0 B6R1.2 BrC1CCNC1 NO15742 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 CC1=CC=CS1 NO21701 [0,0,0,0,0,0|1,0,3]=4 2 B6R1.2 CC1=CN=CS1 NO10460 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 CC1=NC=CS1 NO22598 [0,0,0,0,0,0|1,0,3]=4 4 B6R1.2 CC1=NCCC1 NO21664 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 CC1CCCN1 NO21699 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 CC1CCCN1 NO21700 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 CC1CCCO1 DY20580 [0,0,0,0,0,0|1,1,0]=2 8 B6R1.2 CC1CCNC1 DY667237 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 C[C@@H]1CCCN1 NO18299 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 C[C@H]1CCCN1 NO18800 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 C[C@H]1CCCN1 NO19735 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 FC1CCNC1 NO12894 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 F[C@H]1CCNC1 NO14870 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 N=C1CCCS1 DY556065 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 NC1=NCCC1 NO19310 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 NC1CCNC1 DY572169 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 NC1CCOC1 NO12010 [0,0,0,0,0,0|4,0,0]=4 18 B6R1.2 NN1CCCC1 DY564555 [0,0,0,0,0,0|4,0,0]=4 19 B6R1.2 N[C@@H]1CCOC1 DY623409 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 N[C@@H]1CCOC1 NO13003 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 N[C@H]1CCNC1 DY508670 [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 N[C@H]1CCOC1 DY626689 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 N[C@H]1CCOC1 NO20366 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.2 O=C1CCCC1 DY21085 [0,0,0,0,0,0|3,0,1]=4 25 B6R1.2 O=C1NCCN1 NO21607 [0,0,0,0,0,0|3,0,1]=4 26 B6R1.2 O[C@@H]1CCNC1 NO16635 [0,0,0,0,0,0|4,0,0]=4 27 B6R1.2 O[C@@H]1CCNC1 NO16650 [0,0,0,0,0,0|4,0,0]=4 28 B6R1.2 O[C@@H]1CCOC1 NO20284 [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 O[C@H]1CCNC1 NO21757 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 S=C1NCCN1 DY582963 [0,0,0,0,0,0|3,0,1]=4 31 B6R1.2 S=C1NCCO1 DY561801 [0,0,0,0,0,0|2,1,1]=4 32 B6R1.2 SC1CCOC1 DY789441 [0,0,0,0,0,0|4,0,0]=4 33 B5R1.1 C1=CCNC1 DY10278 [1,0,0,0,0,0|2,0,1]=4 34 B5R1.1 C1=CCNC1 DY798015 [1,0,0,0,0,0|2,0,1]=4 35 B5R1.1 C1=NCCO1 DY793809 [1,0,0,0,0,0|1,1,1]=4 36 B5R1.1 C1CNNC1 NO16750 [1,0,0,0,0,0|3,0,0]=4 37 B5R1.1 C1COCO1 DY822673 [1,0,0,0,0,0|0,2,0]=3 38 B7R1.1 BrCC1CCCC1 DY20145 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.1 BrCC1OCCO1 NO21401 [0,1,0,0,0,0|0,2,0]=3 40 B7R1.1 C#CC1CCCC1 DY822738 [0,1,0,0,0,0|2,0,1]=4 41 B7R1.1 C#CC1CCCO1 DY586043 [0,1,0,0,0,0|1,1,1]=4 42 B7R1.1 CCC1CCCN1 DY738230 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 CCC1CCNC1 DY585732 [0,1,0,0,0,0|3,0,0]=4 44 B7R1.1 CNC1CCCC1 