PB26709 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.1 C1CC(=O)NC1CN AB28123 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.4 C1CNC(=O)CC1N PB11631 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.4 CC1CC(CCN1)O PB10241 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.4 CC1CC(CCO1)O PB22789 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.4 CN1CCCC(C1)O PB17042 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.7 B(C1CCCC1)(O)O AB08034 [0,0,0,1,0,0|1,0,1]=3 54 B8R1.7 B(C1CCNC1)(O)O AB68586 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.7 C1C=CCC1C(=O)O PB14124 [0,0,0,1,0,0|0,0,2]=3 56 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,0,0,1,0,0|0,0,0]=1 57 B8R1.7 C1CNCC1C(=O)N PB11736 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.7 C1CNCC1C(=O)N PB32691 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.7 C1CNCC1C(=O)O PB19915 [0,0,0,1,0,0|1,0,0]=2 60 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [0,0,0,1,0,0|1,0,0]=2 62 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [0,0,0,1,0,0|1,0,0]=2 65 B8R1.7 C1COC=C1C(=O)O PB26262 [0,0,0,1,0,0|1,0,2]=4 66 B8R1.7 C1COCC1C(=O)N PB20686 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [0,0,0,1,0,0|1,0,0]=2 68 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [0,0,0,1,0,0|1,0,0]=2 69 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.7 C1[C@@H](NCS1)C(=O)O AB03779 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.22 C1CC(CCNC1)O PB18652 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.22 C1CNCCNC1=O AB07054 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.31 C1CN(C1C(=O)O)N MB69364 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.34 C1C(CN1)CC(=O)O PB17729 [0,0,0,1,0,0|1,0,0]=2 80 B8R1.34 C1C(CO1)CC(=O)O PB15407 [0,0,0,1,0,0|1,0,0]=2 81 B8R1.34 C1C(CO1)C[N+](=O)[O-] AB65636 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.34 CC(=O)NC1CNC1 PB23547 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.34 CC(=O)SC1CNC1 PB19657 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.72 C1CCS(=O)(=O)NC1 AB17207 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.72 C1CS(=O)(=O)CCN1 PB18693 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.72 C1CS(=O)(=O)CCN1 PB21955 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.72 CC1(CCCNC1)O PB32801 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.72 CC1(CCNCC1)O PB10877 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.72 CC1(CCNCC1)O PB32903 [0,0,0,1,0,0|2,0,1]=4 90 B5R0.1 B(CCC)(O)O AB08045 [2,0,0,0,0,0|1,0,1]=4 91 B5R0.1 C#CCC(=O)O AB11673 [2,0,0,0,0,0|0,0,2]=4 92 B7R0.2 CCC(CC(=O)O)N AB01525 [1,1,0,0,0,0|0,0,0]=2 93 B7R0.3 COC(=O)CCC=C AB16906 [1,1,0,0,0,0|0,0,2]=4 94 B7R0.3 COC(=O)CCCO AB65249 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,1,0,0,0,0|0,0,0]=2 96 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,1,0,0,0,0|0,0,0]=2 97 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [1,1,0,0,0,0|1,0,0]=3 98 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.6 CC(=O)NCC(=O)O AB00351 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.1 CNCCCCC=C CB11323 [1,1,0,0,0,0|1,0,0]=3 101 B9R0.4 CCCCC(CC(=O)O)N AB08231 [0,2,0,0,0,0|0,0,0]=2 102 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.2 B(\C=C\CCCCC)(O)O AB08058 [0,2,0,0,0,0|1,0,1]=4 104 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,2,0,0,0,0|0,0,0]=2 105 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,2,0,0,0,0|0,0,0]=2 106 B9R0.42 CNC(=O)C[C@H](C(=O)O)N AB18413 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.51 C[C@@](CCSC)(C(=O)O)N AB76492 [0,2,0,0,0,0|1,0,0]=3 108 B9R0.51 C[C@](CCSC)(C(=O)O)N AB76378 [0,2,0,0,0,0|1,0,0]=3 109 B9R0.56 C(CC(=O)O)CS(=O)(=O)N AB08121 [0,2,0,0,0,0|2,0,0]=4 110 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.3 C1CCNC(C1)O MB03551 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,1,0,0|1,0,1]=4 117 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,1,0,0|1,0,1]=4 118 B7R1.3 C1CNC(=O)CN1 PB23229 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 C1COC(=O)CN1 AB71646 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.3 C1COCC(=O)N1 PB29100 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.3 C1COCCC1=O PB24536 