0 B7R1.1 BrCC1CCCC1 DY20145 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.1 BrCC1OCCO1 NO21401 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.1 C#CC1CCCC1 DY822738 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.1 C#CC1CCCO1 DY586043 [0,0,0,0,0,0|1,0,1]=2 4 B7R1.1 C#CC1CCOC1 DY103679 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 CCC1CCCN1 DY738230 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.1 CCC1CCNC1 DY585732 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 CNC1CCCC1 DY757231 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CNC1CCOC1 DY579885 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 COC1=NCCC1 NO10423 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 COC1CCCC1 DY459258 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 COC1CCNC1 NO22350 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 FC[C@@H]1CCCN1 DY100102 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.1 N#C[C@H]1CCNC1 DY508184 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 NCC1CCCC1 NO14873 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.1 NCC1CCCN1 NO15469 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.1 NC[C@H]1CCCN1 NO15745 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.1 NNC1CCCC1 DY543699 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.1 O=CC1=CCCC1 NO12865 [0,0,0,0,0,0|1,0,3]=4 24 B7R1.1 O=CC1CCCC1 DY21048 [0,0,0,0,0,0|1,0,2]=3 25 B7R1.1 O=C[C@@H]1CCCN1 DY626191 [0,0,0,0,0,0|1,0,2]=3 26 B7R1.1 OCC1=CC=NO1 NO15343 [0,0,0,0,0,0|1,0,3]=4 27 B7R1.1 OCC1CC=CC1 NO20734 [0,0,0,0,0,0|1,0,2]=3 28 B7R1.1 OCC1CCCC1 NO11185 [0,0,0,0,0,0|1,0,0]=1 29 B7R1.1 OCC1CCCN1 DY556821 [0,0,0,0,0,0|1,0,0]=1 30 B7R1.1 OCC1CCCN1 DY668415 [0,0,0,0,0,0|1,0,0]=1 31 B7R1.1 OCC1CCCO1 DY20392 [0,0,0,0,0,0|0,0,0]=0 32 B7R1.1 OCC1CCNC1 NO11284 [0,0,0,0,0,0|2,0,0]=2 33 B7R1.1 OCC1CCNC1 NO16764 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.1 OCC1CCNC1 NO18341 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.1 OC[C@@H]1CCCN1 NO22640 [0,0,0,0,0,0|1,0,0]=1 36 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.1 OC[C@H]1CCCN1 NO17003 [0,0,0,0,0,0|1,0,0]=1 38 B7R1.1 OC[C@H]1CCCO1 DY542355 [0,0,0,0,0,0|0,0,0]=0 39 B6R1.2 BrC1CCNC1 NO15742 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 CC1=NCCC1 NO21664 [1,0,0,0,0,0|1,0,1]=3 41 B6R1.2 CC1CCCN1 NO21699 [1,0,0,0,0,0|1,0,0]=2 42 B6R1.2 CC1CCCN1 NO21700 [1,0,0,0,0,0|1,0,0]=2 43 B6R1.2 CC1CCCO1 DY20580 [1,0,0,0,0,0|0,0,0]=1 44 B6R1.2 CC1CCNC1 DY667237 [1,0,0,0,0,0|2,0,0]=3 45 B6R1.2 C[C@@H]1CCCN1 NO18299 [1,0,0,0,0,0|1,0,0]=2 46 B6R1.2 C[C@H]1CCCN1 NO18800 [1,0,0,0,0,0|1,0,0]=2 47 B6R1.2 C[C@H]1CCCN1 NO19735 [1,0,0,0,0,0|1,0,0]=2 48 B6R1.2 FC1CCNC1 NO12894 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 F[C@H]1CCNC1 NO14870 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 N=C1CCCS1 DY556065 [1,0,0,0,0,0|1,1,1]=4 51 B6R1.2 NC1=NCCC1 NO19310 [1,0,0,0,0,0|2,0,1]=4 52 B6R1.2 NC1CCNC1 DY572169 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 NC1CCOC1 NO12010 [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 NN1CCCC1 DY564555 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 N[C@@H]1CCOC1 DY623409 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 N[C@@H]1CCOC1 NO13003 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 N[C@H]1CCNC1 DY508670 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 N[C@H]1CCOC1 DY626689 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 N[C@H]1CCOC1 NO20366 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 O=C1CCCC1 DY21085 [1,0,0,0,0,0|1,0,2]=4 61 B6R1.2 OC1CC=CC1 DY10342 [1,0,0,0,0,0|1,0,2]=4 62 B6R1.2 O[C@@H]1CCNC1 NO16635 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 O[C@@H]1CCNC1 NO16650 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.2 O[C@@H]1CCOC1 NO20284 [1,0,0,0,0,0|2,0,0]=3 65 B6R1.2 O[C@@H]1CNOC1 DY549543 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 O[C@H]1CCNC1 NO21757 [1,0,0,0,0,0|2,0,0]=3 67 B6R1.2 S=C1NCCO1 DY561801 [1,0,0,0,0,0|1,1,1]=4 68 B6R1.2 SC1CCOC1 DY789441 [1,0,0,0,0,0|2,1,0]=4 69 B8R1.1 CCN1CC[C@@H](N)C1 DY516273 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.1 CCN1CC[C@@H](N)C1 DY570393 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.1 CN1CC[C@H](CN)C1 DY104144 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.1 C[C@@H]1CN[C@H](CO)C1 DY620034 [0,1,0,0,0,0|1,0,0]=2 73 B8R1.1 NCC1CNC(=O)O1 DY529719 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 DY582081 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.1 O=C1C=C[C@@H](CO)O1 DY20390 [0,1,0,0,0,0|0,0,3]=4 76 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,1,0,0,0,0|1,0,1]=3 77 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,1,0,0,0,0|1,0,1]=3 78 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,1,0,0,0,0|1,0,1]=3 79 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,1,0,0,0,0|1,0,1]=3 80 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.1 OCC1CC(O)CO1 DY759500 [0,1,0,0,0,0|0,0,0]=1 82 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 NO20184 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.1 OC[C@H]1C[C@@H](O)CN1 DY664628 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,1,0,0,0,0|1,0,2]=4 85 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,1,0,0,0,0|1,0,2]=4 86 B8R1.7 CC(=O)C1CCCO1 DY586599 [0,1,0,0,0,0|0,0,2]=3 87 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [0,1,0,0,0,0|1,0,2]=4 88 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [0,1,0,0,0,0|0,0,2]=3 89 B8R1.7 CC(N)C1CCCO1 DY580113 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.7 CC(O)C1CCCC1 DY757207 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.7 FC(F)[C@H]1CCCN1 DY621939 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.7 N=C(N)C1CCCC1 DY585765 