DY757231 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.1 CNC1CCOC1 DY579885 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.1 COC1=NCCC1 NO10423 [0,1,0,0,0,0|2,0,1]=4 48 B7R1.1 COC1CCCC1 DY459258 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.1 COC1CCNC1 NO22350 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,1,0,0,0,0|3,0,0]=4 52 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.1 FC[C@@H]1CCCN1 DY100102 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.1 NCC1CCCC1 NO14873 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 NCC1CCCN1 NO15469 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.1 NC[C@H]1CCCN1 NO15745 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,1,0,0,0,0|3,0,0]=4 58 B7R1.1 NNC1CCCC1 DY543699 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.1 O=CC1CCCC1 DY21048 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.1 O=C[C@@H]1CCCN1 DY626191 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.1 OCC1CCCC1 NO11185 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.1 OCC1CCCN1 DY556821 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.1 OCC1CCCN1 DY668415 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.1 OCC1CCCO1 DY20392 [0,1,0,0,0,0|1,1,0]=3 65 B7R1.1 OCC1CCNC1 NO11284 [0,1,0,0,0,0|3,0,0]=4 66 B7R1.1 OCC1CCNC1 NO16764 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.1 OCC1CCNC1 NO18341 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.1 OC[C@@H]1CCCN1 NO22640 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.1 OC[C@H]1CCCN1 NO17003 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.1 OC[C@H]1CCCO1 DY542355 [0,1,0,0,0,0|1,1,0]=3 72 B7R1.2 CC1CCC(=O)N1 DY505299 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.2 CC1CCC(C)N1 DY585723 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.2 CN1CC[C@@H](N)C1 DY626972 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.2 CN1CC[C@H](Cl)C1 DY625207 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.2 CN1CC[C@H](N)C1 DY623927 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.2 NC1CCC(O)C1 NO14798 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.2 N[C@@H]1CC[C@@H](F)C1 DY519405 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.2 N[C@H]1CC[C@@H](F)C1 DY757213 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.4 BrC1CCCC1Br DY585689 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.4 CC1CCCC1O DY757267 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.4 CC1CCOC1=O DY759320 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.4 CC1OCCC1=O NO14135 [0,1,0,0,0,0|1,1,0]=3 90 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,1,0,0,0,0|3,0,0]=4 91 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,1,0,0,0,0|3,0,0]=4 92 B7R1.4 NC1CCCC1O NO19404 