0 B8R1.4 C1C(=O)COCC1=O PB14653 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 C1C(=O)CSCC1=O PB15832 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.4 C1CNC(=O)CC1N PB11631 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.4 CC1CC(CCN1)O PB10241 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.4 CC1CC(CCO1)O PB22789 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.4 CC1COCC(N1)C AB02607 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.4 CN1CCCC(C1)N PB12415 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.4 CN1CCCC(C1)O PB17042 [0,0,0,0,0,0|1,0,2]=3 16 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,0,0,0,0,0|1,0,2]=3 19 B8R1.4 CN1CCC[C@H](C1)N PB33333 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,0,0,0,0,0|1,0,2]=3 21 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,0,0,0,0,0|1,0,0]=1 22 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.4 C[C@@H]1CNC[C@@H](N1)C PB23510 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.4 C[C@@H]1CNC[C@H](N1)C AB48105 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.4 C[C@@H]1COC[C@@H](N1)C PB22631 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,0,0,0,0,0|1,0,2]=3 31 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,0,0,0,0,0|1,0,0]=1 32 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.4 C[C@H]1CNC[C@@H](N1)C AB48104 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.4 C[C@H]1COC[C@@H](N1)C MB13620 [0,0,0,0,0,0|3,0,1]=4 37 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,0,0,0,0,0|1,0,2]=3 38 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,0,0,0|1,0,0]=2 40 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 C1CC(CNC1)F PB33693 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.3 C1CC(CNC1)O PB27381 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.3 C1CC(CNC1)S PB34789 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 C1CC(COC1)Br MB04535 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 C1CC(COC1)N PB30901 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 C1CC(COC1)O PB32182 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 C1CCNC(C1)O MB03551 [1,0,0,0,0,0|1,0,2]=4 49 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.3 C1CNC(=O)CN1 PB23229 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,0,0,0|1,0,0]=2 53 B7R1.3 C1CNCCC1Cl AB14164 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.3 C1CNCCC1F AB13264 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.3 C1CNCCC1F PB24811 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.3 C1CNCCC1N AB11093 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.3 C1CNCCC1S PB26690 [1,0,0,0,0,0|1,1,1]=4 58 B7R1.3 C1COC(=O)CN1 AB71646 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 C1COC(CN1)O CB11808 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.3 C1COCC(=O)N1 PB29100 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 C1COCC(=S)N1 AB72718 [1,0,0,0,0,0|2,1,0]=4 62 B7R1.3 C1COCC=C1I AB69543 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.3 C1COCCC1=O PB24536 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 C1COCCC1Br PB24975 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.3 C1COCCC1Cl AB02848 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.3 C1COCCC1I PB13042 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.3 C1COCCC1N AB11128 