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.7 NC(=O)C1CCCC1 DY794313 [0,1,0,0,0,0|1,0,2]=4 94 B8R1.7 NC(=O)[C@@H]1CCCN1 NO22629 [0,1,0,0,0,0|1,0,2]=4 95 B8R1.7 NC(=O)[C@H]1CCCN1 DY438122 [0,1,0,0,0,0|1,0,2]=4 96 B8R1.7 O=C(O)C1=NCCC1 DY584439 [0,1,0,0,0,0|1,0,2]=4 97 B8R1.7 O=C(O)C1C=CCO1 DY788385 [0,1,0,0,0,0|0,0,3]=4 98 B8R1.7 O=C(O)C1CCCN1 NO18287 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.7 O=C(O)C1CCCO1 DY20393 [0,1,0,0,0,0|0,0,1]=2 100 B8R1.7 O=C(O)C1CCNC1 NO18444 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.7 O=C(O)C1CCNC1 NO19637 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.7 O=C(O)C1CCSS1 DY566085 [0,1,0,0,0,0|1,1,1]=4 104 B8R1.7 O=C(O)C1NCCS1 NO16514 [0,1,0,0,0,0|1,1,1]=4 105 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [0,1,0,0,0,0|0,0,1]=2 106 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.7 O=C(O)[C@@H]1CSCN1 DY20446 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [0,1,0,0,0,0|1,0,1]=3 109 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [0,1,0,0,0,0|0,0,1]=2 110 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.7 O=C(O)[C@H]1CSCN1 NO15627 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.7 OB(O)C1=CCCC1 NO11186 [0,1,0,0,0,0|2,0,1]=4 113 B8R1.8 BrCCC1OCCO1 NO18251 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.8 CNCC1CCOC1 DY537651 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.8 CNCC1CCOC1 DY568737 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.8 COCC1CCCN1 DY571095 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.8 COC[C@@H]1CCCN1 NO20310 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.8 COC[C@H]1CCNC1 DY522807 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.8 CSCC1CCNC1 DY585729 [0,1,0,0,0,0|2,1,0]=4 120 B8R1.8 ClCCN1CCCC1 DY665330 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.8 ClCCN1CCCC1 DY738470 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.8 ClCCN1CCCC1 NO15769 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.8 N#CCC1CCCO1 DY759470 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.8 NCCC1OCCO1 DY758978 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.8 OCCC1CCNC1 DY666359 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.11 CN1CCCC1CO NO14186 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.11 CN1CCC[C@H]1CCl DY664952 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.11 CN1CCC[C@H]1CO NO22816 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.11 C[C@@H]1NCC[C@@H]1CO DY664706 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.11 N#CC1CCCC1=O NO20047 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.11 N#C[C@@H]1CCC[C@@H]1N DY104396 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.11 NC[C@H]1COC[C@H]1O DY529311 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.11 NN1CCC[C@H]1CO DY623433 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.52 CC1(CBr)CCOC1 DY104228 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.52 CC1(CN)CCCC1 DY585763 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.52 CC1(CN)CCNC1 DY529341 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.52 CC1(CN)CCOC1 DY103499 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.52 CC1(CO)CCCO1 DY585353 [0,1,0,0,0,0|0,0,0]=1 139 B8R1.52 CCC1(C)CCNC1 DY550311 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.52 CCC1(C)CCNC1 DY585216 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.52 CCC1(N)CCCC1 DY603592 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.52 NC1(CO)CCOC1 DY103469 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.52 NCC1(F)CCCC1 DY584015 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.52 NCC1(O)CCCC1 NO15390 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.52 OC1(CF)CCNC1 DY586652 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.1 C=CC(O)CCN DY787899 [0,0,1,0,0,0|2,0,1]=4 147 B6R0.1 CC(CN)CCN DY791871 [0,0,1,0,0,0|3,0,0]=4 148 B6R0.1 CCCC(C)CBr DY112368 [0,0,1,0,0,0|2,0,0]=3 149 B6R0.1 CCCC(O)CO NO20495 [0,0,1,0,0,0|0,0,0]=1 150 B6R0.1 CCOC(=O)CC DY460554 [0,0,1,0,0,0|2,0,1]=4 151 B6R0.1 CCOC(=O)CN DY700831 [0,0,1,0,0,0|2,0,1]=4 152 B6R0.1 CCOC(=O)CN NO15347 [0,0,1,0,0,0|2,0,1]=4 153 B6R0.1 CCOC(=O)CO NO11386 [0,0,1,0,0,0|1,0,1]=3 154 B6R0.1 N#CCC(O)CCl DY504207 [0,0,1,0,0,0|2,0,1]=4 155 B6R0.1 N#CC[C@H](O)CCl NO22599 [0,0,1,0,0,0|2,0,1]=4 156 B6R0.1 NCCC(O)CO DY608108 [0,0,1,0,0,0|1,0,0]=2 157 B6R0.1 OC(CBr)CCBr DY740743 [0,0,1,0,0,0|2,0,0]=3 158 B6R0.6 BrCCNCCBr NO11032 [0,0,1,0,0,0|3,0,0]=4 159 B6R0.6 C#CCOCCO DY457828 [0,0,1,0,0,0|0,0,2]=3 160 B6R0.6 C=CCCCCCl DY427568 [0,0,1,0,0,0|2,0,1]=4 161 B6R0.6 C=CCCCCO NO10397 [0,0,1,0,0,0|1,0,1]=3 162 B6R0.6 CC#CCCCO DY580533 [0,0,1,0,0,0|1,0,2]=4 163 B6R0.6 CCCCSCC DY740893 [0,0,1,0,0,0|3,0,0]=4 164 B6R0.6 CCCOCCO DY740785 [0,0,1,0,0,0|0,0,0]=1 165 B6R0.6 CNCCCCBr DY741283 [0,0,1,0,0,0|3,0,0]=4 166 B6R0.6 CNCCCCO DY554133 [0,0,1,0,0,0|2,0,0]=3 167 B6R0.6 COCCCCBr NO22933 [0,0,1,0,0,0|3,0,0]=4 168 B6R0.6 COCCCCO DY741295 [0,0,1,0,0,0|2,0,0]=3 169 B6R0.6 ClCCCCCBr DY559653 [0,0,1,0,0,0|2,0,0]=3 170 B6R0.6 ClCCNCCCl NO16038 [0,0,1,0,0,0|3,0,0]=4 171 B6R0.6 FCCCCCBr NO14708 [0,0,1,0,0,0|2,0,0]=3 172 B6R0.6 FCCCCCF DY822300 [0,0,1,0,0,0|2,0,0]=3 173 B6R0.6 N#CCCCCCl NO10359 [0,0,1,0,0,0|2,0,1]=4 174 B6R0.6 NCCCCCN NO19074 [0,0,1,0,0,0|2,0,0]=3 175 B6R0.6 NCCNCCN DY740695 [0,0,1,0,0,0|3,0,0]=4 176 B6R0.6 NCCNCCO DY506670 [0,0,1,0,0,0|2,0,0]=3 177 B6R0.6 O=CCCCCBr DY510224 [0,0,1,0,0,0|1,0,2]=4 178 B6R0.6 OCCCCCCl NO14778 [0,0,1,0,0,0|1,0,0]=2 179 B6R0.6 OCCCCCF DY822292 [0,0,1,0,0,0|1,0,0]=2 180 B6R0.6 OCCCCCO NO20549 [0,0,1,0,0,0|0,0,0]=1 181 B6R0.6 OCCNCCCl DY544797 [0,0,1,0,0,0|2,0,0]=3 182 B6R0.9 C=CC(CC)CO DY822489 [0,0,1,0,0,0|1,0,1]=3 183 B6R0.9 CCC(CN)OC DY610294 [0,0,1,0,0,0|1,0,0]=2 184 B6R0.9 CC[O+](CC)CC DY794781 [0,0,1,0,0,0|3,0,0]=4 