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.10 C1C(CC1=O)CBr PB27115 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.10 C1C(CC1=O)CCl PB28331 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.10 C1C(CC1=O)CN PB21511 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.10 C1C(CC1=O)CO PB17805 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.18 B(C1CCC1)(O)O AB29820 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.18 C1C(CN1)C(=O)N PB14800 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.18 C1C(CN1)C(=O)N PB22567 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.18 C1C(CN1)C(=O)O PB12129 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.18 C1C(CO1)C(=O)O PB18896 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.18 C1CC(C1)C(=N)N PB21224 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.18 C1CC(C1)[N+](=O)[O-] CB11721 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.18 C1CN(C1)C(=O)O AB16585 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.18 C1CNC1C(=O)N MB03936 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.18 C1CNC1C(=O)O PB12060 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [1,0,0,1,0,0|1,0,0]=3 141 B7R1.18 C1COC1C(=O)O PB26385 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.18 CC(C1CCC1)O CB10183 [1,0,0,1,0,0|1,0,1]=4 143 B7R1.20 C1CC1CC(=N)N AB49225 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.20 C1CC1CC(=O)O PB21648 [1,0,0,1,0,0|0,0,0]=2 145 B7R1.1 C1C=CCC1C=O AB76805 [1,0,0,1,0,0|0,0,2]=4 146 B7R1.1 C1CC(OC1)CI AB24846 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.1 C1CC(OC1)CN AB00408 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.1 C1CCC(C1)C=O AB02400 [1,0,0,1,0,0|0,0,0]=2 149 B7R1.1 C1CCC(C1)CBr AB50196 [1,0,0,1,0,0|1,0,1]=4 150 B7R1.1 C1CCC(C1)CI AB15507 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.1 C1CCC(C1)CN AB17884 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.1 C1CNCC1CO PB15896 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.1 C1CNCC1CO PB31387 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.1 C1CNC[C@@H]1CO PB12644 [1,0,0,1,0,0|1,0,1]=4 155 B7R1.1 C1CNC[C@@H]1CO PB19010 [1,0,0,1,0,0|1,0,1]=4 156 B7R1.1 C1CNC[C@H]1CO PB31350 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.1 C1CNC[C@H]1CO PB32765 [1,0,0,1,0,0|1,0,1]=4 158 B7R1.1 C1COCC1CO PB30586 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.1 C1COC[C@@H]1CO PB30186 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.1 C1COC[C@H]1CO PB34870 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.1 C1C[C@@H](NC1)CO PB21663 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.1 C1C[C@H](NC1)CO PB30520 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.1 CCC1CCCN1 AB12042 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.1 CCC1CCNC1 AB41905 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.1 CC[C@@H]1CCNC1 AB74297 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [1,0,0,1,0,0|1,0,1]=4 171 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [1,0,0,1,0,0|1,0,1]=4 172 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.6 C1C(CO1)CC=O PB14037 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.6 C1C(CO1)CCO PB15326 [1,0,0,1,0,0|1,0,1]=4 176 B7R1.6 C1CC(C1)CC=O AB49507 [1,0,0,1,0,0|0,0,0]=2 177 B7R1.6 C1CC(C1)CCN PB23748 [1,0,0,1,0,0|1,0,1]=4 178 B7R1.6 C1CC(C1)N=C=O AB55242 [1,0,0,1,0,0|1,0,1]=4 179 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,1,0,0|1,0,0]=3 180 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,1,0,1,0,0|1,0,0]=3 181 B9R1.13 C1CNCC1CC(=O)O PB14239 [0,1,0,1,0,0|0,0,0]=2 182 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [0,1,0,1,0,0|0,0,0]=2 183 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [0,1,0,1,0,0|0,0,0]=2 184 B9R1.13 C1COCC1CC(=O)O CB10890 [0,1,0,1,0,0|0,0,0]=2 185 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [0,1,0,1,0,0|0,0,0]=2 186 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [0,1,0,1,0,0|0,0,0]=2 187 B9R1.13 CC(=O)N[C@@H]1CCNC1 PB10078 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.41 C1CNC(=O)C1C(=O)O PB18154 [0,1,0,1,0,0|1,0,1]=4 189 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [0,1,0,1,0,0|1,0,0]=3 190 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [0,1,0,1,0,0|0,0,0]=2 