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.3 C1COCCC1N PB27421 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.3 C1COCCC1O PB11583 [1,0,0,0,0,0|1,0,2]=4 70 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,0,0,0|1,0,0]=2 71 B7R1.3 C1CSCCC1N AB32569 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.3 C1C[C@@H](CNC1)F PB24269 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.3 C1C[C@@H](CNC1)N AB15031 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.3 C1C[C@@H](CNC1)O PB26394 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.3 C1C[C@H](CNC1)F PB38654 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.3 C1C[C@H](CNC1)N AB29962 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.3 C1C[C@H](CNC1)O PB20930 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.3 C1C[C@H](CNC1)O PB25197 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.3 CC1CNCCO1 PB23610 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.3 CC1COCCN1 AB49614 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.3 C[C@@H]1CNCCN1 AB04653 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.3 C[C@@H]1CNCCO1 PB14859 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.3 C[C@@H]1COCCN1 AB62216 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.3 C[C@H]1CNCCN1 AB04288 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.3 C[C@H]1CNCCN1 AB14223 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.3 C[C@H]1CNCCN1 AB63406 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.3 C[C@H]1CNCCO1 PB26597 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.3 C[C@H]1COCCN1 AB16412 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.2 CC[C@@H]1CN(CCN1)C AB70353 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 CN1CCCC(C1)CN PB34157 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.2 CN1CCC[C@@H](C1)CN PB16944 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.2 CN1CCC[C@H](C1)CN PB11507 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.34 CC1CC(CC(N1)C)O MB01439 [0,1,0,0,0,0|1,0,2]=4 100 B9R1.66 C1CC(CC(C1)(F)F)N MB10651 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.66 CC1CC(CCN1)(F)F PB34897 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.69 C1CC(=O)NC(=O)C1N PB14928 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.2 CCC(CC(=O)O)N AB01525 [0,0,1,0,0,0|2,0,0]=3 110 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,0,1,0,0,0|1,0,2]=4 111 B7R0.4 B(CCCCC)(O)O AB08098 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.4 CC(C)CCN=C=O AB54602 [0,0,1,0,0,0|1,0,1]=3 113 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [0,0,1,0,0,0|3,0,0]=4 114 B7R0.4 CN(C)CCC[Mg]Cl AB55603 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.4 CN(C)CCN=C=O AB74241 [0,0,1,0,0,0|2,0,1]=4 116 B7R0.7 CCOC(=O)C#CC AB01182 [0,0,1,0,0,0|1,0,2]=4 117 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,0,1,0,0,0|2,0,1]=4 118 B7R0.7 COCC(=O)CC#N AB63823 [0,0,1,0,0,0|2,0,1]=4 119 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O PB36484 [0,0,0,1,0,0|1,0,2]=4 120 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O PB35089 [0,0,0,1,0,0|1,0,2]=4 121 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 PB15700 [0,0,0,1,0,0|3,0,0]=4 122 B9R2.39 CN1C[C@H]2C[C@@H]1CN2 MB06040 [0,0,0,1,0,0|3,0,0]=4 123 B9R2.39 CN1C[C@H]2C[C@@H]1CN2 PB31717 [0,0,0,1,0,0|3,0,0]=4 