185 B6R0.9 COC(C=O)OC DY822359 [0,0,1,0,0,0|1,0,2]=4 186 B8R2.11 OC1C2CNCC12 DY686011 [0,0,0,1,0,0|2,0,0]=3 187 B8R2.11 OC1C2CNCC12 DY738446 [0,0,0,1,0,0|2,0,0]=3 188 B8R2.34 C1=CC2CC1CN2 DY566295 [0,0,0,1,0,0|2,0,1]=4 189 B8R2.34 C1=CC2CCC1C2 NO11805 [0,0,0,1,0,0|2,0,1]=4 190 B8R2.34 C1CC2CCC1C2 DY753433 [0,0,0,1,0,0|2,0,0]=3 191 B8R2.34 C1CC2CCC1N2 NO10780 [0,0,0,1,0,0|2,0,0]=3 192 B8R2.34 C1C[C@H]2CC1CN2 DY620286 [0,0,0,1,0,0|2,0,0]=3 193 B8R2.34 C1NC2CNC1C2 DY566511 [0,0,0,1,0,0|2,0,0]=3 194 B8R2.34 C1NC2CNC1C2 DY685187 [0,0,0,1,0,0|2,0,0]=3 195 B8R2.34 C1O[C@@H]2CN[C@H]1C2 NO12565 [0,0,0,1,0,0|1,0,0]=2 196 B8R2.34 C1O[C@H]2CN[C@@H]1C2 DY103903 [0,0,0,1,0,0|1,0,0]=2 197 B8R2.55 C1CC2(CC2)CN1 DY534537 [0,0,0,1,0,0|3,0,0]=4 198 B6R1.6 BrCC1CCC1 DY10470 [0,0,0,0,1,0|1,0,0]=2 199 B6R1.6 C=CC1CNC1 DY586611 [0,0,0,0,1,0|2,0,1]=4 200 B6R1.6 COC1CNC1 NO17370 [0,0,0,0,1,0|3,0,0]=4 201 B6R1.6 N#CC1CNC1 NO10942 [0,0,0,0,1,0|2,0,1]=4 202 B6R1.6 NCC1CCC1 DY554907 [0,0,0,0,1,0|1,0,0]=2 203 B6R1.6 NCC1CCC1 NO11178 [0,0,0,0,1,0|1,0,0]=2 204 B6R1.6 NCC1CCS1 DY585795 [0,0,0,0,1,0|1,1,0]=3 205 B6R1.6 NCC1CNC1 DY508838 [0,0,0,0,1,0|2,0,0]=3 206 B6R1.6 NCC1COC1 DY10517 [0,0,0,0,1,0|2,0,0]=3 207 B6R1.6 NNC1CCC1 DY527943 [0,0,0,0,1,0|2,0,0]=3 208 B6R1.6 OCC1CCO1 NO15009 [0,0,0,0,1,0|0,0,0]=1 209 B6R1.6 OCC1CNC1 NO12891 [0,0,0,0,1,0|1,0,0]=2 210 B6R1.6 OCC1COC1 NO14670 [0,0,0,0,1,0|1,0,0]=2 211 B6R1.6 OC[C@@H]1CCN1 NO15230 [0,0,0,0,1,0|1,0,0]=2 212 B8R1.2 BrCC1CCCCC1 NO19887 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.2 BrCC1CCNCC1 DY586644 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.2 BrCC1CCOCC1 DY514587 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.2 BrC[C@@H]1COCCO1 DY585231 [0,0,0,0,0,1|1,0,0]=2 216 B8R1.2 Br[Zn]C1CCCCC1 DY121343 [0,0,0,0,0,1|3,0,0]=4 217 B8R1.2 C#CC1CCCOC1 DY104582 [0,0,0,0,0,1|1,0,1]=3 218 B8R1.2 CCC1CCNCC1 DY602027 [0,0,0,0,0,1|2,0,0]=3 219 B8R1.2 CCC1CNCCO1 DY731791 [0,0,0,0,0,1|1,0,0]=2 220 B8R1.2 CCN1CCNCC1 NO20680 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.2 CC[C@@H]1CCCCN1 DY622095 [0,0,0,0,0,1|2,0,0]=3 222 B8R1.2 CC[C@@H]1CNCCO1 DY444035 [0,0,0,0,0,1|1,0,0]=2 223 B8R1.2 CC[C@@H]1COCCN1 DY20812 [0,0,0,0,0,1|2,0,0]=3 224 B8R1.2 CC[C@H]1CCCCN1 DY624979 [0,0,0,0,0,1|2,0,0]=3 225 B8R1.2 CNC1CCC=CO1 DY795717 [0,0,0,0,0,1|2,0,1]=4 226 B8R1.2 CNC1CCNCC1 DY512505 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.2 CNC1CCNCC1 DY641666 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.2 CNC1CCOCC1 NO15192 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.2 COC1CCC=CO1 DY822724 [0,0,0,0,0,1|2,0,1]=4 230 B8R1.2 ClCC1CCCCC1 DY788085 [0,0,0,0,0,1|2,0,0]=3 231 B8R1.2 ClCC1CCCOC1 DY585697 [0,0,0,0,0,1|1,0,0]=2 232 B8R1.2 FC[C@@H]1CCCCN1 DY586647 [0,0,0,0,0,1|2,0,0]=3 233 B8R1.2 ICC1CCCCN1 DY635594 [0,0,0,0,0,1|2,0,0]=3 234 B8R1.2 N#CC1CCOCC1 NO12562 [0,0,0,0,0,1|2,0,1]=4 235 B8R1.2 N#CC1CNCCN1 NO12950 [0,0,0,0,0,1|2,0,1]=4 236 B8R1.2 N#CC1CNCCO1 DY442480 [0,0,0,0,0,1|1,0,1]=3 237 B8R1.2 N#CC1COCCN1 DY732613 [0,0,0,0,0,1|2,0,1]=4 238 B8R1.2 N#C[C@H]1CNCCO1 DY732649 [0,0,0,0,0,1|1,0,1]=3 239 B8R1.2 N#C[C@H]1COCCN1 DY625945 [0,0,0,0,0,1|2,0,1]=4 240 B8R1.2 NCC1CCCCC1 DY20908 [0,0,0,0,0,1|2,0,0]=3 241 B8R1.2 NCC1CCCNC1 DY568713 [0,0,0,0,0,1|2,0,0]=3 242 B8R1.2 NCC1CCCNC1 DY641787 [0,0,0,0,0,1|2,0,0]=3 243 B8R1.2 NCC1CCCOC1 NO18439 [0,0,0,0,0,1|1,0,0]=2 244 B8R1.2 NCC1CCOCC1 NO18584 [0,0,0,0,0,1|2,0,0]=3 245 B8R1.2 NCC1CCSCC1 DY102976 [0,0,0,0,0,1|2,0,0]=3 246 B8R1.2 NCC1CNCCN1 DY517005 [0,0,0,0,0,1|2,0,0]=3 247 B8R1.2 NCC1COCCN1 DY580905 [0,0,0,0,0,1|2,0,0]=3 248 B8R1.2 NC[C@H]1CCCOC1 DY105501 [0,0,0,0,0,1|1,0,0]=2 249 B8R1.2 NNC1CCCCC1 DY822741 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.2 NNC1CCNCC1 DY638690 [0,0,0,0,0,1|3,0,0]=4 251 B8R1.2 NNC1CCOCC1 NO13041 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.2 NNC1CCOCC1 NO20368 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.2 NOC1CCCCO1 NO17026 [0,0,0,0,0,1|2,0,0]=3 254 B8R1.2 O=CC1CCCCC1 DY20143 [0,0,0,0,0,1|1,0,2]=4 255 B8R1.2 O=CC1CCCOC1 DY442323 [0,0,0,0,0,1|0,0,2]=3 256 B8R1.2 O=CC1CCCSC1 DY563535 [0,0,0,0,0,1|0,1,2]=4 257 B8R1.2 O=C[C@@H]1CCCOC1 DY585694 [0,0,0,0,0,1|0,0,2]=3 258 B8R1.2 O=C[C@H]1CCCOC1 DY585690 [0,0,0,0,0,1|0,0,2]=3 259 B8R1.2 OCC1CCC=CO1 DY20505 [0,0,0,0,0,1|0,0,1]=2 260 B8R1.2 OCC1CCCCC1 DY20144 [0,0,0,0,0,1|1,0,0]=2 261 B8R1.2 OCC1CCCCN1 NO21780 [0,0,0,0,0,1|1,0,0]=2 262 B8R1.2 OCC1CCCNC1 NO22817 [0,0,0,0,0,1|1,0,0]=2 263 B8R1.2 OCC1CCNCC1 NO22819 [0,0,0,0,0,1|1,0,0]=2 264 B8R1.2 OCC1CNCCO1 NO15312 [0,0,0,0,0,1|0,0,0]=1 265 B8R1.2 OC[C@@H]1CNCCO1 NO14518 [0,0,0,0,0,1|0,0,0]=1 266 B8R1.2 OC[C@@H]1COCCN1 DY539919 [0,0,0,0,0,1|1,0,0]=2 267 B8R1.2 OC[C@@H]1COCCN1 NO15269 [0,0,0,0,0,1|1,0,0]=2 268 B8R1.2 OC[C@H]1CCCNC1 NO15958 [0,0,0,0,0,1|1,0,0]=2 269 B8R1.2 OC[C@H]1COCCN1 NO15280 [0,0,0,0,0,1|1,0,0]=2 270 B8R1.2 ON=C1CCOCC1 DY563223 [0,0,0,0,0,1|2,0,1]=4 271 B5R0.1 CC(C)CCBr DY460632 [1,0,1,0,0,0|2,0,0]=4 272 B5R0.1 CC(N)CCO NO22096 [1,0,1,0,0,0|2,0,0]=4 273 B5R0.1 CC(O)CON NO17735 [1,0,1,0,0,0|2,0,0]=4 274 B5R0.1 CCCB(O)O NO14802 [1,0,1,0,0,0|1,0,0]=3 275 B5R0.1 CCCC(C)=O NO21731 [1,0,1,0,0,0|0,0,2]=4 276 B5R0.1 CCCC(C)O DY741013 [1,0,1,0,0,0|0,0,0]=2 277 B5R0.1 CCOC(C)=N DY500026 [1,0,1,0,0,0|1,0,1]=4 278 B5R0.1 COCC(C)O NO20741 [1,0,1,0,0,0|1,0,0]=3 279 B5R0.1 COC[C@@H](C)O NO20249 [1,0,1,0,0,0|1,0,0]=3 280 B5R0.1 COC[C@H](C)N DY623421 [1,0,1,0,0,0|2,0,0]=4 281 B5R0.1 COC[C@H](C)O NO20309 [1,0,1,0,0,0|1,0,0]=3 282 B5R0.1 C[C@@H](N)CCO NO14355 [1,0,1,0,0,0|2,0,0]=4 283 B5R0.1 C[C@H](N)CCO DY625189 [1,0,1,0,0,0|2,0,0]=4 284 B5R0.1 C[C@H](N)CCO NO14356 [1,0,1,0,0,0|2,0,0]=4 285 B5R0.1 C[C@H](O)CC#N DY625225 [1,0,1,0,0,0|1,0,1]=4 286 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,0,1,0,0,0|0,0,2]=4 287 B5R0.2 CCC#CCC