0 B5R0.4 C#CC(C)(C)Cl DY460572 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.4 C=CC(C)(C)Br DY575625 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.4 C=CC(C)(C)C DY822271 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.4 C=C[B-](F)(F)F NO11877 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.4 C=C[Si](C)(C)C DY570321 [0,0,0,0,0,0|1,1,0]=2 5 B5R0.4 CC(C)(Br)CBr DY796695 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.4 CC(C)(C)C#N DY10368 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.4 CC(C)(C)CN NO11775 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.4 CC(C)(C)N=O DY822750 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.4 CC(C)(C)OO DY741391 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.4 CC(C)(C)[Mg]Cl DY566799 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.4 CC(C)(N)C#N DY536241 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.4 CC(C)(N)C#N NO15395 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.4 CC(C)(O)CN NO20593 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.4 CCC(C)(C)[O-] DY822652 [0,0,0,0,0,0|0,0,3]=3 15 B5R0.4 CCC(C)(C)[O-] DY822653 [0,0,0,0,0,0|0,0,3]=3 16 B5R0.4 O=CC(Br)(Br)Br DY822347 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.1 C=CC(N)=O DY822472 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 CC(C)=NO NO10884 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(C)CO DY740701 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 CC(C)NN NO11525 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CC(C)ON NO13668 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CC(Cl)CCl DY822285 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(N)C#N DY568905 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(N)C#N DY741121 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC(N)CO NO21310 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CC(O)CCl DY586846 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CCC(C)I DY740911 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 C[C@@H](Cl)CO NO20251 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C[C@@H](N)CN DY10147 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C[C@@H](N)CO NO14182 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C[C@@H](O)CCl DY20696 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 C[C@@H](O)CO DY20330 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 C[C@H](N)CN NO20323 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 C[C@H](N)CO DY624919 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C[C@H](N)CO NO19476 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C[C@H](O)C#N DY822232 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 C[C@H](O)CCl DY20697 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 C[C@H](O)CN NO14075 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 C\C=C(/C)Br DY10255 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.3 CC(C)(C)N DY822615 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.3 CC(C)(C)[O-] DY21066 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.3 C[As](C)(=O)[O-] DY822397 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.3 C[N+](C)(C)C DY551763 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.3 C[N+](C)(C)C DY822810 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.3 C[N+](C)(C)C DY822819 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.3 C[N+](C)(C)C NO12014 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.3 C[N+](C)(C)C NO12015 