124 B9R2.68 C1CN2CCNC1C2 PB36685 [0,0,0,1,0,0|3,0,0]=4 125 B9R2.68 C1CN2CCN[C@@H]1C2 PB33776 [0,0,0,1,0,0|3,0,0]=4 126 B9R2.68 C1CN2CCN[C@H]1C2 PB35788 [0,0,0,1,0,0|3,0,0]=4 127 B9R2.68 C1C[C@@H]2CC[C@H](C1)N2 PB15162 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.2 C1C(CNC1=O)N PB17844 [0,0,0,0,1,0|2,0,0]=3 129 B7R1.2 C1CC(CC1N)O PB13684 [0,0,0,0,1,0|1,0,2]=4 130 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,0,0,0,1,0|1,0,2]=4 131 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,0,0,0,1,0|1,0,2]=4 132 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,0,0,0,1,0|1,0,2]=4 133 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,0,0,0,1,0|2,0,0]=3 134 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,0,0,0,1,0|2,0,0]=3 135 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,0,0,0,1,0|2,0,0]=3 136 B7R1.2 CN1CCC(=O)C1 PB26542 [0,0,0,0,1,0|1,0,0]=2 137 B7R1.2 CN1CCC(C1)Br AB65769 [0,0,0,0,1,0|2,0,1]=4 138 B7R1.2 CN1CCC(C1)N PB22385 [0,0,0,0,1,0|2,0,1]=4 139 B7R1.2 CN1CCC(C1)O PB32059 [0,0,0,0,1,0|1,0,2]=4 140 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,0,0,0,1,0|2,0,1]=4 141 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,0,0,0,1,0|2,0,1]=4 142 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,0,0,0,1,0|1,0,2]=4 143 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,0,0,0,1,0|2,0,0]=3 144 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,0,0,0,1,0|2,0,0]=3 145 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,0,0,0,1,0|2,0,0]=3 146 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,0,0,0,1,0|2,0,0]=3 147 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,0,0,0,1,0|1,0,2]=4 148 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,0,0,0,1,0|1,0,2]=4 149 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,0,0,0,1,0|1,0,2]=4 150 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,0,0,0,1,0|1,0,2]=4 151 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,0,0,0,0,1|1,0,0]=2 152 B9R1.48 CN1CCCCC(C1)N MB07245 [0,0,0,0,0,1|2,0,1]=4 153 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,0,0,1|1,0,0]=2 154 B9R1.49 CN1CCCC(CC1)N PB18198 [0,0,0,0,0,1|2,0,1]=4 155 B9R1.49 CN1CCCC(CC1)O PB20925 [0,0,0,0,0,1|1,0,2]=4 156 B6R0.2 CC(C)CC(=N)N AB60903 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.2 CC(C)CC(=S)N AB52630 [1,0,1,0,0,0|1,1,0]=4 158 B6R0.4 CN(C)CCCBr AB52731 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.6 CCCNCCC AB02251 [1,0,1,0,0,0|1,0,0]=3 160 B6R1.1 C1CNCC=C1 PB15670 [2,0,0,0,0,0|1,0,1]=4 161 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,1,1,0,0,0|1,0,0]=3 162 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,1,1,0,0,0|2,0,0]=4 163 B8R0.5 CCOC(=O)CC(F)F AB71794 [0,1,1,0,0,0|2,0,0]=4 164 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,1,1,0,0,0|1,0,1]=4 165 B8R0.34 CC(=O)OC(C)(C)CO AB53345 [0,1,1,0,0,0|2,0,0]=4 166 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [0,1,1,0,0,0|2,0,0]=4 167 B8R1.2 C#CC1CCCNC1 PB26666 [1,1,0,0,0,0|1,0,1]=4 168 B8R1.2 C#CC1CCCOC1 PB11321 [1,1,0,0,0,0|1,0,1]=4 169 B8R1.2 C1CC(CNC1)C#N AB09048 [1,1,0,0,0,0|1,0,1]=4 170 B8R1.2 C1CC(CNC1)C#N PB31344 [1,1,0,0,0,0|1,0,1]=4 171 B8R1.2 C1CC(CNC1)CN AB17390 [1,1,0,0,0,0|1,0,0]=3 172 B8R1.2 C1CC(CNC1)CO PB21599 [1,1,0,0,0,0|1,0,0]=3 173 B8R1.2 C1CC(COC1)C=O AB16155 [1,1,0,0,0,0|1,0,1]=4 