DY740797 [1,0,1,0,0,0|1,0,1]=4 288 B5R0.2 CCCCCBr NO20657 [1,0,1,0,0,0|1,0,0]=3 289 B5R0.2 CCCC[Mg]Cl DY567561 [1,0,1,0,0,0|2,0,0]=4 290 B5R0.2 CCOCCBr NO21396 [1,0,1,0,0,0|1,0,0]=3 291 B5R0.2 CC\C=C\CO DY527871 [1,0,1,0,0,0|0,0,2]=4 292 B5R0.2 CNCCCO NO14200 [1,0,1,0,0,0|1,0,0]=3 293 B5R0.2 COCCCBr NO20649 [1,0,1,0,0,0|2,0,0]=4 294 B5R0.2 COCCCO NO20039 [1,0,1,0,0,0|1,0,0]=3 295 B5R0.2 CSCCCO DY557199 [1,0,1,0,0,0|1,0,0]=3 296 B5R0.2 C\C=C\CCO DY799773 [1,0,1,0,0,0|0,0,2]=4 297 B5R0.2 FCCCCF DY822299 [1,0,1,0,0,0|2,0,0]=4 298 B5R0.2 NCCCCBr NO14979 [1,0,1,0,0,0|2,0,0]=4 299 B5R0.2 NCCCCN NO19906 [1,0,1,0,0,0|2,0,0]=4 300 B5R0.2 OCCCCF DY822291 [1,0,1,0,0,0|1,0,0]=3 301 B5R0.3 C=C[C@H](O)CO DY625759 [1,0,1,0,0,0|0,0,2]=4 302 B5R0.3 CCC(=O)OC DY460566 [1,0,1,0,0,0|0,0,2]=4 303 B5R0.3 CCC(N)CO DY20718 [1,0,1,0,0,0|1,0,0]=3 304 B5R0.3 CCC(N)CO DY741331 [1,0,1,0,0,0|1,0,0]=3 305 B5R0.3 CCC(O)CN DY519471 [1,0,1,0,0,0|1,0,0]=3 306 B5R0.3 CCC(O)CO DY822703 [1,0,1,0,0,0|0,0,0]=2 307 B5R0.3 CCN(O)CC DY551655 [1,0,1,0,0,0|2,0,0]=4 308 B5R0.3 CC[C@@H](N)CO NO15119 [1,0,1,0,0,0|1,0,0]=3 309 B5R0.3 CC[C@H](C)C#N DY822231 [1,0,1,0,0,0|1,0,1]=4 310 B5R0.3 CC[C@H](N)CO DY10528 [1,0,1,0,0,0|1,0,0]=3 311 B5R0.3 CC[C@H](O)CO NO15622 [1,0,1,0,0,0|0,0,0]=2 312 B5R0.3 COC(=O)CO NO19433 [1,0,1,0,0,0|1,0,1]=4 313 B5R0.3 CO[C@H](C)CN DY622119 [1,0,1,0,0,0|1,0,0]=3 314 B5R0.3 CO[C@H](C)CN NO17733 [1,0,1,0,0,0|1,0,0]=3 315 B5R0.3 CO[C@H](C)CO NO12306 [1,0,1,0,0,0|0,0,0]=2 316 B5R0.3 NC(CO)CO NO18352 [1,0,1,0,0,0|2,0,0]=4 317 B5R0.3 NCC(O)CN NO14232 [1,0,1,0,0,0|2,0,0]=4 318 B5R0.3 NCC(O)CO NO18397 [1,0,1,0,0,0|1,0,0]=3 319 B5R0.3 NC[C@@H](O)CO NO14832 [1,0,1,0,0,0|1,0,0]=3 320 B5R0.3 NC[C@H](O)CCl DY427329 [1,0,1,0,0,0|2,0,0]=4 321 B5R0.3 NC[C@H](O)CO DY20311 [1,0,1,0,0,0|1,0,0]=3 322 B5R0.3 OC[C@@H](O)CCl NO15061 [1,0,1,0,0,0|1,0,0]=3 323 B5R0.3 OC[C@H](O)CCl DY20314 [1,0,1,0,0,0|1,0,0]=3 324 B5R1.1 C1=NCCO1 DY793809 [2,0,0,0,0,0|1,0,1]=4 325 B5R1.1 C1CNNC1 NO16750 [2,0,0,0,0,0|2,0,0]=4 326 B5R1.1 C1COCO1 DY822673 [2,0,0,0,0,0|1,0,0]=3 327 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,1,1,0,0,0|1,0,0]=3 328 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,1,1,0,0,0|1,0,0]=3 329 B7R0.2 CC(C)OC(=O)CO NO11522 [0,1,1,0,0,0|1,0,1]=4 330 B7R0.2 CN(C)CC(N)CO DY533205 [0,1,1,0,0,0|2,0,0]=4 331 B7R0.2 CN(C)CC(O)CO NO15349 [0,1,1,0,0,0|1,0,0]=3 332 B7R0.3 C#CCC[C@H](N)CO DY516333 [0,1,1,0,0,0|1,0,1]=4 333 B7R0.3 CCCCC(O)CO DY567525 [0,1,1,0,0,0|0,0,0]=2 334 B7R0.3 CCCOC(C)CN DY605531 [0,1,1,0,0,0|1,0,0]=3 335 B7R0.3 NCC(Cl)CCCCl DY822547 [0,1,1,0,0,0|2,0,0]=4 336 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [0,1,1,0,0,0|1,0,1]=4 337 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [0,1,1,0,0,0|1,0,1]=4 338 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [0,1,1,0,0,0|1,0,1]=4 339 B7R0.5 NCCC(O)C(=O)O NO15496 [0,1,1,0,0,0|1,0,1]=4 340 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [0,1,1,0,0,0|1,0,1]=4 341 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [0,1,1,0,0,0|1,0,1]=4 342 B7R0.7 CCOC(=O)COC NO11389 [0,1,1,0,0,0|1,0,1]=4 343 B7R0.7 COCC(N)COC NO21215 [0,1,1,0,0,0|2,0,0]=4 344 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [0,1,1,0,0,0|1,0,0]=3 345 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [0,1,1,0,0,0|1,0,1]=4 346 B7R0.10 O=C[C@H](O)[C@H](O)CO DY561741 [0,1,1,0,0,0|1,0,1]=4 347 B7R0.10 OC(CBr)C(O)CBr DY523851 [0,1,1,0,0,0|2,0,0]=4 348 B7R0.12 CCOC(CC)CN DY605537 [0,1,1,0,0,0|1,0,0]=3 349 B7R0.1 BrCCCCCCBr NO20550 [0,1,1,0,0,0|2,0,0]=4 350 B7R0.1 C#CCCCCCC DY740767 [0,1,1,0,0,0|2,0,0]=4 351 B7R0.1 C#CCCCCCO NO10705 [0,1,1,0,0,0|1,0,0]=3 352 B7R0.1 C=CCCCCCBr NO19607 [0,1,1,0,0,0|2,0,0]=4 353 B7R0.1 CCCOCCCN DY740653 [0,1,1,0,0,0|1,0,0]=3 354 B7R0.1 COCCOCCBr DY559431 [0,1,1,0,0,0|1,0,0]=3 355 B7R0.1 COCCOCCCl DY740401 [0,1,1,0,0,0|1,0,0]=3 356 B7R0.1 ClCCCCCCI DY550149 [0,1,1,0,0,0|2,0,0]=4 357 B7R0.1 FCCCCCCF DY822301 [0,1,1,0,0,0|2,0,0]=4 358 B7R0.1 N#CCCSCCO DY791895 [0,1,1,0,0,0|0,1,1]=4 359 B7R0.1 NCCCCCCN DY740617 [0,1,1,0,0,0|2,0,0]=4 360 B7R0.1 NCCCNCCBr NO13982 [0,1,1,0,0,0|2,0,0]=4 361 B7R0.1 OCCCCCCBr NO14335 [0,1,1,0,0,0|1,0,0]=3 362 B7R0.1 OCCCCCCF DY822293 [0,1,1,0,0,0|1,0,0]=3 363 B7R0.1 OCCOCCCCl DY740305 [0,1,1,0,0,0|0,0,0]=2 364 B7R0.1 SCCCCCCS DY741367 [0,1,1,0,0,0|0,2,0]=4 365 B7R0.4 CC(O)COCCN DY560097 [0,1,1,0,0,0|1,0,0]=3 366 B7R0.4 CCCCCB(O)O NO22305 [0,1,1,0,0,0|2,0,0]=4 367 B7R0.4 CCCCCC(C)O NO21570 [0,1,1,0,0,0|1,0,0]=3 368 B7R0.4 CCCOCC(=O)O DY425744 [0,1,1,0,0,0|0,0,1]=3 369 B7R0.4 CN(C)CCCCO NO22813 [0,1,1,0,0,0|2,0,0]=4 370 B7R0.15 CC[C@H](CO)C(=O)O DY621945 [0,1,1,0,0,0|2,0,0]=4 371 B7R0.15 COC(OC)C(C)Br DY549099 [0,1,1,0,0,0|2,0,0]=4 372 B7R0.18 CCC(N)(CO)CO NO21221 [0,1,1,0,0,0|2,0,0]=4 373 B7R1.2 CC1CCC(=O)N1 DY505299 [1,1,0,0,0,0|1,0,1]=4 374 B7R1.2 CC1CCC(C)N1 DY585723 [1,1,0,0,0,0|1,0,0]=3 375 B7R1.2 CN1CC[C@@H](N)C1 DY626972 [1,1,0,0,0,0|2,0,0]=4 376 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [1,1,0,0,0,0|2,0,0]=4 377 B7R1.2 CN1CC[C@H](Cl)C1 DY625207 [1,1,0,0,0,0|2,0,0]=4 378 B7R1.2 CN1CC[C@H](N)C1 DY623927 [1,1,0,0,0,0|2,0,0]=4 379 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [1,1,0,0,0,0|1,0,0]=3 380 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [1,1,0,0,0,0|1,0,0]=3 381 B7R1.2 NC1CCC(O)C1 NO14798 [1,1,0,0,0,0|1,0,0]=3 382 B7R1.2 N[C@@H]1CC[C@@H](F)C1 DY519405 [1,1,0,0,0,0|2,0,0]=4 383 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [1,1,0,0,0,0|1,0,0]=3 384 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [1,1,0,0,0,0|0,0,2]=4 385 B7R1.2 N[C@H]1CC[C@@H](F)C1 DY757213 [1,1,0,0,0,0|2,0,0]=4 386 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [1,1,0,0,0,0|1,0,0]=3 387 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [1,1,0,0,0,0|1,0,0]=3 388 