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.4 N[C@H]1CCC[C@@H]1N DY620340 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.4 O=C1CCCC1Cl DY567621 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.4 O[C@@H]1CCC[C@H]1F DY518337 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.4 O[C@@H]1CCC[C@H]1O DY557241 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.14 CC1(Br)CCCC1 DY585925 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.14 CC1(C)COCN1 DY557637 [0,1,0,0,0,0|3,0,0]=4 103 B7R1.14 CC1(C)NCCS1 NO22651 [0,1,0,0,0,0|1,0,0]=2 104 B7R1.14 CC1(C)OCCO1 DY822372 [0,1,0,0,0,0|0,2,0]=3 105 B7R1.14 CC1(N)CCCC1 DY502389 [0,1,0,0,0,0|2,0,0]=3 106 B7R1.14 CC1(O)CCCC1 NO20768 [0,1,0,0,0,0|2,0,0]=3 107 B5R0.1 CC(C)CCBr DY460632 [0,0,1,0,0,0|3,0,0]=4 108 B5R0.1 CC(N)CCO NO22096 [0,0,1,0,0,0|3,0,0]=4 109 B5R0.1 CCCC(C)=O NO21731 [0,0,1,0,0,0|1,1,1]=4 110 B5R0.1 CCCC(C)O DY741013 [0,0,1,0,0,0|1,1,0]=3 111 B5R0.1 CCNC(C)=O DY564051 [0,0,1,0,0,0|1,1,1]=4 112 B5R0.1 CCOC(C)=N DY500026 [0,0,1,0,0,0|1,1,1]=4 113 B5R0.1 CCSC(=N)N DY505011 [0,0,1,0,0,0|2,0,1]=4 114 B5R0.1 COCC(C)O NO20741 [0,0,1,0,0,0|2,1,0]=4 115 B5R0.1 COC[C@@H](C)O NO20249 [0,0,1,0,0,0|2,1,0]=4 116 B5R0.1 COC[C@H](C)N DY623421 [0,0,1,0,0,0|3,0,0]=4 117 B5R0.1 COC[C@H](C)O NO20309 [0,0,1,0,0,0|2,1,0]=4 118 B5R0.1 C[C@@H](N)CCO NO14355 [0,0,1,0,0,0|3,0,0]=4 119 B5R0.1 C[C@H](N)CCO DY625189 [0,0,1,0,0,0|3,0,0]=4 120 B5R0.1 C[C@H](N)CCO NO14356 [0,0,1,0,0,0|3,0,0]=4 121 B5R0.1 C\C=C\[C@H](C)O DY791877 [0,0,1,0,0,0|1,1,1]=4 122 B5R0.2 CCC#CCC DY740797 [0,0,1,0,0,0|2,0,1]=4 123 B5R0.2 CCCCCBr NO20657 [0,0,1,0,0,0|2,0,0]=3 124 B5R0.2 CCCC[Mg]Cl DY567561 [0,0,1,0,0,0|3,0,0]=4 125 B5R0.2 CCOCCBr NO21396 [0,0,1,0,0,0|1,1,0]=3 126 B5R0.2 CC\C=C\CO DY527871 [0,0,1,0,0,0|1,1,1]=4 127 B5R0.2 CNCCCO NO14200 [0,0,1,0,0,0|2,1,0]=4 128 B5R0.2 COCCCBr NO20649 [0,0,1,0,0,0|3,0,0]=4 129 B5R0.2 COCCCO NO20039 [0,0,1,0,0,0|2,1,0]=4 130 B5R0.2 CSCCCO DY557199 [0,0,1,0,0,0|2,1,0]=4 131 B5R0.2 C\C=C\CCO DY799773 [0,0,1,0,0,0|1,1,1]=4 132 B5R0.2 FCCCCF DY822299 [0,0,1,0,0,0|3,0,0]=4 133 B5R0.2 NCCCCBr NO14979 [0,0,1,0,0,0|3,0,0]=4 134 B5R0.2 NCCCCN NO19906 [0,0,1,0,0,0|3,0,0]=4 135 B5R0.2 OCCCCF DY822291 [0,0,1,0,0,0|2,1,0]=4 136 B5R0.3 CC[C@H](C)C#N DY822231 [0,0,1,0,0,0|3,0,0]=4 137 B5R0.3 CO[C@H](C)CN DY622119 [0,0,1,0,0,0|2,1,0]=4 138 B5R0.3 CO[C@H](C)CN NO17733 [0,0,1,0,0,0|2,1,0]=4 139 B5R0.3 CO[C@H](C)CO NO12306 [0,0,1,0,0,0|2,1,0]=4 140 B5R1.2 BrC1COC1 DY425330 [0,0,0,0,1,0|3,0,0]=4 141 B5R1.2 CC1CNC1 NO13089 [0,0,0,0,1,0|2,0,0]=3 142 B5R1.2 C[C@H]1CCN1 DY625021 [0,0,0,0,1,0|1,0,0]=2 143 B5R1.2 ClC1CCC1 DY756391 [0,0,0,0,1,0|2,0,0]=3 144 B5R1.2 ClC1CNC1 DY586642 [0,0,0,0,1,0|3,0,0]=4 145 B5R1.2 FC1CNC1 NO22297 [0,0,0,0,1,0|3,0,0]=4 146 B5R1.2 IC1CNC1 DY444286 [0,0,0,0,1,0|3,0,0]=4 147 B5R1.2 IC1COC1 