174 B8R1.2 C1CC(COC1)CBr PB14565 [1,1,0,0,0,0|1,0,0]=3 175 B8R1.2 C1CC(COC1)CN PB23481 [1,1,0,0,0,0|1,0,0]=3 176 B8R1.2 C1CC(COC1)CO PB12514 [1,1,0,0,0,0|1,0,0]=3 177 B8R1.2 C1CCC(=CC1)CBr PB28658 [1,1,0,0,0,0|1,0,1]=4 178 B8R1.2 C1CCN(CC1)CCl AB16725 [1,1,0,0,0,0|1,0,1]=4 179 B8R1.2 C1CCNC(C1)C=O AB52540 [1,1,0,0,0,0|1,0,1]=4 180 B8R1.2 C1CCOC(C1)C=O MB05934 [1,1,0,0,0,0|1,0,1]=4 181 B8R1.2 C1CCOC(C1)CBr MB00206 [1,1,0,0,0,0|1,0,1]=4 182 B8R1.2 C1CCOC(C1)CN AB28292 [1,1,0,0,0,0|1,0,1]=4 183 B8R1.2 C1CCOC(C1)CO AB00784 [1,1,0,0,0,0|1,0,1]=4 184 B8R1.2 C1CNCCC1C=O AB52543 [1,1,0,0,0,0|1,0,1]=4 185 B8R1.2 C1CNCCC1CBr AB52518 [1,1,0,0,0,0|1,0,1]=4 186 B8R1.2 C1CNCCC1CBr MB02967 [1,1,0,0,0,0|1,0,1]=4 187 B8R1.2 C1CNCCC1CF PB14869 [1,1,0,0,0,0|1,0,1]=4 188 B8R1.2 C1CNCCC1CO PB10118 [1,1,0,0,0,0|1,0,1]=4 189 B8R1.2 C1COC(CN1)CN PB15765 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.2 C1COC(CO1)CCl AB10617 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.2 C1COC(CO1)CN AB10620 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.2 C1COCC(N1)CO AB17137 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.2 C1COCCC1=NO AB55822 [1,1,0,0,0,0|1,0,1]=4 194 B8R1.2 C1COCCC1C=O AB14645 [1,1,0,0,0,0|1,0,1]=4 195 B8R1.2 C1COCCC1CBr PB20063 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.2 C1COCCC1CCl AB71513 [1,1,0,0,0,0|1,0,1]=4 197 B8R1.2 C1COCCC1CI PB24898 [1,1,0,0,0,0|1,0,1]=4 198 B8R1.2 C1COCCC1CN AB14272 [1,1,0,0,0,0|1,0,1]=4 199 B8R1.2 C1COCCC1CN PB27569 [1,1,0,0,0,0|1,0,1]=4 200 B8R1.2 C1COCCC1CO PB18487 [1,1,0,0,0,0|1,0,1]=4 201 B8R1.2 C1COC[C@@H](N1)CN AB71789 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.2 C1COC[C@@H](N1)CO AB29968 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.2 C1CSCCC1C=O AB14650 [1,1,0,0,0,0|1,0,1]=4 204 B8R1.2 C1CSCCC1CN PB35740 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.2 C1CSCCC1CO PB28111 [1,1,0,0,0,0|1,0,1]=4 206 B8R1.2 C1C[C@@H](CNC1)C#N PB37391 [1,1,0,0,0,0|1,0,1]=4 207 B8R1.2 C1C[C@H](CNC1)C#N PB37352 [1,1,0,0,0,0|1,0,1]=4 208 B8R1.2 CCC1CNCCN1 AB13949 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.2 CCC1CNCCO1 AB49621 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.2 CCC1COCCN1 AB49617 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.2 CNC1CCNCC1 PB15642 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.2 CNC1CCOCC1 PB29392 [1,1,0,0,0,0|1,0,1]=4 214 B8R1.2 COC1CCCNC1 PB14414 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.2 COC1CCNCC1 PB10390 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.2 COC1CCNCC1 PB34075 [1,1,0,0,0,0|1,0,1]=4 217 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [1,1,0,0,0,0|1,0,0]=3 218 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [1,1,0,0,0,0|1,0,0]=3 219 B8R1.2 CO[C@H]1CCCNC1 PB13690 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.2 CO[C@H]1CCCNC1 PB31836 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.2 CSC1CCNCC1 PB22682 [1,1,0,0,0,0|1,0,1]=4 222 B8R1.3 C1CC(=O)CCC1N AB26267 [1,1,0,0,0,0|0,0,0]=2 223 B8R1.3 C1CC(=O)NCC1N PB22229 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [1,1,0,0,0,0|0,0,2]=4 225 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [1,1,0,0,0,0|0,0,2]=4 226 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [1,1,0,0,0,0|0,0,2]=4 227 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [1,1,0,0,0,0|0,0,2]=4 