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [1,1,0,0,0,0|0,0,2]=4 389 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [1,1,0,0,0,0|0,0,2]=4 390 B7R1.2 O[C@@H]1C=C[C@H](O)C1 DY547017 [1,1,0,0,0,0|1,0,1]=4 391 B7R1.4 BrC1CCCC1Br DY585689 [1,1,0,0,0,0|2,0,0]=4 392 B7R1.4 CC1CCCC1O DY757267 [1,1,0,0,0,0|1,0,0]=3 393 B7R1.4 CC1CCOC1=O DY759320 [1,1,0,0,0,0|0,0,2]=4 394 B7R1.4 CC1OCCC1=O NO14135 [1,1,0,0,0,0|0,0,1]=3 395 B7R1.4 C[C@@H]1CCNC1=O DY546075 [1,1,0,0,0,0|2,0,0]=4 396 B7R1.4 C[C@H]1CCNC1=O DY560337 [1,1,0,0,0,0|2,0,0]=4 397 B7R1.4 NC1CCCC1O NO19404 [1,1,0,0,0,0|1,0,0]=3 398 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [1,1,0,0,0,0|1,0,0]=3 399 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [1,1,0,0,0,0|1,0,0]=3 400 B7R1.4 N[C@@H]1CCOC1=O NO18578 [1,1,0,0,0,0|0,0,2]=4 401 B7R1.4 N[C@@H]1COC[C@H]1O DY105386 [1,1,0,0,0,0|2,0,0]=4 402 B7R1.4 N[C@@H]1CSC[C@H]1O DY559281 [1,1,0,0,0,0|2,0,0]=4 403 B7R1.4 N[C@H]1CCC[C@@H]1N DY620340 [1,1,0,0,0,0|2,0,0]=4 404 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [1,1,0,0,0,0|1,0,0]=3 405 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [1,1,0,0,0,0|1,0,0]=3 406 B7R1.4 N[C@H]1CCOC1=O DY541269 [1,1,0,0,0,0|0,0,2]=4 407 B7R1.4 N[C@H]1COC[C@@H]1O DY586645 [1,1,0,0,0,0|2,0,0]=4 408 B7R1.4 O=C1CCCC1Cl DY567621 [1,1,0,0,0,0|2,0,0]=4 409 B7R1.4 O=C1NCCC1O DY444274 [1,1,0,0,0,0|2,0,0]=4 410 B7R1.4 O=C1NCC[C@@H]1O NO19486 [1,1,0,0,0,0|2,0,0]=4 411 B7R1.4 O=C1NCC[C@H]1O DY115910 [1,1,0,0,0,0|2,0,0]=4 412 B7R1.4 O[C@@H]1CCC[C@H]1F DY518337 [1,1,0,0,0,0|1,0,0]=3 413 B7R1.4 O[C@@H]1CCC[C@H]1O DY557241 [1,1,0,0,0,0|1,0,0]=3 414 B7R1.4 O[C@@H]1CNC[C@@H]1F DY586649 [1,1,0,0,0,0|2,0,0]=4 415 B7R1.4 O[C@@H]1CNC[C@H]1F DY457961 [1,1,0,0,0,0|2,0,0]=4 416 B7R1.4 O[C@H]1CNC[C@@H]1O NO20186 [1,1,0,0,0,0|2,0,0]=4 417 B7R1.14 CC1(Br)CCCC1 DY585925 [1,1,0,0,0,0|1,0,0]=3 418 B7R1.14 CC1(C)COCN1 DY557637 [1,1,0,0,0,0|2,0,0]=4 419 B7R1.14 CC1(C)NCCS1 NO22651 [1,1,0,0,0,0|1,1,0]=4 420 B7R1.14 CC1(C)OCCO1 DY822372 [1,1,0,0,0,0|1,0,0]=3 421 B7R1.14 CC1(N)CCCC1 DY502389 [1,1,0,0,0,0|1,0,0]=3 422 B7R1.14 CC1(O)CCCC1 NO20768 [1,1,0,0,0,0|1,0,0]=3 423 B7R1.6 C=CCC1CNC1 DY586612 [0,1,0,0,1,0|2,0,0]=4 424 B7R1.6 CCOC1CNC1 DY577479 [0,1,0,0,1,0|2,0,0]=4 425 B7R1.6 OCCC1CCO1 DY551169 [0,1,0,0,1,0|0,0,0]=2 426 B7R1.8 CN1CCC1CN DY104666 [0,1,0,0,1,0|2,0,0]=4 427 B7R1.8 NCC1CCC1F DY528009 [0,1,0,0,1,0|1,0,0]=3 428 B7R1.10 CN1CC(CBr)C1 DY106288 [0,1,0,0,1,0|2,0,0]=4 429 B7R1.10 CN[C@H]1C[C@H](O)C1 DY522027 [0,1,0,0,1,0|2,0,0]=4 430 B7R1.10 CSC1CC(O)C1 DY536265 [0,1,0,0,1,0|2,0,0]=4 431 B7R1.10 NCC1CC(=O)C1 DY522525 [0,1,0,0,1,0|1,0,1]=4 432 B7R1.10 NC[C@H]1C[C@H](O)C1 DY101929 [0,1,0,0,1,0|1,0,0]=3 433 B7R1.18 CC(F)C1CNC1 DY718768 [0,1,0,0,1,0|2,0,0]=4 434 B7R1.18 CC(O)C1CCC1 NO20672 [0,1,0,0,1,0|0,0,0]=2 435 B7R1.18 C[C@@H](O)C1COC1 DY586622 [0,1,0,0,1,0|1,0,0]=3 436 B7R1.18 C[C@H](N)C1CCC1 DY586624 [0,1,0,0,1,0|1,0,0]=3 437 B7R1.18 C[C@H](O)C1COC1 DY586621 [0,1,0,0,1,0|1,0,0]=3 438 B7R1.18 O=C(O)C1CCC1 NO22786 [0,1,0,0,1,0|0,0,1]=3 439 B7R1.18 O=C(O)C1CCN1 NO18844 [0,1,0,0,1,0|1,0,1]=4 440 B7R1.18 O=C(O)C1CNC1 NO16485 [0,1,0,0,1,0|1,0,1]=4 441 B7R1.18 O=C(O)C1COC1 NO22389 [0,1,0,0,1,0|1,0,1]=4 442 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [0,1,0,0,1,0|1,0,1]=4 443 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [0,1,0,0,1,0|1,0,1]=4 444 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [0,1,0,0,1,0|1,0,1]=4 445 B7R1.18 OB(O)C1CCC1 NO12533 [0,1,0,0,1,0|1,0,0]=3 446 B7R1.25 CC1(CBr)COC1 NO22179 [0,1,0,0,1,0|2,0,0]=4 447 B7R1.25 CC1(CCl)COC1 DY573177 [0,1,0,0,1,0|2,0,0]=4 448 B7R1.25 CC1(CN)CNC1 DY586631 [0,1,0,0,1,0|2,0,0]=4 449 B7R1.25 CC1(CN)COC1 NO22390 [0,1,0,0,1,0|2,0,0]=4 450 B7R1.25 CC1(CO)COC1 NO16968 [0,1,0,0,1,0|1,0,0]=3 451 B7R1.25 CC1(CS)COC1 DY115780 [0,1,0,0,1,0|1,1,0]=4 452 B7R1.25 CCC1(O)CNC1 DY444268 [0,1,0,0,1,0|2,0,0]=4 453 B7R1.25 N#CC1(N)CCC1 DY756205 [0,1,0,0,1,0|1,0,1]=4 454 B7R1.25 NCC1(F)CCC1 DY577221 [0,1,0,0,1,0|1,0,0]=3 455 B7R1.25 NCC1(N)CCC1 NO17914 [0,1,0,0,1,0|1,0,0]=3 456 B7R1.25 NCC1(O)CCC1 NO12835 [0,1,0,0,1,0|1,0,0]=3 457 B7R1.25 OCC1(F)CNC1 DY459035 [0,1,0,0,1,0|1,0,0]=3 458 B7R1.25 OCC1(O)CNC1 DY718774 [0,1,0,0,1,0|1,0,0]=3 459 B9R1.1 CC1CCC(CO)CC1 DY756931 [0,1,0,0,0,1|1,0,0]=3 460 B9R1.1 CC[C@H]1CN[C@H](C)CN1 DY620870 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.1 CN1CCC(CBr)CC1 DY585696 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.1 CN1CCC(CN)CC1 NO21766 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.1 CN1CCC(CO)CC1 NO19632 [0,1,0,0,0,1|1,0,0]=3 464 B9R1.1 C[C@@H]1CC[C@H](CO)CN1 DY585981 [0,1,0,0,0,1|1,0,0]=3 465 B9R1.1 NCC1CCC(O)CC1 DY102788 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.1 N[C@@H]1CC[C@@H](CO)OC1 DY741667 [0,1,0,0,0,1|0,0,0]=2 467 B9R1.2 CN1CCCC(CCl)C1 DY637082 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.2 CN1CCCC(CN)C1 NO18007 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.2 CN1CCC[C@@H](CN)C1 DY521709 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.2 CN1CCC[C@H](CO)C1 DY538503 [0,1,0,0,0,1|1,0,0]=3 471 B9R1.2 CN1CCOC(C#N)C1 DY731785 [0,1,0,0,0,1|1,0,1]=4 472 B9R1.2 CN1CCOC(CN)C1 NO21704 [0,1,0,0,0,1|1,0,0]=3 473 B9R1.2 CN1CCO[C@@H](CO)C1 DY508436 [0,1,0,0,0,1|0,0,0]=2 474 B9R1.2 C[C@@H]1CNC[C@@H](CO)O1 DY607305 [0,1,0,0,0,1|0,0,0]=2 475 B9R1.2 C[C@H]1CCOC(C=O)C1 DY586418 [0,1,0,0,0,1|0,0,2]=4 476 B9R1.2 O=C1CNC[C@@H](CO)N1 DY586385 [0,1,0,0,0,1|1,0,1]=4 477 B9R1.2 O=C1COCC(CO)N1 NO17255 [0,1,0,0,0,1|1,0,1]=4 478 B9R1.2 OCC1CNCC(F)C1 DY631784 [0,1,0,0,0,1|1,0,0]=3 479 B9R1.6 CC(=O)[C@@H]1CCCOC1 DY585693 [0,1,0,0,0,1|0,0,2]=4 480 B9R1.6 CC(=O)[C@H]1CCCOC1 DY585692 [0,1,0,0,0,1|0,0,2]=4 481 B9R1.6 CC(C)C1CNCCO1 NO16451 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.6 CC(C)[C@@H]1CNCCN1 DY622113 