DY10503 [0,0,0,0,1,0|3,0,0]=4 148 B5R1.2 NC1COC1 NO22388 [0,0,0,0,1,0|3,0,0]=4 149 B5R1.2 O=C1CCC1 DY10479 [0,0,0,0,1,0|2,0,1]=4 150 B5R1.2 O=C1CCO1 DY561045 [0,0,0,0,1,0|1,1,1]=4 151 B5R1.2 OC1CCC1 NO11176 [0,0,0,0,1,0|2,0,0]=3 152 B5R1.2 OC1CNC1 NO14687 [0,0,0,0,1,0|3,0,0]=4 153 B5R1.2 OC1COC1 NO19329 [0,0,0,0,1,0|3,0,0]=4 154 B7R1.3 BrC1CCCCC1 NO11079 [0,0,0,0,0,1|3,0,0]=4 155 B7R1.3 BrC1CCNCC1 NO18356 [0,0,0,0,0,1|3,0,0]=4 156 B7R1.3 BrC1CCOCC1 NO18193 [0,0,0,0,0,1|3,0,0]=4 157 B7R1.3 CC1C=CCCO1 DY560079 [0,0,0,0,0,1|1,1,0]=3 158 B7R1.3 CC1CCCCN1 DY20418 [0,0,0,0,0,1|2,0,0]=3 159 B7R1.3 CC1CNCCN1 NO13503 [0,0,0,0,0,1|2,0,0]=3 160 B7R1.3 CC1CNCCO1 NO21692 [0,0,0,0,0,1|1,1,0]=3 161 B7R1.3 CC1COCCN1 NO22371 [0,0,0,0,0,1|1,1,0]=3 162 B7R1.3 CN1CCNCC1 DY20458 [0,0,0,0,0,1|3,0,0]=4 163 B7R1.3 C[C@@H]1CCCNC1 NO16133 [0,0,0,0,0,1|2,0,0]=3 164 B7R1.3 C[C@@H]1CNCCN1 DY622137 [0,0,0,0,0,1|2,0,0]=3 165 B7R1.3 C[C@@H]1CNCCN1 NO17164 [0,0,0,0,0,1|2,0,0]=3 166 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,0,0,0,0,1|1,1,0]=3 167 B7R1.3 C[C@@H]1COCCN1 NO14856 [0,0,0,0,0,1|1,1,0]=3 168 B7R1.3 C[C@@H]1COCCN1 NO20285 [0,0,0,0,0,1|1,1,0]=3 169 B7R1.3 C[C@H]1CNCCN1 NO17167 [0,0,0,0,0,1|2,0,0]=3 170 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,0,0,0,0,1|1,1,0]=3 171 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,0,0,0,0,1|1,1,0]=3 172 B7R1.3 C[C@H]1COCCN1 DY20820 [0,0,0,0,0,1|1,1,0]=3 173 B7R1.3 C[C@H]1COCCN1 NO22413 [0,0,0,0,0,1|1,1,0]=3 174 B7R1.3 ClC1CCCOC1 DY586426 [0,0,0,0,0,1|2,1,0]=4 175 B7R1.3 FC1CCNCC1 NO22845 [0,0,0,0,0,1|3,0,0]=4 176 B7R1.3 IC1CCNCC1 DY638708 [0,0,0,0,0,1|3,0,0]=4 177 B7R1.3 IC1CCOCC1 NO18194 [0,0,0,0,0,1|3,0,0]=4 178 B7R1.3 NC1C=CCCC1 DY608404 [0,0,0,0,0,1|3,0,0]=4 179 B7R1.3 NC1CCCNC1 NO22655 [0,0,0,0,0,1|3,0,0]=4 180 B7R1.3 NC1CCOCC1 NO16997 [0,0,0,0,0,1|3,0,0]=4 181 B7R1.3 NC1CCSCC1 DY541371 [0,0,0,0,0,1|3,0,0]=4 182 B7R1.3 N[C@@H]1CCCNC1 NO17178 [0,0,0,0,0,1|3,0,0]=4 183 B7R1.3 N[C@@H]1CCCOC1 DY517515 [0,0,0,0,0,1|2,1,0]=4 184 B7R1.3 N[C@H]1CCCNC1 NO17182 [0,0,0,0,0,1|3,0,0]=4 185 B7R1.3 OC1CCCNC1 NO22642 [0,0,0,0,0,1|3,0,0]=4 186 B7R1.3 OC1CCCOC1 NO17782 [0,0,0,0,0,1|2,1,0]=4 187 B7R1.3 OC1CCNCC1 NO22643 [0,0,0,0,0,1|3,0,0]=4 188 B7R1.3 OC1CCOCC1 NO13929 [0,0,0,0,0,1|3,0,0]=4 189 B7R1.3 OC1CCSCC1 NO12012 [0,0,0,0,0,1|3,0,0]=4 190 B7R1.3 O[C@@H]1CCCNC1 NO17016 [0,0,0,0,0,1|3,0,0]=4 191 B7R1.3 O[C@H]1CCCNC1 NO17020 [0,0,0,0,0,1|3,0,0]=4 192 B7R1.3 SC1CCOCC1 DY107026 [0,0,0,0,0,1|3,0,0]=4 193 B4R0.1 CC(C)CO DY740701 [1,0,1,0,0,0|2,0,0]=4 194 B4R0.1 CC(C)NN NO11525 [1,0,1,0,0,0|2,0,0]=4 195 B4R0.1 CC(C)ON NO13668 [1,0,1,0,0,0|1,1,0]=4 196 B4R0.1 CC(Cl)CCl DY822285 [1,0,1,0,0,0|2,0,0]=4 197 B4R0.1 CC(N)CO NO21310 [1,0,1,0,0,0|2,0,0]=4 198 B4R0.1 CC(O)CCl DY586846 [1,0,1,0,0,0|1,1,0]=4 199 B4R0.1 