191 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [0,1,0,1,0,0|0,0,0]=2 192 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [0,1,0,1,0,0|0,0,0]=2 193 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [0,1,0,1,0,0|0,0,0]=2 194 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [0,1,0,1,0,0|0,0,0]=2 195 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.53 C1C(CC1N)CC(=O)O PB36872 [0,1,0,1,0,0|0,0,0]=2 197 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N PB38036 [0,1,0,1,0,0|0,0,0]=2 198 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N PB38407 [0,1,0,1,0,0|0,0,0]=2 199 B9R1.53 CC(=O)NC1CC(C1)N PB34690 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.137 C1CC1C(CC(=O)O)N AB10167 [0,1,0,1,0,0|0,0,0]=2 201 B9R1.137 C1CC1[C@@H](CC(=O)O)N AB36095 [0,1,0,1,0,0|0,0,0]=2 202 B9R1.137 C1CC1[C@H](CC(=O)O)N AB23543 [0,1,0,1,0,0|0,0,0]=2 203 B9R1.171 CC1(COC1)CC(=O)O PB21034 [0,1,0,1,0,0|1,0,0]=3 204 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,1,0,1,0,0|1,0,0]=3 205 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,1,0,1,0,0|1,0,0]=3 208 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,1,0,1,0,0|1,0,0]=3 209 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [0,1,0,1,0,0|1,0,1]=4 211 B9R1.5 CN1CCNCCC1=O AB49613 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.11 C1CC(OC1)C(=O)NN AB11571 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.11 C1COCC1C(=O)NN PB34154 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.11 COC(=O)C1CCNC1 PB20842 [0,1,0,1,0,0|1,0,0]=3 215 B9R1.11 COC(=O)C1CCOC1 PB14439 [0,1,0,1,0,0|1,0,0]=3 216 B9R1.11 COC(=O)[C@@H]1CCCN1 AB16177 [0,1,0,1,0,0|1,0,0]=3 217 B9R1.11 COC(=O)[C@@H]1CCNC1 PB24127 [0,1,0,1,0,0|1,0,0]=3 218 B9R1.11 COC(=O)[C@@H]1CCOC1 PB21424 [0,1,0,1,0,0|1,0,0]=3 219 B9R1.11 COC(=O)[C@H]1CCNC1 PB24144 [0,1,0,1,0,0|1,0,0]=3 220 B9R1.11 COC(=O)[C@H]1CCOC1 PB21418 [0,1,0,1,0,0|1,0,0]=3 221 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.79 COC(=O)CC1CNC1 PB34937 [0,1,0,1,0,0|1,0,0]=3 223 B9R1.79 COC(=O)CC1COC1 PB11364 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.132 CN1C(CCC1=O)CO MB69102 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.6 B(C1CCCCC1)(O)O AB08478 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.6 B(C1CCOCC1)(O)O AB32598 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.6 C1CC(CNC1)C(=O)N PB19847 [0,1,0,1,0,0|1,0,0]=3 228 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,1,0,1,0,0|0,0,0]=2 229 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,1,0,1,0,0|0,0,0]=2 230 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,1,0,1,0,0|0,0,0]=2 232 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,1,0,1,0,0|0,0,0]=2 233 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.6 C1CNCCC1C(=N)N AB22053 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.6 C1CNCCC1C(=O)N PB25917 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.6 C1CNCCC1C(=O)O AB00566 [0,1,0,1,0,0|0,0,0]=2 237 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.6 C1COC(CN1)C(=O)O MB02947 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.6 C1COCC(N1)C(=O)O PB12912 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.6 C1COCCC1C(=N)N PB32880 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.6 C1COCCC1C(=O)O PB14093 [0,1,0,1,0,0|0,0,0]=2 244 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [0,1,0,1,0,0|1,0,0]=3 245 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.6 C1CO[C@@H](CN1)C(=O)O MB08517 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.6 C1CO[C@H](CN1)C(=O)O MB09173 [0,1,0,1,0,0|1,0,0]=3 248 B9R1.6 C1CSCCC1C(=O)O PB25232 [0,1,0,1,0,0|0,0,0]=2 249 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [0,1,0,1,0,0|1,0,0]=3 250 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,1,0,1,0,0|0,0,1]=3 252 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB11551 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB31846 [0,1,0,1,0,0|1,0,0]=3 254 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,1,0,1,0,0|0,0,0]=2 255 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,1,0,1,0,0|0,0,1]=3 256 B9R1.6 C1C[C@H](CNC1)C(=O)N PB24496 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.6 C1C[C@H](CNC1)C(=O)N