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.6 CC(C)[C@@H]1COCCN1 DY20926 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.6 CC(C)[C@@H]1COCCN1 DY444041 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.6 CC(C)[C@H]1CNCCO1 DY444059 [0,1,0,0,0,1|1,0,0]=3 486 B9R1.6 CC(O)C1CCCOC1 DY585691 [0,1,0,0,0,1|0,0,0]=2 487 B9R1.6 C[C@H](O)C1CCCCC1 DY547839 [0,1,0,0,0,1|1,0,0]=3 488 B9R1.6 NC(=O)C1CCCOC1 DY777466 [0,1,0,0,0,1|0,0,2]=4 489 B9R1.6 O=C(O)C1=COCCC1 DY553647 [0,1,0,0,0,1|0,0,2]=4 490 B9R1.6 O=C(O)C1CCCCN1 NO18433 [0,1,0,0,0,1|1,0,1]=4 491 B9R1.6 O=C(O)C1CCCNC1 NO22806 [0,1,0,0,0,1|1,0,1]=4 492 B9R1.6 O=C(O)C1CCCOC1 NO18526 [0,1,0,0,0,1|0,0,1]=3 493 B9R1.6 O=C(O)C1CCNCC1 NO15208 [0,1,0,0,0,1|1,0,1]=4 494 B9R1.6 O=C(O)C1CCNCC1 NO22807 [0,1,0,0,0,1|1,0,1]=4 495 B9R1.6 O=C(O)C1CCOCC1 NO18392 [0,1,0,0,0,1|1,0,1]=4 496 B9R1.6 O=C(O)C1CCSCC1 DY578325 [0,1,0,0,0,1|1,0,1]=4 497 B9R1.6 O=C(O)C1CNCCN1 NO16953 [0,1,0,0,0,1|1,0,1]=4 498 B9R1.6 O=C(O)C1CNCCN1 NO22631 [0,1,0,0,0,1|1,0,1]=4 499 B9R1.6 O=C(O)C1CNCCO1 NO21703 [0,1,0,0,0,1|0,0,1]=3 500 B9R1.6 O=C(O)C1CNCCS1 DY738698 [0,1,0,0,0,1|0,1,1]=4 501 B9R1.6 O=C(O)C1CNCCS1 DY789387 [0,1,0,0,0,1|0,1,1]=4 502 B9R1.6 O=C(O)C1CSCCN1 NO19640 [0,1,0,0,0,1|1,0,1]=4 503 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO13937 [0,1,0,0,0,1|1,0,1]=4 504 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO18418 [0,1,0,0,0,1|1,0,1]=4 505 B9R1.6 O=C(O)[C@@H]1CCCNC1 NO12538 [0,1,0,0,0,1|1,0,1]=4 506 B9R1.6 O=C(O)[C@@H]1CCCNC1 NO22802 [0,1,0,0,0,1|1,0,1]=4 507 B9R1.6 O=C(O)[C@@H]1CCCNN1 DY625837 [0,1,0,0,0,1|1,0,1]=4 508 B9R1.6 O=C(O)[C@@H]1CNCCN1 NO17152 [0,1,0,0,0,1|1,0,1]=4 509 B9R1.6 O=C(O)[C@@H]1COCCN1 NO16814 [0,1,0,0,0,1|1,0,1]=4 510 B9R1.6 O=C(O)[C@@H]1COCCN1 NO17811 [0,1,0,0,0,1|1,0,1]=4 511 B9R1.6 O=C(O)[C@@H]1CSCCN1 DY565755 [0,1,0,0,0,1|1,0,1]=4 512 B9R1.6 O=C(O)[C@H]1CCCCN1 NO18416 [0,1,0,0,0,1|1,0,1]=4 513 B9R1.6 OB(O)C1CCCCC1 NO18573 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.8 BrCCC1CCCCC1 DY530061 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.8 C#CCC1CCNCC1 DY775077 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.8 CCNC1CCCCC1 NO11778 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.8 CCNC1CCCNC1 DY774573 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.8 CCN[C@@H]1CCCNC1 DY631916 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.8 CNCC1CCCCC1 DY609279 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.8 CNCC1CCCNC1 DY774453 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.8 CNCC1CNCCO1 DY732373 [0,1,0,0,0,1|1,0,0]=3 522 B9R1.8 COCC1CCCCN1 DY458555 [0,1,0,0,0,1|1,0,0]=3 523 B9R1.8 FCCC1CCCNC1 DY636868 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.8 N#CCC1CCNCC1 DY721567 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.8 NCCC1CCCCC1 NO18358 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.8 NCCC1CCCCO1 DY553407 [0,1,0,0,0,1|1,0,0]=3 527 B9R1.8 NCCC1CCCOC1 DY606573 [0,1,0,0,0,1|1,0,0]=3 528 B9R1.8 NCCC1CCOCC1 DY20509 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.8 NCCC1CCOCC1 DY552609 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.8 OCCC1CCCCN1 NO13732 [0,1,0,0,0,1|1,0,0]=3 531 B9R1.8 OCCC1CCCCN1 NO17564 [0,1,0,0,0,1|1,0,0]=3 532 B9R1.8 OCCC1COCCO1 DY603514 [0,1,0,0,0,1|0,0,0]=2 533 B9R1.8 OCCN1CCNCC1 NO13442 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.8 OCCN1CCOCC1 NO11708 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.8 OCCN1CCSCC1 NO18622 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.8 OCC[C@@H]1CCCCN1 DY571947 [0,1,0,0,0,1|1,0,0]=3 537 B9R1.8 OCC[C@@H]1CNCCN1 NO16449 [0,1,0,0,0,1|1,0,0]=3 538 B9R1.8 OCC[C@H]1CCCCO1 DY527163 [0,1,0,0,0,1|0,0,0]=2 539 B9R1.8 OCC[C@H]1CCCNC1 DY586608 [0,1,0,0,0,1|1,0,0]=3 540 B9R1.8 OCC[C@H]1CNCCN1 DY586497 [0,1,0,0,0,1|1,0,0]=3 541 B9R1.8 OCC[C@H]1CNCCN1 NO16450 [0,1,0,0,0,1|1,0,0]=3 542 B9R1.8 OCC[C@H]1COCCN1 DY624241 [0,1,0,0,0,1|1,0,0]=3 543 B9R1.15 CC1CC=CCC1CO DY796065 [0,1,0,0,0,1|1,0,1]=4 544 B9R1.15 CCC1CNCCC1=O NO17950 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.15 CCC1NCCCC1=O DY636158 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.15 CN1CCCCC1CO NO18858 [0,1,0,0,0,1|1,0,0]=3 547 B9R1.15 CN1CCCC[C@@H]1CO NO16091 [0,1,0,0,0,1|1,0,0]=3 548 B9R1.15 CN1CCCC[C@H]1CN DY623439 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.15 CN1CCCC[C@H]1CO NO16092 [0,1,0,0,0,1|1,0,0]=3 550 B9R1.15 CN1CCNC[C@@H]1CF DY734731 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.15 CN1CCOCC1CN NO14994 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.15 CN1CCOC[C@H]1CO DY456772 [0,1,0,0,0,1|1,0,0]=3 553 B9R1.15 CO[C@@H]1COCC[C@@H]1N DY101953 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.15 CO[C@@H]1COCC[C@@H]1N DY513243 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.15 NC[C@H]1CCNC[C@H]1O DY105550 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.15 O=C1CCCCC1CO DY587110 [0,1,0,0,0,1|1,0,0]=3 557 B9R1.15 OC[C@H]1CCNC[C@H]1F DY121266 [0,1,0,0,0,1|1,0,0]=3 558 B9R1.15 OC[C@H]1CCNC[C@H]1F DY643598 [0,1,0,0,0,1|1,0,0]=3 559 B9R1.118 C#CC1(O)CCCOC1 DY586671 [0,1,0,0,0,1|1,0,1]=4 560 B9R1.118 CC1(CO)CCCCN1 DY610991 [0,1,0,0,0,1|1,0,0]=3 561 B9R1.118 CC1(CO)CCNCC1 NO12640 [0,1,0,0,0,1|1,0,0]=3 562 B9R1.118 CCC1(N)CCCOC1 DY508382 [0,1,0,0,0,1|1,0,0]=3 563 B9R1.118 CCC1(O)CCCNC1 DY637340 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.118 CC[C@]1(C)CCCNC1 DY603694 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.118 NC1(CO)CCNCC1 DY569067 [0,1,0,0,0,1|1,0,0]=3 566 B9R1.118 NC1(CO)CCOCC1 DY444316 [0,1,0,0,0,1|1,0,0]=3 567 B9R1.118 NCC1(N)CCCCC1 DY513231 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.118 OCC1(F)CCNCC1 DY457997 [0,1,0,0,0,1|1,0,0]=3 569 B9R1.118 OCC1(O)CCNCC1 DY429078 [0,1,0,0,0,1|1,0,0]=3 570 B9R1.118 OCC1(O)CCNCC1 DY444352 [0,1,0,0,0,1|1,0,0]=3 