CCC(C)I DY740911 [1,0,1,0,0,0|1,0,0]=3 200 B4R0.1 C[C@@H](Cl)CO NO20251 [1,0,1,0,0,0|2,0,0]=4 201 B4R0.1 C[C@@H](N)CN DY10147 [1,0,1,0,0,0|2,0,0]=4 202 B4R0.1 C[C@@H](N)CO NO14182 [1,0,1,0,0,0|2,0,0]=4 203 B4R0.1 C[C@@H](O)CCl DY20696 [1,0,1,0,0,0|1,1,0]=4 204 B4R0.1 C[C@@H](O)CO DY20330 [1,0,1,0,0,0|1,1,0]=4 205 B4R0.1 C[C@H](N)CN NO20323 [1,0,1,0,0,0|2,0,0]=4 206 B4R0.1 C[C@H](N)CO DY624919 [1,0,1,0,0,0|2,0,0]=4 207 B4R0.1 C[C@H](N)CO NO19476 [1,0,1,0,0,0|2,0,0]=4 208 B4R0.1 C[C@H](O)CCl DY20697 [1,0,1,0,0,0|1,1,0]=4 209 B4R0.1 C[C@H](O)CN NO14075 [1,0,1,0,0,0|1,1,0]=4 210 B4R0.2 BrCCCBr DY459264 [1,0,1,0,0,0|2,0,0]=4 211 B4R0.2 CCCCBr DY460620 [1,0,1,0,0,0|1,0,0]=3 212 B4R0.2 CCNCC NO11240 [1,0,1,0,0,0|1,0,0]=3 213 B4R0.2 CNCCBr DY584482 [1,0,1,0,0,0|2,0,0]=4 214 B4R0.2 CNCCO NO20910 [1,0,1,0,0,0|1,1,0]=4 215 B4R0.2 COCCBr DY578823 [1,0,1,0,0,0|1,1,0]=4 216 B4R0.2 COCCN DY822486 [1,0,1,0,0,0|1,1,0]=4 217 B4R0.2 COCCO DY457570 [1,0,1,0,0,0|0,2,0]=4 218 B4R0.2 CSCSC DY528795 [1,0,1,0,0,0|0,0,0]=2 219 B4R0.2 FCCCF DY822298 [1,0,1,0,0,0|2,0,0]=4 220 B4R0.2 ICCCI DY564171 [1,0,1,0,0,0|2,0,0]=4 221 B4R0.2 NCCCBr NO22190 [1,0,1,0,0,0|2,0,0]=4 222 B4R0.2 OCCCF DY822290 [1,0,1,0,0,0|1,1,0]=4 223 B4R0.2 SCCCS DY740347 [1,0,1,0,0,0|1,0,0]=3 224 B4R0.2 [Li]CCCC DY790335 [1,0,1,0,0,0|1,0,0]=3 225 B6R0.1 CCCC(C)CBr DY112368 [0,1,1,0,0,0|2,0,0]=4 226 B6R0.1 CCCC(O)CO NO20495 [0,1,1,0,0,0|1,1,0]=4 227 B6R0.2 CC(C)CC(C)N DY822361 [0,1,1,0,0,0|2,0,0]=4 228 B6R0.4 CC(C)CCCBr DY740443 [0,1,1,0,0,0|2,0,0]=4 229 B6R0.4 CC(C)NCCN DY20461 [0,1,1,0,0,0|2,0,0]=4 230 B6R0.4 CCCCC(C)O DY740779 [0,1,1,0,0,0|1,1,0]=4 231 B6R0.4 CCNCC(C)C DY564723 [0,1,1,0,0,0|2,0,0]=4 232 B6R0.4 CNCCC(C)C DY543681 [0,1,1,0,0,0|2,0,0]=4 233 B6R0.4 CNCCC(C)C DY553713 [0,1,1,0,0,0|2,0,0]=4 234 B6R0.6 BrCCNCCBr NO11032 [0,1,1,0,0,0|2,0,0]=4 235 B6R0.6 CCCCSCC DY740893 [0,1,1,0,0,0|1,0,0]=3 236 B6R0.6 CCCOCCO DY740785 [0,1,1,0,0,0|0,2,0]=4 237 B6R0.6 CNCCCCBr DY741283 [0,1,1,0,0,0|2,0,0]=4 238 B6R0.6 CNCCCCO DY554133 [0,1,1,0,0,0|1,1,0]=4 239 B6R0.6 COCCCCBr NO22933 [0,1,1,0,0,0|2,0,0]=4 240 B6R0.6 COCCCCO DY741295 [0,1,1,0,0,0|1,1,0]=4 241 B6R0.6 ClCCCCCBr DY559653 [0,1,1,0,0,0|2,0,0]=4 242 B6R0.6 ClCCNCCCl NO16038 [0,1,1,0,0,0|2,0,0]=4 243 B6R0.6 FCCCCCBr NO14708 [0,1,1,0,0,0|2,0,0]=4 244 B6R0.6 FCCCCCF DY822300 [0,1,1,0,0,0|2,0,0]=4 245 B6R0.6 NCCCCCN NO19074 [0,1,1,0,0,0|2,0,0]=4 246 B6R0.6 NCCNCCN DY740695 [0,1,1,0,0,0|2,0,0]=4 247 B6R0.6 NCCNCCO DY506670 [0,1,1,0,0,0|1,1,0]=4 248 B6R0.6 OCCCCCCl NO14778 [0,1,1,0,0,0|1,1,0]=4 249 B6R0.6 OCCCCCF DY822292 [0,1,1,0,0,0|1,1,0]=4 250 B6R0.6 OCCCCCO NO20549 [0,1,1,0,0,0|1,1,0]=4 251 B6R0.6 OCCNCCCl DY544797 [0,1,1,0,0,0|1,1,0]=4 252 B6R0.9 CCC(CN)OC DY610294 [0,1,1,0,0,0|1,1,0]=4 253 B6R1.4 CC1OCC1N DY732961 [0,1,0,0,1,0|0,1,0]=3 254 