228 B8R1.3 CC1CNC(=O)CN1 AB37204 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.3 CC1CNC(=O)CO1 AB71787 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.3 CC1CNC(CO1)C AB55657 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.3 CN1CCC(=CC1)I AB70135 [1,1,0,0,0,0|1,0,1]=4 232 B8R1.3 CN1CCC(CC1)Cl AB01976 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.3 CN1CCC(CC1)N PB32253 [1,1,0,0,0,0|1,0,1]=4 234 B8R1.3 CN1CCC(CC1)O PB18398 [1,1,0,0,0,0|1,0,1]=4 235 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.3 C[C@@H]1CN[C@@H](CN1)C AB48053 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.3 C[C@@H]1CN[C@H](CN1)C AB02818 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,1,0,0,0,0|0,0,0]=2 240 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [1,1,0,0,0,0|0,0,2]=4 241 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [1,1,0,0,0,0|0,0,2]=4 242 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [1,1,0,0,0,0|1,0,1]=4 243 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [1,1,0,0,0,0|0,0,2]=4 244 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [1,1,0,0,0,0|0,0,2]=4 245 B8R1.5 C1CNCC(C1=O)F PB20587 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.5 C1CNC[C@H]([C@@H]1F)F PB37354 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.5 C1CNC[C@H]([C@H]1F)F PB38218 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.5 C1COCC(C1=O)Br PB18064 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.5 C1COCC(C1=O)F PB28362 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [1,1,0,0,0,0|1,0,0]=3 258 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.5 CC1C(=O)NCCN1 AB04135 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.5 CC1C(=O)NCCO1 AB71412 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.5 CC1C(NCCN1)C AB36996 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.5 CC1C(OCCN1)C AB72725 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.5 CC1CCNCC1=O PB36769 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.5 CC1CCNCC1O PB36981 [1,1,0,0,0,0|1,0,1]=4 265 B8R1.5 CC1CNCCC1=O PB23474 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.5 CC1COCCC1=O PB26907 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.5 CN1CCNCC1=O PB24934 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [1,1,0,0,0,0|1,0,1]=4 270 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [1,1,0,0,0,0|1,0,1]=4 272 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.5 C[C@@H]1[C@H](NCCN1)C AB36998 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [1,1,0,0,0,0|1,0,0]=3 277 B8R1.5 C[C@H]1[C@@H](NCCN1)C AB36997 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.72 C1CC(CNC1)(F)F PB23351 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.72 C1CCS(=O)(=O)NC1 AB17207 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.72 C1CS(=O)(=O)CCN1 PB18693 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.72 C1CS(=O)(=O)CCN1 PB21955 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.72 CC1(CCCCN1)C AB58454 [1,1,0,0,0,0|1,0,1]=4 283 B8R1.72 CC1(CCCNC1)O PB32801 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.72 CC1(CCNCC1)C AB17027 [1,1,0,0,0,0|1,0,1]=4 285 B8R1.72 CC1(CCNCC1)C PB14098 [1,1,0,0,0,0|1,0,1]=4 286 B8R1.72 CC1(CCNCC1)N AB48443 [1,1,0,0,0,0|1,0,1]=4 287 B8R1.72 CC1(CCNCC1)O PB10877 [1,1,0,0,0,0|1,0,1]=4 288 