571 B9R1.21 OC[C@@H]1CC[C@H](CO)O1 NO11151 [0,2,0,0,0,0|0,0,0]=2 572 B9R1.22 CN1C[C@H](O)C[C@H]1CO DY621050 [0,2,0,0,0,0|1,0,0]=3 573 B9R1.22 N[C@H]1C[C@H](O)[C@H](CO)C1 DY536571 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.22 O=C1C[C@@H](O)[C@@H](CBr)O1 DY742837 [0,2,0,0,0,0|1,0,1]=4 575 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 DY549897 [0,2,0,0,0,0|0,0,1]=3 576 B9R1.35 CC1CN[C@H](C(=O)O)C1 DY586580 [0,2,0,0,0,0|1,0,1]=4 577 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586577 [0,2,0,0,0,0|1,0,1]=4 578 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586579 [0,2,0,0,0,0|1,0,1]=4 579 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 DY586578 [0,2,0,0,0,0|1,0,1]=4 580 B9R1.35 NC1CCC(C(=O)O)C1 NO16161 [0,2,0,0,0,0|1,0,1]=4 581 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 DY529041 [0,2,0,0,0,0|1,0,1]=4 582 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 DY628863 [0,2,0,0,0,0|1,0,1]=4 583 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 NO14934 [0,2,0,0,0,0|1,0,1]=4 584 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 NO17903 [0,2,0,0,0,0|1,0,1]=4 585 B9R1.35 O=C(O)[C@@H]1C[C@@H](I)CN1 DY515055 [0,2,0,0,0,0|1,0,1]=4 586 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 NO18304 [0,2,0,0,0,0|1,0,1]=4 587 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 DY620370 [0,2,0,0,0,0|1,0,1]=4 588 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 DY526479 [0,2,0,0,0,0|1,0,1]=4 589 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO19994 [0,2,0,0,0,0|1,0,1]=4 590 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 NO22793 [0,2,0,0,0,0|1,0,1]=4 591 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 NO12039 [0,2,0,0,0,0|1,0,1]=4 592 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [0,2,0,0,0,0|0,0,2]=4 593 B9R1.132 CN1C(=O)CCC1CO DY102373 [0,2,0,0,0,0|1,0,1]=4 594 B9R1.132 CN1C(=O)CC[C@@H]1CO DY738224 [0,2,0,0,0,0|1,0,1]=4 595 B9R1.132 OC[C@H]1NC[C@H](O)[C@H]1O DY620557 [0,2,0,0,0,0|1,0,0]=3 596 B9R1.132 OC[C@H]1OC[C@H](O)[C@H]1O DY822413 [0,2,0,0,0,0|0,0,0]=2 597 B9R1.133 CC1(C)OCC(CN)O1 DY530445 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.133 CC1(C)OCC(CO)O1 DY500014 [0,2,0,0,0,0|1,0,0]=3 599 B9R1.133 CC1(C)OC[C@@H](CCl)O1 DY20698 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.133 CC1(C)OC[C@H](CI)O1 NO20979 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.133 CC1(C)OC[C@H](CN)O1 DY573441 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.133 NCC1CCC(F)(F)C1 DY533331 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.133 OC[C@H]1CC(F)(F)CN1 DY105014 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.11 COC(=O)C1CCCN1 NO11440 [0,2,0,0,0,0|1,0,1]=4 605 B9R1.11 COC(=O)[C@@H]1CCCN1 NO18447 [0,2,0,0,0,0|1,0,1]=4 606 B9R1.11 COC(=O)[C@@H]1CCCO1 DY576465 [0,2,0,0,0,0|0,0,1]=3 607 B9R1.11 O=C(CBr)C1CCCO1 DY585542 [0,2,0,0,0,0|1,0,0]=3 608 B9R1.11 O=C(CCl)C1CCCC1 DY822737 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.19 FC(F)(F)C1CCCN1 DY575925 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.41 CN1CCC[C@H]1C(=O)O NO11794 [0,2,0,0,0,0|1,0,1]=4 611 B9R1.41 NC1CCCC1C(=O)O DY585767 [0,2,0,0,0,0|1,0,1]=4 612 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O DY550977 [0,2,0,0,0,0|1,0,1]=4 613 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O DY585907 [0,2,0,0,0,0|1,0,1]=4 614 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F DY586005 [0,2,0,0,0,0|1,0,1]=4 615 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F DY545055 [0,2,0,0,0,0|1,0,1]=4 616 B9R1.163 C[C@@]1(C(=O)O)CCCN1 DY10549 [0,2,0,0,0,0|1,0,1]=4 617 B9R1.163 C[C@]1(C(=O)O)CCCO1 DY563493 [0,2,0,0,0,0|0,0,1]=3 618 B9R1.163 NC1(C(=O)O)CCCC1 NO18420 [0,2,0,0,0,0|1,0,1]=4 619 B9R1.163 O=C(O)C1(O)CCCC1 NO20733 [0,2,0,0,0,0|1,0,1]=4 620 B9R1.12 Br[Mg]CCC1OCCO1 DY116051 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.12 C=CCNC1CCCC1 DY585789 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.12 CCNCC1CCCN1 DY717255 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.12 COCCC1CCCN1 DY580917 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.12 NCCCC1CCCC1 DY562863 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.12 NCCOC1CCCC1 DY585784 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.12 O=C=NCC1CCCO1 DY759350 [0,2,0,0,0,0|0,0,1]=3 627 B9R1.12 OCCCC1OCCO1 DY759266 [0,2,0,0,0,0|1,0,0]=3 628 B9R1.13 CC(C)NC1CCCC1 DY585787 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.13 CC(C)NC1CCCC1 DY757381 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.13 NC(=O)CC1CCCN1 DY586075 [0,2,0,0,0,0|1,0,1]=4 631 B9R1.13 O=C(O)CC1CCOC1 NO20367 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.33 CN1CCC[C@@H]1CCN NO17253 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.33 CN1CCC[C@@H]1CCO DY621819 [0,2,0,0,0,0|1,0,0]=3 634 B9R1.33 CN1CCC[C@H]1CCN DY105423 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.33 CN1CCC[C@H]1CCN NO17948 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.134 CC1(CC=O)OCCO1 DY759008 [0,2,0,0,0,0|1,0,1]=4 637 B9R1.14 CCN1CCCC1CN NO10140 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.14 CCN1CCC[C@@H]1CN DY621338 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.14 OC[C@@H]1CNC[C@@H]1CO DY608083 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.24 C[C@]1(N)CCC[C@H]1CO DY620004 [0,2,0,0,0,0|1,0,0]=3 641 B7R1.3 BrC1CCCCC1 NO11079 [0,0,1,1,0,0|2,0,0]=4 642 B7R1.3 CC1C=CCCO1 DY560079 [0,0,1,1,0,0|1,0,1]=4 643 B7R1.3 CC1CCCCN1 DY20418 [0,0,1,1,0,0|2,0,0]=4 644 B7R1.3 CC1CNCCN1 NO13503 [0,0,1,1,0,0|2,0,0]=4 645 B7R1.3 CC1CNCCO1 NO21692 [0,0,1,1,0,0|1,0,0]=3 646 B7R1.3 CC1COCCN1 NO22371 [0,0,1,1,0,0|1,0,0]=3 647 B7R1.3 C[C@@H]1CCCNC1 NO16133 [0,0,1,1,0,0|2,0,0]=4 648 B7R1.3 C[C@@H]1CNCCN1 DY622137 [0,0,1,1,0,0|2,0,0]=4 649 B7R1.3 C[C@@H]1CNCCN1 