B6R1.4 C[C@@H]1NC[C@H]1O DY519399 [0,1,0,0,1,0|1,0,0]=3 255 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [0,1,0,0,1,0|0,1,0]=3 256 B6R1.4 O[C@H]1CC[C@H]1O DY756385 [0,1,0,0,1,0|2,0,0]=4 257 B6R1.5 CC1CC(N)C1 DY105778 [0,1,0,0,1,0|1,0,0]=3 258 B6R1.5 CC1CC(O)C1 DY539301 [0,1,0,0,1,0|1,0,0]=3 259 B6R1.5 CN1CC(N)C1 DY444125 [0,1,0,0,1,0|2,0,0]=4 260 B6R1.5 NC1CC(N)C1 DY103595 [0,1,0,0,1,0|2,0,0]=4 261 B6R1.5 N[C@H]1C[C@@H](O)C1 DY105248 [0,1,0,0,1,0|2,0,0]=4 262 B6R1.6 BrCC1CCC1 DY10470 [0,1,0,0,1,0|1,0,0]=3 263 B6R1.6 COC1CNC1 NO17370 [0,1,0,0,1,0|2,0,0]=4 264 B6R1.6 NCC1CCC1 DY554907 [0,1,0,0,1,0|1,0,0]=3 265 B6R1.6 NCC1CCC1 NO11178 [0,1,0,0,1,0|1,0,0]=3 266 B6R1.6 NCC1CCS1 DY585795 [0,1,0,0,1,0|0,0,0]=2 267 B6R1.6 NCC1CNC1 DY508838 [0,1,0,0,1,0|2,0,0]=4 268 B6R1.6 NCC1COC1 DY10517 [0,1,0,0,1,0|2,0,0]=4 269 B6R1.6 NNC1CCC1 DY527943 [0,1,0,0,1,0|2,0,0]=4 270 B6R1.6 OCC1CCO1 NO15009 [0,1,0,0,1,0|0,1,0]=3 271 B6R1.6 OCC1CNC1 NO12891 [0,1,0,0,1,0|2,0,0]=4 272 B6R1.6 OCC1COC1 NO14670 [0,1,0,0,1,0|2,0,0]=4 273 B6R1.6 OC[C@@H]1CCN1 NO15230 [0,1,0,0,1,0|1,0,0]=3 274 B6R1.10 CC1(N)COC1 DY444292 [0,1,0,0,1,0|2,0,0]=4 275 B6R1.10 CC1(N)COC1 NO14859 [0,1,0,0,1,0|2,0,0]=4 276 B6R1.10 CC1(N)CSC1 DY113158 [0,1,0,0,1,0|2,0,0]=4 277 B6R1.10 CC1(O)CNC1 NO15502 [0,1,0,0,1,0|2,0,0]=4 278 B8R1.2 BrCC1CCCCC1 NO19887 [0,1,0,0,0,1|2,0,0]=4 279 B8R1.2 BrCC1CCNCC1 DY586644 [0,1,0,0,0,1|2,0,0]=4 280 B8R1.2 BrCC1CCOCC1 DY514587 [0,1,0,0,0,1|2,0,0]=4 281 B8R1.2 BrC[C@@H]1COCCO1 DY585231 [0,1,0,0,0,1|0,2,0]=4 282 B8R1.2 CCC1CCNCC1 DY602027 [0,1,0,0,0,1|2,0,0]=4 283 B8R1.2 CCC1CNCCO1 DY731791 [0,1,0,0,0,1|1,1,0]=4 284 B8R1.2 CC[C@@H]1CCCCN1 DY622095 [0,1,0,0,0,1|2,0,0]=4 285 B8R1.2 CC[C@@H]1CNCCO1 DY444035 [0,1,0,0,0,1|1,1,0]=4 286 B8R1.2 CC[C@@H]1COCCN1 DY20812 [0,1,0,0,0,1|1,1,0]=4 287 B8R1.2 CC[C@H]1CCCCN1 DY624979 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.2 CNC1CCNCC1 DY512505 [0,1,0,0,0,1|2,0,0]=4 289 B8R1.2 CNC1CCNCC1 DY641666 [0,1,0,0,0,1|2,0,0]=4 290 B8R1.2 CNC1CCOCC1 NO15192 [0,1,0,0,0,1|2,0,0]=4 291 B8R1.2 ClCC1CCCCC1 DY788085 [0,1,0,0,0,1|2,0,0]=4 292 B8R1.2 ClCC1CCCOC1 DY585697 [0,1,0,0,0,1|1,1,0]=4 293 B8R1.2 FC[C@@H]1CCCCN1 DY586647 [0,1,0,0,0,1|2,0,0]=4 294 B8R1.2 ICC1CCCCN1 DY635594 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.2 NCC1CCCCC1 DY20908 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.2 NCC1CCCNC1 DY568713 [0,1,0,0,0,1|2,0,0]=4 297 B8R1.2 NCC1CCCNC1 DY641787 [0,1,0,0,0,1|2,0,0]=4 298 B8R1.2 NCC1CCCOC1 NO18439 [0,1,0,0,0,1|1,1,0]=4 299 B8R1.2 NCC1CCOCC1 NO18584 [0,1,0,0,0,1|2,0,0]=4 300 B8R1.2 NCC1CCSCC1 DY102976 [0,1,0,0,0,1|2,0,0]=4 301 B8R1.2 NCC1CNCCN1 DY517005 [0,1,0,0,0,1|2,0,0]=4 302 B8R1.2 NCC1COCCN1 DY580905 [0,1,0,0,0,1|1,1,0]=4 303 B8R1.2 NC[C@H]1CCCOC1 DY105501 [0,1,0,0,0,1|1,1,0]=4 304 B8R1.2 