B8R1.72 CC1(CCNCC1)O PB32903 [1,1,0,0,0,0|1,0,1]=4 289 B8R1.72 CC1(CCOCC1)N PB22590 [1,1,0,0,0,0|1,0,1]=4 290 B8R1.72 CC1(CNCCN1)C AB29948 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.72 CC1(CNCCO1)C AB51044 [1,1,0,0,0,0|2,0,0]=4 292 B8R1.72 CC1(COCCN1)C AB50978 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.1 C1C(CNC1=O)CN PB10686 [0,1,0,0,1,0|1,0,0]=3 294 B8R1.1 C1C(CNC1=O)CO PB26709 [0,1,0,0,1,0|1,0,0]=3 295 B8R1.1 C1CC(=O)NC1CN AB28123 [0,1,0,0,1,0|1,0,0]=3 296 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,1,0,0,1,0|1,0,0]=3 297 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,1,0,0,1,0|1,0,0]=3 298 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,1,0,0,1,0|1,0,0]=3 299 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,1,0,0,1,0|1,0,0]=3 300 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,1,0,0,1,0|1,0,0]=3 301 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,1,0,0,1,0|1,0,0]=3 302 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,1,0,0,1,0|1,0,0]=3 303 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,1,0,0,1,0|1,0,0]=3 304 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,1,0,0,1,0|1,0,0]=3 305 B8R1.1 CN1CCC(C1)CN PB23433 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.1 CN1CC[C@@H](C1)CN PB35492 [0,1,0,0,1,0|2,0,0]=4 307 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.1 CN1CC[C@H](C1)CN PB36038 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.1 CN1CC[C@H](C1)CO PB31861 [0,1,0,0,1,0|2,0,0]=4 310 B8R1.18 CN1CC(CC1=O)N PB22380 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.51 C1CC(CC1=O)(F)F AB71425 [0,1,0,0,1,0|1,0,0]=3 312 B8R1.51 C1CS(=O)(=O)CC1N PB12042 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.51 CC1(CCC(C1)N)O PB38754 [0,1,0,0,1,0|1,0,1]=4 314 B8R1.51 CC1(COC(=O)N1)C PB29297 [0,1,0,0,1,0|2,0,0]=4 315 B8R1.11 C1C(C(=O)CO1)C#N PB39082 [0,1,0,0,1,0|1,0,1]=4 316 B8R1.11 C1C(C(=O)CS1)C#N PB17090 [0,1,0,0,1,0|1,0,1]=4 317 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,1,0,0,1,0|0,0,2]=4 318 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,1,0,0,1,0|1,0,1]=4 319 B8R1.11 CN1CCC[C@@H]1CN PB21275 [0,1,0,0,1,0|2,0,0]=4 320 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,1,0,0,1,0|2,0,0]=4 321 B8R1.11 CN1CCC[C@H]1CN PB34570 [0,1,0,0,1,0|2,0,0]=4 322 B10R1.10 CCCC1COCC(=O)N1 AB72706 [0,2,0,0,0,0|2,0,0]=4 323 B10R1.10 CN1CCCC(C1)CCN PB33033 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.10 CN1CCCC(C1)CCO PB22676 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.10 CSCC1CNCC(=O)N1 AB37322 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.10 CSC[C@@H]1CNCC(=O)N1 AB37326 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.10 CSC[C@H]1CNCC(=O)N1 AB37323 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.113 C1CNC(=O)CC1C(=O)O PB11932 [0,2,0,0,0,0|1,0,1]=4 329 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O AB49077 [0,2,0,0,0,0|1,0,1]=4 330 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O AB16268 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.113 CC(C)C1CNCC(=O)N1 AB37306 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.113 CC(C)C1COCC(=O)N1 AB72696 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.113 CC(C)N1CCCC(=O)C1 AB39319 [0,2,0,0,0,0|1,0,0]=3 334 B10R1.113 CC(C)[C@@H]1CNCC(=O)N1 AB37312 