NO17164 [0,0,1,1,0,0|2,0,0]=4 650 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,0,1,1,0,0|1,0,0]=3 651 B7R1.3 C[C@@H]1COCCN1 NO14856 [0,0,1,1,0,0|1,0,0]=3 652 B7R1.3 C[C@@H]1COCCN1 NO20285 [0,0,1,1,0,0|1,0,0]=3 653 B7R1.3 C[C@H]1CNCCN1 NO17167 [0,0,1,1,0,0|2,0,0]=4 654 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,0,1,1,0,0|1,0,0]=3 655 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,0,1,1,0,0|1,0,0]=3 656 B7R1.3 C[C@H]1COCCN1 DY20820 [0,0,1,1,0,0|1,0,0]=3 657 B7R1.3 C[C@H]1COCCN1 NO22413 [0,0,1,1,0,0|1,0,0]=3 658 B7R1.3 ClC1CCCOC1 DY586426 [0,0,1,1,0,0|1,0,0]=3 659 B7R1.3 NC1CCCNC1 NO22655 [0,0,1,1,0,0|2,0,0]=4 660 B7R1.3 N[C@@H]1CCCNC1 NO17178 [0,0,1,1,0,0|2,0,0]=4 661 B7R1.3 N[C@@H]1CCCOC1 DY517515 [0,0,1,1,0,0|1,0,0]=3 662 B7R1.3 N[C@H]1CCCNC1 NO17182 [0,0,1,1,0,0|2,0,0]=4 663 B7R1.3 O=C1COCCO1 DY20725 [0,0,1,1,0,0|1,0,1]=4 664 B7R1.3 OC1CCCNC1 NO22642 [0,0,1,1,0,0|1,0,0]=3 665 B7R1.3 OC1CCCOC1 NO17782 [0,0,1,1,0,0|0,0,0]=2 666 B7R1.3 OC1CCNCC1 NO22643 [0,0,1,1,0,0|2,0,0]=4 667 B7R1.3 OC1CCOCC1 NO13929 [0,0,1,1,0,0|2,0,0]=4 668 B7R1.3 OC1CCSCC1 NO12012 [0,0,1,1,0,0|2,0,0]=4 669 B7R1.3 O[C@@H]1CCCNC1 NO17016 [0,0,1,1,0,0|1,0,0]=3 670 B7R1.3 O[C@H]1CCCNC1 NO17020 [0,0,1,1,0,0|1,0,0]=3 671 B7R1.9 NCC1CC1CO DY528789 [0,0,1,1,0,0|2,0,0]=4 672 B7R1.9 OC[C@H]1C[C@H]1CO DY543213 [0,0,1,1,0,0|2,0,0]=4 673 B7R1.21 CCOC1(O)CC1 NO16017 [0,0,1,1,0,0|2,0,0]=4 674 B7R1.21 NCCC1(O)CC1 DY576975 [0,0,1,1,0,0|2,0,0]=4 675 B7R1.22 C#C[C@@H](O)C1CC1 DY586257 [0,0,1,1,0,0|1,0,1]=4 676 B7R1.22 CC[C@H](N)C1CC1 DY585988 [0,0,1,1,0,0|2,0,0]=4 677 B7R1.22 NCC(O)C1CC1 DY608201 [0,0,1,1,0,0|1,0,0]=3 678 B7R1.22 NC[C@H](O)C1CC1 DY586263 [0,0,1,1,0,0|1,0,0]=3 679 B7R1.22 N[C@@H](CO)C1CC1 DY515775 [0,0,1,1,0,0|1,0,0]=3 680 B7R1.22 O=C(CO)C1CC1 DY758275 [0,0,1,1,0,0|0,0,2]=4 681 B7R1.27 CCC1(C)ON1C DY549645 [0,0,1,1,0,0|2,0,0]=4 682 B7R1.7 CCCC[C@H]1CO1 DY822259 [0,0,1,1,0,0|1,0,0]=3 683 B7R1.7 OCCC[C@@H]1CO1 DY536067 [0,0,1,1,0,0|0,0,0]=2 684 B7R1.24 C1CNCCOC1 NO17007 [0,0,1,1,0,0|1,0,0]=3 685 B7R1.29 COC1(CN)CC1 DY527313 [0,0,1,1,0,0|1,0,0]=3 686 B7R1.29 OCC1(CO)CC1 DY20742 [0,0,1,1,0,0|2,0,0]=4 687 B7R2.8 NC1C2CC1C2 DY104372 [0,0,0,1,1,0|1,0,0]=3 688 B7R2.16 C1CC12CNC2 DY529809 [0,0,0,1,1,0|2,0,0]=4 689 B9R2.24 OC1C2CCC1CC2 DY544749 [0,0,0,1,0,1|1,0,0]=3 690 B9R2.49 C1=CC2CCC1NO2 DY685403 [0,0,0,1,0,1|1,0,1]=4 691 B9R2.49 C1CC2CCC1CN2 DY546099 [0,0,0,1,0,1|2,0,0]=4 692 B9R2.49 C1CN2CCC1CC2 DY753379 [0,0,0,1,0,1|2,0,0]=4 693 B9R2.50 C1CNC2CNC2C1 DY105483 [0,0,0,1,0,1|2,0,0]=4 694 B9R2.68 C1CC2CNCC1N2 NO15955 [0,0,0,1,0,1|2,0,0]=4 695 B9R2.68 C1CC2CNCC1O2 NO10860 [0,0,0,1,0,1|1,0,0]=3 696 B9R2.68 C1CC2COCC1N2 NO14923 [0,0,0,1,0,1|2,0,0]=4 697 B9R2.68 C1CC2CSCC1N2 DY526371 [0,0,0,1,0,1|2,0,0]=4 698 B9R2.68 C1CN2CC[C@H](C2)N1 DY621272 [0,0,0,1,0,1|2,0,0]=4 699 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 DY569019 [0,0,0,1,0,1|1,0,0]=3 700 B9R2.174 C1CC2(CCO1)CO2 DY784846 [0,0,0,1,0,1|1,0,0]=3 701 B9R2.174 C1CNC2(CC2)CN1 NO14777 [0,0,0,1,0,1|2,0,0]=4 702 B9R2.39 CN1C[C@H]2C[C@@H]1CN2 DY105471 [0,1,0,1,0,0|2,0,0]=4 703 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 DY573921 [0,1,0,1,0,0|2,0,0]=4 704 B9R2.39 N[C@@H]1C[C@H]2CC[C@H]1C2 DY586591 [0,1,0,1,0,0|2,0,0]=4 705 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 DY511755 [0,1,0,1,0,0|2,0,0]=4 706 B9R2.39 N[C@H]1C[C@H]2CC[C@H]1C2 DY586592 [0,1,0,1,0,0|2,0,0]=4 707 B9R2.39 O=C1CC2CC1CO2 DY506766 [0,1,0,1,0,0|0,0,1]=3 708 B9R2.39 OC1CC2CC1CN2 DY104240 [0,1,0,1,0,0|1,0,0]=3 709 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 DY556761 [0,1,0,1,0,0|1,0,0]=3 710 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 DY533415 [0,1,0,1,0,0|1,0,0]=3 711 B9R2.7 O[C@@H]1C[C@H]2NCC[C@@H]12 DY585610 [0,1,0,1,0,0|1,0,0]=3 712 B9R2.7 O[C@H]1C[C@H]2CNC[C@@H]12 DY611139 [0,1,0,1,0,0|2,0,0]=4 713 B9R2.7 O[C@H]1C[C@H]2NCC[C@@H]12 DY585611 [0,1,0,1,0,0|1,0,0]=3 714 B9R2.7 O[C@H]1C[C@H]2NCC[C@@H]12 DY585612 [0,1,0,1,0,0|1,0,0]=3 715 B9R2.7 [C@@H]12C[C@@H](O)[C@@H]1CCN2 DY585609 [0,1,0,1,0,0|1,0,0]=3 716 B9R2.3 C1CC2CNCC2C1 NO19616 [0,1,0,1,0,0|2,0,0]=4 717 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 NO11156 [0,1,0,1,0,0|2,0,0]=4 718 B9R2.3 C1C[C@H]2OCC[C@H]2N1 DY541137 [0,1,0,1,0,0|1,0,0]=3 719 B9R2.173 C1CC2(CCO2)CN1 DY102909 [0,1,0,1,0,0|2,0,0]=4 720 B9R2.173 C1CC2(CN1)COC2 DY541581 [0,1,0,1,0,0|2,0,0]=4 721 B9R2.173 C1CCC2(C1)CNC2 DY719014 [0,1,0,1,0,0|2,0,0]=4 722 B5R1.2 BrC1COC1 DY425330 [1,0,0,0,1,0|2,0,0]=4 723 B5R1.2 CC1CNC1 NO13089 [1,0,0,0,1,0|1,0,0]=3 724 B5R1.2 C[C@H]1CCN1 DY625021 [1,0,0,0,1,0|1,0,0]=3 725 B5R1.2 ClC1CCC1 DY756391 [1,0,0,0,1,0|1,0,0]=3 726 B5R1.2 ClC1CNC1 DY586642 [1,0,0,0,1,0|2,0,0]=4 727 B5R1.2 FC1CNC1 NO22297 [1,0,0,0,1,0|2,0,0]=4 728 B5R1.2 IC1CNC1 DY444286 [1,0,0,0,1,0|2,0,0]=4 729 B5R1.2 IC1COC1 DY10503 [1,0,0,0,1,0|2,0,0]=4 730 B5R1.2 NC1COC1 NO22388 [1,0,0,0,1,0|2,0,0]=4 731 B5R1.2 O=C1CCC1 DY10479 [1,0,0,0,1,0|0,0,2]=4 732 B5R1.2 O=C1CCO1 DY561045 [1,0,0,0,1,0|0,0,2]=4 733 B5R1.2 OC1CCC1 NO11176 [1,0,0,0,1,0|0,0,0]=2 734 B5R1.2 OC1CNC1 NO14687 [1,0,0,0,1,0|1,0,0]=3 735 B5R1.2 OC1COC1 NO19329 [1,0,0,0,1,0|1,0,0]=3 736 B5R1.3 BrCC1CC1 DY10481 [0,0,0,0,2,0|1,0,0]=3 737 B5R1.3 BrCC1CO1 DY822350 [0,0,0,0,2,0|1,0,0]=3 738 B5R1.3 BrC[C@H]1CO1 DY822260 [0,0,0,0,2,0|1,0,0]=3 739 B5R1.3 CC[C@H]1CO1 DY20699 [0,0,0,0,2,0|1,0,0]=3 740 B5R1.3 CNC1CC1 NO13160 [0,0,0,0,2,0|2,0,0]=4 741 B5R1.3 ClCC1CC1 NO19956 [0,0,0,0,2,0|1,0,0]=3 742 B5R1.3 ClC[C@@H]1CO1 DY20322 [0,0,0,0,2,0|1,0,0]=3 743 B5R1.3 ClC[C@H]1CO1 DY557877 [0,0,0,0,2,0|1,0,0]=3 744 B5R1.3 NCC1CC1 NO18907 [0,0,0,0,2,0|1,0,0]=3 745 B5R1.3 NNC1CC1 NO15677 [0,0,0,0,2,0|2,0,0]=4 746 B5R1.3 NNC1CC1 NO18095 [0,0,0,0,2,0|2,0,0]=4 747 B5R1.3 OCC1CC1 NO19620 [0,0,0,0,2,0|0,0,0]=2 748 B9R1.89 BrCC1COCCOC1 DY606783 [0,0,0,0,0,2|1,0,0]=3