O=CC1CCCSC1 DY563535 [0,1,0,0,0,1|1,0,1]=4 305 B8R1.2 OCC1CCCCC1 DY20144 [0,1,0,0,0,1|2,0,0]=4 306 B8R1.2 OCC1CCCCN1 NO21780 [0,1,0,0,0,1|2,0,0]=4 307 B8R1.2 OCC1CCCNC1 NO22817 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.2 OCC1CCNCC1 NO22819 [0,1,0,0,0,1|2,0,0]=4 309 B8R1.2 OCC1CNCCO1 NO15312 [0,1,0,0,0,1|1,1,0]=4 310 B8R1.2 OC[C@@H]1CNCCO1 NO14518 [0,1,0,0,0,1|1,1,0]=4 311 B8R1.2 OC[C@@H]1COCCN1 DY539919 [0,1,0,0,0,1|1,1,0]=4 312 B8R1.2 OC[C@@H]1COCCN1 NO15269 [0,1,0,0,0,1|1,1,0]=4 313 B8R1.2 OC[C@H]1CCCNC1 NO15958 [0,1,0,0,0,1|2,0,0]=4 314 B8R1.2 OC[C@H]1COCCN1 NO15280 [0,1,0,0,0,1|1,1,0]=4 315 B8R1.3 CC1CCC(O)CC1 DY562059 [0,1,0,0,0,1|2,0,0]=4 316 B8R1.3 CC1CCN(N)CC1 DY535737 [0,1,0,0,0,1|2,0,0]=4 317 B8R1.3 C[C@H]1CC[C@@H](O)CN1 DY542115 [0,1,0,0,0,1|2,0,0]=4 318 B8R1.3 C[C@H]1CN[C@H](C)CN1 NO14078 [0,1,0,0,0,1|2,0,0]=4 319 B8R1.3 C[C@H]1CO[C@@H](C)CN1 DY107002 [0,1,0,0,0,1|1,1,0]=4 320 B8R1.3 C[C@H]1CO[C@H](C)CN1 DY620618 [0,1,0,0,0,1|1,1,0]=4 321 B8R1.4 CC1=CC(C)OCC1 DY560031 [0,1,0,0,0,1|1,1,0]=4 322 B8R1.4 CC1CCCN(N)C1 DY774663 [0,1,0,0,0,1|2,0,0]=4 323 B8R1.4 CC1CCNC(C)C1 NO21125 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.4 CC1CNCC(C)C1 NO14191 [0,1,0,0,0,1|2,0,0]=4 325 B8R1.4 CC1CNCC(C)N1 NO18625 [0,1,0,0,0,1|2,0,0]=4 326 B8R1.4 CC1CSCC(C)N1 DY738722 [0,1,0,0,0,1|1,0,0]=3 327 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.4 C[C@@H]1CCC[C@H](O)C1 DY757141 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.4 C[C@H]1CNC[C@@H](C)N1 NO21187 [0,1,0,0,0,1|2,0,0]=4 330 B8R1.4 C[C@H]1CNC[C@@H](C)O1 DY459894 [0,1,0,0,0,1|1,1,0]=4 331 B8R1.4 C[C@H]1CNC[C@H](C)N1 DY103637 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.4 C[C@H]1C[C@@H](O)CCN1 DY102289 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.5 CC1CNCCC1O DY549411 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.5 CC1NCCNC1=O DY543543 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.5 C[C@@H]1COCC[C@@H]1N DY567579 [0,1,0,0,0,1|1,1,0]=4 336 B8R1.5 C[C@H]1CCCC[C@H]1N DY540861 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.5 C[C@H]1CCNC[C@H]1O DY103745 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.72 CC1(Br)CCCCC1 DY584406 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.72 CC1(C)CCCNC1 DY510344 [0,1,0,0,0,1|2,0,0]=4 340 B8R1.72 CC1(C)CCNCC1 DY586635 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.72 CC1(C)CCNCC1 NO13819 [0,1,0,0,0,1|2,0,0]=4 342 B8R1.72 CC1(C)CNCCN1 NO18507 [0,1,0,0,0,1|2,0,0]=4 343 B8R1.72 CC1(C)COCCN1 NO21909 [0,1,0,0,0,1|1,1,0]=4 344 B8R1.72 CC1(N)CCOCC1 NO14346 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.72 CC1(O)CCOCC1 NO12641 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.1 C[C@@H]1CN[C@H](CO)C1 DY620034 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 