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.113 CC(C)[C@H]1CNCC(=O)N1 AB37309 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.113 CN1CCCC(C1)C(=O)O PB20225 [0,2,0,0,0,0|1,0,1]=4 337 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,2,0,0,0,0|1,0,1]=4 338 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,2,0,0,0,0|1,0,1]=4 339 B10R1.171 CC1(CC(CCO1)C=O)C AB09953 [0,2,0,0,0,0|1,0,1]=4 340 B10R1.176 CN1CCC(CC1=O)CN PB16684 [0,2,0,0,0,0|1,0,0]=3 341 B10R1.176 CN1CCC(CC1=O)CO PB24273 [0,2,0,0,0,0|1,0,0]=3 342 B8R1.34 C1C(CN1)CC(=O)O PB17729 [0,0,1,1,0,0|2,0,0]=4 343 B8R1.34 C1C(CO1)CC(=O)O PB15407 [0,0,1,1,0,0|2,0,0]=4 344 B8R1.34 CC(=O)NC1CNC1 PB23547 [0,0,1,1,0,0|2,0,0]=4 345 B8R1.34 CC(=O)SC1CNC1 PB19657 [0,0,1,1,0,0|2,0,0]=4 346 B8R1.40 COC(=O)CC1CC1 PB20704 [0,0,1,1,0,0|1,0,0]=3 347 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [0,0,1,1,0,0|2,0,0]=4 348 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,0,1,1,0,0|1,0,0]=3 349 B8R1.7 C1CNCC1C(=O)N PB11736 [0,0,1,1,0,0|2,0,0]=4 350 B8R1.7 C1CNCC1C(=O)N PB32691 [0,0,1,1,0,0|2,0,0]=4 351 B8R1.7 C1CNCC1C(=O)O PB19915 [0,0,1,1,0,0|2,0,0]=4 352 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [0,0,1,1,0,0|2,0,0]=4 353 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [0,0,1,1,0,0|2,0,0]=4 354 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [0,0,1,1,0,0|2,0,0]=4 355 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [0,0,1,1,0,0|2,0,0]=4 356 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [0,0,1,1,0,0|2,0,0]=4 357 B8R1.7 C1COCC1C(=O)N PB20686 [0,0,1,1,0,0|2,0,0]=4 358 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [0,0,1,1,0,0|2,0,0]=4 359 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [0,0,1,1,0,0|2,0,0]=4 360 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [0,0,1,1,0,0|2,0,0]=4 361 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,0,1,1,0,0|2,0,0]=4 362 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [0,0,1,1,0,0|2,0,0]=4 363 B8R1.7 CC(C)[C@@H]1CCCN1 AB58448 [0,0,1,1,0,0|1,0,1]=4 364 B8R1.7 CC(C)[C@@H]1CCNC1 AB66437 [0,0,1,1,0,0|2,0,0]=4 365 B8R1.7 CC(C)[C@H]1CCNC1 AB66440 [0,0,1,1,0,0|2,0,0]=4 366 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,1,1,0,0|1,0,0]=3 367 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,1,1,0,0|1,0,0]=3 368 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,1,1,0,0|2,0,0]=4 369 B8R1.22 C1CNCCNC1=O AB07054 [0,0,1,1,0,0|2,0,0]=4 370 B8R1.8 C1CC(OC1)CC=O AB76318 [0,0,1,1,0,0|1,0,0]=3 371 B8R1.8 C1CCC(C1)CCN AB02350 [0,0,1,1,0,0|1,0,1]=4 372 B8R1.8 C1CCC(C1)CON CB11464 [0,0,1,1,0,0|2,0,0]=4 373 B8R1.8 C1CCC(C1)N=C=O AB10807 [0,0,1,1,0,0|1,0,1]=4 374 B8R1.8 C1COCC1CC=O AB75447 [0,0,1,1,0,0|1,0,0]=3 375 B8R1.8 CCCC1CCCN1 AB12028 [0,0,1,1,0,0|1,0,1]=4 376 B8R1.37 C1CC1C(=O)CC#N PB26127 [0,0,1,1,0,0|1,0,1]=4 377 B8R2.18 C1C2C1CC(C2)N PB21479 [1,0,0,1,0,0|1,0,1]=4 378 B8R2.25 C1CNCC2C1C2 PB26945 [1,0,0,1,0,0|1,0,0]=3 379 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [1,0,0,1,0,0|1,0,0]=3 380 B8R2.34 C1[C@@H]2CN[C@H]1CN2 AB62663 [1,0,0,1,0,0|2,0,0]=4 381 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [1,0,0,1,0,0|2,0,0]=4 382 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [1,0,0,1,0,0|2,0,0]=4 383 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [1,0,0,1,0,0|2,0,0]=4 384 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [1,0,0,1,0,0|2,0,0]=4 