PB31844 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,1,0,1,0,0|0,0,0]=2 259 B9R1.96 C1CN([C@@H]1C(=O)O)N=O MB03151 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.148 CC1(CCCNCC1)O PB34852 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.35 C1CC(=O)CC1C(=O)O PB17215 [0,1,0,1,0,0|0,0,1]=3 262 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O PB28806 [0,1,0,1,0,0|0,0,1]=3 263 B9R1.35 C1CC(=O)C[C@H]1C(=O)O PB15404 [0,1,0,1,0,0|0,0,1]=3 264 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,1,0,1,0,0|0,0,0]=2 265 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,1,0,1,0,0|0,0,0]=2 266 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,1,0,1,0,0|0,0,0]=2 267 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,1,0,1,0,0|0,0,0]=2 268 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O MB00931 [0,1,0,1,0,0|0,0,2]=4 269 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F AB12545 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O MB00510 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S PB10959 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O AB44957 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F AB12544 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O AB02585 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O AB00391 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PB26480 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.35 C1[C@H](NCC1=O)C(=O)O AB31269 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.35 C1[C@H](NCC1=O)C(=O)O CB11605 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,1,0,1,0,0|1,0,0]=3 283 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,1,0,1,0,0|0,0,0]=2 287 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,1,0,1,0,0|1,0,0]=3 288 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,1,0,1,0,0|0,0,0]=2 289 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.95 C1C(CC1C(=O)O)CN PB35806 [0,1,0,1,0,0|1,0,0]=3 296 B9R1.95 C1C(CC1C(=O)O)CO PB10714 [0,1,0,1,0,0|1,0,0]=3 297 B9R1.95 COC1CC(C1)C(=O)O PB16064 [0,1,0,1,0,0|1,0,0]=3 298 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O PB37294 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O PB16996 [0,1,0,1,0,0|1,0,0]=3 300 B9R1.110 C1C(CO1)C(C(=O)O)N PB11723 [0,1,0,1,0,0|1,0,0]=3 301 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N PB38610 [0,1,0,1,0,0|1,0,0]=3 302 B9R1.110 C1C(CO1)[C@H](C(=O)O)N PB36253 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.110 C1CC(C1)C(C(=O)O)N PB17607 [0,1,0,1,0,0|0,0,0]=2 304 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N PB16030 [0,1,0,1,0,0|0,0,0]=2 305 B9R1.110 C1CC(C1)[C@H](C(=O)O)N PB27915 [0,1,0,1,0,0|0,0,0]=2 306 B9R1.112 C1CC1C[C@@H](C(=O)O)N AB16716 [0,1,0,1,0,0|0,0,0]=2 307 B9R1.163 C1C=CCC1(C(=O)O)N AB14600 [0,1,0,1,0,0|0,0,2]=4 308 B9R1.163 C1CCC(C1)(C(=O)O)O CB10167 [0,1,0,1,0,0|0,0,0]=2 309 B9R1.163 C1CNCC1(C(=O)O)F PB31935 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.163 C1CNCC1(C(=O)O)N AB43590 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.163 C1COCC1(C(=O)O)N PB18879 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.163 CC1(CCCN1)C(=O)O AB08716 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.163 CC1(CCCO1)C(=O)O CB10966 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.163 CC1(CCOC1)C(=O)O PB17988 [0,1,0,1,0,0|1,0,0]=3 315 B9R1.163 C[C@@]1(CCCN1)C(=O)O PB18294 [0,1,0,1,0,0|1,0,0]=3 316 B9R1.163 C[C@]1(CCCN1)C(=O)O PB34076 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.10 C1CS(=O)(=O)CCC1N PB26461 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.10 CC1(CCC(CC1)N)O PB18103 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.10 C[C@]1(CC[C@@H](CC1)N)O PB22966 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.10 C[C@]1(CC[C@H](CC1)N)O PB13835 [0,1,0,1,0,0|1,0,1]=4 321 B9R1.19 C1CCC(C1)S(=O)(=O)Cl AB20732 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.114 C1CC(C1)CS(=O)(=O)Cl AB70722 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.115 C1CC1CCS(=O)(=O)Cl AB69797 [0,1,0,1,0,0|1,0,1]=4 324 B9R1.170 C1C(C1(F)F)CC(=O)O AB76278 [0,1,0,1,0,0|1,0,0]=3 325 B9R2.138 C1C(=O)CC12COC2 PB24493 [0,0,0,2,0,0|2,0,0]=4 326 B9R2.143 C1CC12CC2C(=O)O PB20104 [0,0,0,2,0,0|0,0,0]=2