DY582081 [0,2,0,0,0,0|2,0,0]=4 348 B8R1.1 OCC1CC(O)CO1 DY759500 [0,2,0,0,0,0|1,1,0]=4 349 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 NO20184 [0,2,0,0,0,0|2,0,0]=4 350 B8R1.1 OC[C@H]1C[C@@H](O)CN1 DY664628 [0,2,0,0,0,0|2,0,0]=4 351 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,2,0,0,0,0|2,0,0]=4 352 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.7 CC(=O)C1CCCO1 DY586599 [0,2,0,0,0,0|1,1,0]=4 354 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [0,2,0,0,0,0|2,0,0]=4 355 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [0,2,0,0,0,0|1,1,0]=4 356 B8R1.7 CC(N)C1CCCO1 DY580113 [0,2,0,0,0,0|1,1,0]=4 357 B8R1.7 CC(O)C1CCCC1 DY757207 [0,2,0,0,0,0|2,0,0]=4 358 B8R1.7 FC(F)[C@H]1CCCN1 DY621939 [0,2,0,0,0,0|2,0,0]=4 359 B8R1.7 O=C(O)C1NCCS1 NO16514 [0,2,0,0,0,0|1,0,1]=4 360 B8R1.8 BrCCC1OCCO1 NO18251 [0,2,0,0,0,0|0,2,0]=4 361 B8R1.8 COCC1CCCN1 DY571095 [0,2,0,0,0,0|2,0,0]=4 362 B8R1.8 COC[C@@H]1CCCN1 NO20310 [0,2,0,0,0,0|2,0,0]=4 363 B8R1.8 N#CCC1CCCO1 DY759470 [0,2,0,0,0,0|1,1,0]=4 364 B8R1.8 NCCC1OCCO1 DY758978 [0,2,0,0,0,0|0,2,0]=4 365 B8R1.11 CN1CCCC1CO NO14186 [0,2,0,0,0,0|2,0,0]=4 366 B8R1.11 CN1CCC[C@H]1CCl DY664952 [0,2,0,0,0,0|2,0,0]=4 367 B8R1.11 CN1CCC[C@H]1CO NO22816 [0,2,0,0,0,0|2,0,0]=4 368 B8R1.11 C[C@@H]1NCC[C@@H]1CO DY664706 [0,2,0,0,0,0|2,0,0]=4 369 B8R1.11 NN1CCC[C@H]1CO DY623433 [0,2,0,0,0,0|2,0,0]=4 370 B8R1.52 CC1(CN)CCCC1 DY585763 [0,2,0,0,0,0|2,0,0]=4 371 B8R1.52 CC1(CO)CCCO1 DY585353 [0,2,0,0,0,0|1,1,0]=4 372 B8R1.52 CCC1(N)CCCC1 DY603592 [0,2,0,0,0,0|2,0,0]=4 373 B8R1.52 NCC1(F)CCCC1 DY584015 [0,2,0,0,0,0|2,0,0]=4 374 B8R1.52 NCC1(O)CCCC1 NO15390 [0,2,0,0,0,0|2,0,0]=4 375 B8R1.50 CC1C(=O)CCC1=O NO21655 [0,2,0,0,0,0|2,0,0]=4 376 B8R1.19 CC1(C)CCCC1N DY540435 [0,2,0,0,0,0|2,0,0]=4 377 B6R1.11 CC(N)C1CC1 DY528885 [0,0,1,1,0,0|2,0,0]=4 378 B6R1.11 CC(O)C1CC1 DY757429 [0,0,1,1,0,0|1,1,0]=4 379 B6R1.11 C[C@H](N)C1CC1 DY623903 [0,0,1,1,0,0|2,0,0]=4 380 B6R1.1 C1=CCSCC1 DY427366 [0,0,1,1,0,0|1,0,1]=4 381 B6R1.1 C1CCNCC1 DY822173 [0,0,1,1,0,0|2,0,0]=4 382 B6R1.1 C1CCSCC1 DY822278 [0,0,1,1,0,0|1,0,0]=3 383 B6R1.1 C1COCCN1 DY20726 [0,0,1,1,0,0|1,1,0]=4 384 B6R1.1 C1CSCCN1 DY20759 [0,0,1,1,0,0|1,0,0]=3 385 B8R2.34 C1=CC2CC1CN2 DY566295 [0,0,0,1,0,1|2,0,0]=4 386 B8R2.34 C1=CC2CCC1C2 NO11805 [0,0,0,1,0,1|2,0,0]=4 387 B8R2.34 C1CC2CCC1C2 DY753433 [0,0,0,1,0,1|2,0,0]=4 388 B8R2.34 C1C[C@H]2CC1CN2 DY620286 [0,0,0,1,0,1|2,0,0]=4 389 B8R2.34 C1NC2CNC1C2 DY566511 [0,0,0,1,0,1|2,0,0]=4 390 B8R2.34 C1NC2CNC1C2 DY685187 [0,0,0,1,0,1|2,0,0]=4 391 B8R2.34 C1O[C@@H]2CN[C@H]1C2 NO12565 [0,0,0,1,0,1|1,1,0]=4 392 B8R2.34 C1O[C@H]2CN[C@@H]1C2 DY103903 [0,0,0,1,0,1|1,1,0]=4 393 B4R1.1 C1CNC1 NO14211 [1,0,0,0,1,0|1,0,0]=3 394 B4R1.2 BrC1CC1 NO19063 [0,0,0,0,2,0|1,0,0]=3 395 B8R1.22 CC1CCOCCN1 DY685698 [0,0,0,0,0,2|1,1,0]=4