385 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [1,0,0,1,0,0|2,0,0]=4 386 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [1,0,0,1,0,0|1,0,1]=4 387 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [1,0,0,1,0,0|1,0,1]=4 388 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [0,0,0,1,0,1|1,0,0]=3 389 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 PB18614 [0,0,0,1,0,1|1,0,0]=3 390 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,1,0,1|1,0,0]=3 391 B10R2.62 C1CC2C(CC1CN2)O PB37269 [0,1,0,1,0,0|0,0,2]=4 392 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [0,1,0,1,0,0|1,0,0]=3 393 B10R2.319 CN1CC2CC(C1)C2N PB30362 [0,1,0,1,0,0|2,0,0]=4 394 B10R2.534 C1CC12CNCC(=O)N2 PB25711 [0,1,0,1,0,0|2,0,0]=4 395 B10R2.259 C1CC(=O)C2C1C2(F)F AB85461 [0,1,0,1,0,0|1,0,0]=3 396 B6R0.3 CC(C)C(=O)NN PB30560 [0,0,1,0,1,0|2,0,0]=4 397 B6R0.3 CC(CN)C(=O)O AB00933 [0,0,1,0,1,0|2,0,0]=4 398 B6R0.3 CCC(C(=O)O)N AB00928 [0,0,1,0,1,0|2,0,0]=4 399 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,0,1,0,1,0|2,0,0]=4 400 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [0,0,1,0,1,0|2,0,0]=4 401 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,0,1,0,1,0|2,0,0]=4 402 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,0,1,0,1,0|2,0,0]=4 403 B6R1.2 C1C=CCC1N CB10532 [1,0,0,0,1,0|1,0,1]=4 404 B6R1.2 C1CNCC1=O PB21807 [1,0,0,0,1,0|1,0,0]=3 405 B6R1.2 C1CNCC1F AB27153 [1,0,0,0,1,0|2,0,0]=4 406 B6R1.2 C1CNCC1F PB27633 [1,0,0,0,1,0|2,0,0]=4 407 B6R1.2 C1CNCC1O PB24775 [1,0,0,0,1,0|2,0,0]=4 408 B6R1.2 C1CNC[C@@H]1F AB27158 [1,0,0,0,1,0|2,0,0]=4 409 B6R1.2 C1CNC[C@@H]1F PB23386 [1,0,0,0,1,0|2,0,0]=4 410 B6R1.2 C1CNC[C@@H]1N AB02820 [1,0,0,0,1,0|2,0,0]=4 411 B6R1.2 C1CNC[C@@H]1O PB17129 [1,0,0,0,1,0|2,0,0]=4 412 B6R1.2 C1CNC[C@@H]1O PB18456 [1,0,0,0,1,0|2,0,0]=4 413 B6R1.2 C1CNC[C@H]1F AB27154 [1,0,0,0,1,0|2,0,0]=4 414 B6R1.2 C1CNC[C@H]1F PB20102 [1,0,0,0,1,0|2,0,0]=4 415 B6R1.2 C1CNC[C@H]1N AB02823 [1,0,0,0,1,0|2,0,0]=4 416 B6R1.2 C1CNC[C@H]1O PB30638 [1,0,0,0,1,0|2,0,0]=4 417 B6R1.2 C1CNC[C@H]1O PB32171 [1,0,0,0,1,0|2,0,0]=4 418 B6R1.2 C1COCC1=O PB17440 [1,0,0,0,1,0|1,0,0]=3 419 B6R1.2 C1COCC1Br PB20333 [1,0,0,0,1,0|2,0,0]=4 420 B6R1.2 C1COCC1I PB14773 [1,0,0,0,1,0|2,0,0]=4 421 B6R1.2 C1COCC1N PB27801 [1,0,0,0,1,0|2,0,0]=4 422 B6R1.2 C1COCC1O PB24525 [1,0,0,0,1,0|2,0,0]=4 423 B6R1.2 C1COC[C@@H]1I PB34863 [1,0,0,0,1,0|2,0,0]=4 424 B6R1.2 C1COC[C@@H]1N PB10514 [1,0,0,0,1,0|2,0,0]=4 425 B6R1.2 C1COC[C@@H]1O PB17096 [1,0,0,0,1,0|2,0,0]=4 426 B6R1.2 C1COC[C@H]1I PB22839 [1,0,0,0,1,0|2,0,0]=4 427 B6R1.2 C1COC[C@H]1N PB18852 [1,0,0,0,1,0|2,0,0]=4 428 B6R1.2 C1COC[C@H]1O PB25950 [1,0,0,0,1,0|2,0,0]=4 429 B6R1.2 C1CONC1=O MB10654 [1,0,0,0,1,0|2,0,0]=4 430 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,0,1,0|1,0,1]=4 431 B6R1.2 CC1CCCN1 AB44503 [1,0,0,0,1,0|1,0,0]=3 432 B6R1.2 CC1CCNC1 AB41901 [1,0,0,0,1,0|1,0,0]=3 433 B6R1.2 C[C@@H]1CCCN1 AB29488 [1,0,0,0,1,0|1,0,0]=3 434 B6R1.2 C[C@@H]1CCCN1 AB42774 [1,0,0,0,1,0|1,0,0]=3 435 B6R1.2 C[C@@H]1CCNC1 AB29518 [1,0,0,0,1,0|1,0,0]=3 436 B6R1.2 C[C@H]1CCCN1 AB29489 [1,0,0,0,1,0|1,0,0]=3 437 B6R1.2 C[C@H]1CCNC1 AB29522 [1,0,0,0,1,0|1,0,0]=3 438 B6R1.5 C1C(CC1=O)Br PB30412 [0,0,0,0,2,0|1,0,0]=3 439 B6R1.5 C1C(CC1=O)F PB36975 [0,0,0,0,2,0|1,0,0]=3 440 B6R1.5 C1C(CC1=O)N PB20766 [0,0,0,0,2,0|1,0,0]=3