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.3 C[S+](C)(C)=O DY822545 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.3 C[S+](C)(C)=O NO12054 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.5 CC(C)(C)CC=O DY20142 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.5 CC(C)(C)CCO NO21905 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.5 CC(C)(O)CCBr NO15788 [0,1,0,0,0,0|0,0,2]=3 53 B6R0.5 FC(F)(F)\C=C\Br DY791661 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.5 FC(F)(F)\C=C\Cl DY793803 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.7 C=C(Cl)C(F)(F)F DY456904 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.7 CC(=O)C(C)(C)Cl DY741007 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.7 CC(C)(Br)C(=O)O NO21332 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.7 CC(C)(C)C(=O)O NO11866 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.7 CC(C)(C)C(=O)[O-] DY504753 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.7 CC(C)(C)P(Cl)Cl DY544929 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.7 CC(C)(C)[S@@](N)=O NO22549 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.7 CC(C)(C)[S@](N)=O NO13893 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.7 CC(C)(N)C(=O)O NO15358 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.7 CC(C)(N)C(N)=O DY609020 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.7 CC(C)(O)C(N)=S DY740299 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.7 CC(N)C(C)(C)C DY552417 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.7 [2H]C(C)(N)C(=O)O DY454695 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.8 C=CC(C)(N)CO DY500685 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.8 CC(C)(C#N)C#N DY569361 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.8 CC(C)(C#N)CO NO13572 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.8 CC(C)(C=O)CO DY21089 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.8 CC(C)(CBr)CBr NO20516 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.8 CC(C)(CN)CO NO22037 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.8 CC(C)(CO)CO DY514971 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.8 CC(N)(C#N)CO DY512793 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.8 CCC(C)(N)C#N NO17000 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.8 COC(C)(C)ON DY503427 [0,1,0,0,0,0|1,0,1]=3 78 B6R1.7 C#CC1(N)CC1 DY21061 [0,0,0,1,0,0|1,0,2]=4 79 B6R1.7 CCC1(N)CC1 DY586551 [0,0,0,1,0,0|1,0,2]=4 80 B6R1.7 C[C@@]1(CO)CO1 DY575949 [0,0,0,1,0,0|1,0,1]=3 81 B6R1.7 N#CC1(N)CC1 NO13582 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.7 NC1(CO)CC1 NO13349 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.7 NCC1(O)CC1 NO20441 [0,0,0,1,0,0|1,0,1]=3 84 B6R1.10 CC1(N)COC1 DY444292 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.10 CC1(N)COC1 NO14859 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.10 CC1(N)CSC1 DY113158 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.10 CC1(O)CNC1 NO15502 [0,0,0,1,0,0|1,0,1]=3 88 B3R0.1 C=CCBr DY41858 [2,0,0,0,0,0|1,0,0]=3 89 B3R0.1 C=CCN DY500409 [2,0,0,0,0,0|1,0,0]=3 90 B3R0.1 CCNC DY822410 [2,0,0,0,0,0|1,0,1]=4 91 B3R0.1 CCNN DY563997 [2,0,0,0,0,0|2,0,0]=4 92 B3R0.1 CNC=O DY513177 [2,0,0,0,0,0|2,0,0]=4 93 B3R0.1 OCCF DY822289 [2,0,0,0,0,0|1,0,1]=4 94 B3R0.2 CB(O)O DY508688 [2,0,0,0,0,0|2,0,0]=4 95 B3R0.2 CC(=O)O DY562245 [2,0,0,0,0,0|1,0,1]=4 96 B3R0.2 CC(C)Br DY41864 [2,0,0,0,0,0|1,0,0]=3 97 B3R0.2 CC(C)I DY742309 [2,0,0,0,0,0|1,0,0]=3 98 B3R0.2 CC(C)[O-] DY822961 [2,0,0,0,0,0|0,0,1]=3 99 B3R0.2 CN(C)C DY460488 [2,0,0,0,0,0|1,0,1]=4 100 B3R0.2 CS(C)=O DY506586 [2,0,0,0,0,0|1,0,1]=4 101 B3R0.2 C[13C](=O)O DY454749 [2,0,0,0,0,0|1,0,1]=4 102 B3R0.2 C[PH](C)=O DY21075 [2,0,0,0,0,0|1,0,1]=4 103 B3R0.2 C[S+](C)C DY794205 [2,0,0,0,0,0|1,0,1]=4 104 B3R0.2 C[SiH](C)Cl DY822313 [2,0,0,0,0,0|1,1,0]=4 105 B5R0.1 CC(C)=CCBr DY41900 [1,1,0,0,0,0|0,0,2]=4 106 B5R0.1 CC(C)=CCCl DY460578 [1,1,0,0,0,0|0,0,2]=4 107 B5R0.1 CC(C)=C[SiH2]Cl DY822351 [1,1,0,0,0,0|0,1,1]=4 108 B5R0.1 CC(C)CC=O NO11530 [1,1,0,0,0,0|0,0,1]=3 109 B5R0.1 CC(C)CCBr DY460632 [1,1,0,0,0,0|0,0,2]=4 110 B5R0.1 CC(O)CON NO17735 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.1 CCCC(C)O DY741013 [1,1,0,0,0,0|0,0,2]=4 112 B5R0.1 CN(C)CC=O DY558327 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.1 CN(C)CC=O NO17734 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.1 COCC(C)O NO20741 [1,1,0,0,0,0|0,0,2]=4 115 B5R0.1 COC[C@@H](C)O NO20249 [1,1,0,0,0,0|0,0,2]=4 116 B5R0.1 COC[C@H](C)O NO20309 [1,1,0,0,0,0|0,0,2]=4 117 B5R0.1 C[C@H](O)CC#N DY625225 [1,1,0,0,0,0|0,0,2]=4 118 B5R0.1 C\C=C\C(=O)O DY41882 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,1,0,0,0,0|0,0,0]=2 120 B5R0.3 C=CC(Cl)CCl DY740791 [1,1,0,0,0,0|1,0,0]=3 121 B5R0.3 C=CC(N)CO DY579231 [1,1,0,0,0,0|1,0,0]=3 122 B5R0.3 C=C[C@H](O)CO DY625759 [1,1,0,0,0,0|0,0,0]=2 123 B5R0.3 CCC(O)CN DY519471 [1,1,0,0,0,0|0,0,2]=4 124 B5R0.3 CCC(O)CO DY822703 [1,1,0,0,0,0|0,0,2]=4 125 B5R0.3 CC[C@H](C)C#N DY822231 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.3 CC[C@H](O)CO NO15622 [1,1,0,0,0,0|0,0,2]=4 127 B5R0.3 CO[C@H](C)CN DY622119 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.3 CO[C@H](C)CN NO17733 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.3 CO[C@H](C)CO NO12306 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.3 NCC(O)CN NO14232 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.3 NCC(O)CO NO18397 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.3 NC[C@@H](O)CO NO14832 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.3 NC[C@H](O)CCl DY427329 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.3 NC[C@H](O)CO DY20311 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.3 OC[C@@H](O)CCl NO15061 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.3 OC[C@H](O)CCl DY20314 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.5 C=C(C)C(=O)O DY740707 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.5 CC(=O)C(C)C DY740329 [1,1,0,0,0,0|0,0,1]=3 139 B5R0.5 CC(=O)C(C)Cl DY740749 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.5 CC(C)B(O)O DY454222 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.5 CC(C)C(N)=O NO21696 [1,1,0,0,0,0|1,0,0]=3 142 B5R0.5 CC(O)C(N)=O DY538347 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.5 CN(C)C(=S)[S-] DY822456 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.5 C[C@@H](N)C(N)=O NO15732 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.5 C[C@H](Br)C(=O)O DY20444 [1,1,0,0,0,0|2,0,0]=4 148 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.5 C[C@H](N)C(=O)O NO19143 [1,1,0,0,0,0|2,0,0]=4 150 B5R0.5 C[C@H](N)C(=O)S DY572427 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.5 C[C@H](N)C(N)=O NO22529 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.5 C[C@H](O)C(N)=O DY624997 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.8 CNCCC(C)(C)O DY603812 [0,2,0,0,0,0|0,0,2]=4 155 B7R0.9 C=C(C)O[Si](C)(C)C DY740293 [0,2,0,0,0,0|1,1,0]=4 156 B7R0.9 CC(=O)CC(C)(C)O DY740611 [0,2,0,0,0,0|0,0,1]=3 157 B7R0.9 CC(C)(C)CC(=O)Cl DY568221 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.9 CC(C)(C)CC(=O)O NO22814 [0,2,0,0,0,0|1,0,1]=4 159 B7R0.9 CC(C)(C)OC(N)=O NO11993 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.9 CC(C)(N)CC(=O)O NO14805 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.9 CC(C)(N)CC(=O)O NO17039 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.9 CC(C)(O)CC(=O)[O-] DY791319 [0,2,0,0,0,0|0,0,1]=3 163 B7R0.9 CN(C)CC(C)(C)O DY41894 [0,2,0,0,0,0|0,0,2]=4 164 B7R0.11 C=CC[Si](C)(C)CCl DY570345 [0,2,0,0,0,0|1,1,0]=4 165 B7R0.11 CC#CC(C)(O)CCl DY790755 [0,2,0,0,0,0|0,0,2]=4 166 B7R0.14 CC(C)(C)C(=O)C#N DY822781 [0,2,0,0,0,0|1,0,1]=4 167 B7R0.14 CC(C)(F)C(=O)CBr DY569355 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.14 COC(=O)C(C)(C)F NO11604 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.14 COC(=O)C(C)(C)N NO17071 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.13 CC(C)(CN)C(=O)O DY535611 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.13 CC(C)(CN)C(N)=O NO22038 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.13 CC(C)(CO)C(=O)O NO19743 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.13 CC(C)(CO)C(F)F DY539595 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.13 CC(N)(CO)C(=O)O DY559497 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.13 CCC(C)(C)C(C)=O DY792897 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.13 CCC(C)(N)C(=O)O DY628689 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.13 C[C@](O)(CBr)C(=O)O NO14051 [0,2,0,0,0,0|1,0,0]=3 178 B7R0.17 CC(C)(O)C(C)(C)O NO21047 [0,2,0,0,0,0|0,0,2]=4 179 B7R0.18 COC(C)(OC)OC NO12051 [0,2,0,0,0,0|1,0,1]=4 180 B5R1.2 CC1CNC1 NO13089 [1,0,0,1,0,0|1,0,1]=4 181 B5R1.2 C[C@H]1CCN1 DY625021 [1,0,0,1,0,0|1,0,1]=4 182 B5R1.2 OC1CCC1 NO11176 [1,0,0,1,0,0|0,0,2]=4 183 B5R1.2 OC1CNC1 NO14687 [1,0,0,1,0,0|1,0,1]=4 184 B5R1.2 OC1COC1 NO19329 [1,0,0,1,0,0|1,0,1]=4 185 B5R1.3 BrCC1CC1 DY10481 [1,0,0,1,0,0|1,0,1]=4 186 B5R1.3 BrCC1CO1 DY822350 [1,0,0,1,0,0|1,0,1]=4 187 B5R1.3 BrC[C@H]1CO1 DY822260 [1,0,0,1,0,0|1,0,1]=4 188 B5R1.3 CC[C@H]1CO1 DY20699 [1,0,0,1,0,0|0,0,2]=4 189 B5R1.3 CNC1CC1 NO13160 [1,0,0,1,0,0|1,0,1]=4 190 B5R1.3 ClCC1CC1 NO19956 [1,0,0,1,0,0|1,0,1]=4 191 B5R1.3 ClC[C@@H]1CO1 DY20322 [1,0,0,1,0,0|1,0,1]=4 192 B5R1.3 ClC[C@H]1CO1 DY557877 [1,0,0,1,0,0|1,0,1]=4 193 B5R1.3 NCC1CC1 NO18907 [1,0,0,1,0,0|1,0,1]=4 194 B5R1.3 NNC1CC1 NO15677 [1,0,0,1,0,0|2,0,0]=4 195 B5R1.3 NNC1CC1 NO18095 [1,0,0,1,0,0|2,0,0]=4 196 B5R1.3 OCC1CC1 NO19620 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.14 CC1(C)COCN1 DY557637 [0,1,0,1,0,0|1,0,1]=4 198 B7R1.14 CC1(C)OCCO1 DY822372 [0,1,0,1,0,0|0,0,2]=4 199 B7R1.14 CC1(O)CCCC1 NO20768 [0,1,0,1,0,0|0,0,2]=4 200 B7R1.21 CCOC1(O)CC1 NO16017 [0,1,0,1,0,0|0,0,2]=4 201 B7R1.21 NCCC1(O)CC1 DY576975 [0,1,0,1,0,0|0,0,2]=4 202 B7R1.19 NC1(C(=O)O)CC1 DY567315 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.19 NC1(C(=O)O)CC1 NO16477 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.19 O=C(O)C1(Br)CC1 NO15760 [0,1,0,1,0,0|2,0,0]=4 205 B7R1.19 O=C(O)C1(F)CC1 NO13809 [0,1,0,1,0,0|2,0,0]=4 206 B7R1.25 CC1(CBr)COC1 NO22179 [0,1,0,1,0,0|1,0,1]=4 207 B7R1.25 CC1(CCl)COC1 DY573177 [0,1,0,1,0,0|1,0,1]=4 208 B7R1.25 CC1(CN)COC1 NO22390 [0,1,0,1,0,0|1,0,1]=4 209 B7R1.25 CC1(CO)COC1 NO16968 [0,1,0,1,0,0|1,0,1]=4 210 B7R1.25 CC1(CS)COC1 DY115780 [0,1,0,1,0,0|1,0,1]=4 211 B7R1.25 CCC1(O)CNC1 DY444268 [0,1,0,1,0,0|0,0,2]=4 212 B7R1.25 N#CC1(O)COC1 DY732931 [0,1,0,1,0,0|1,0,1]=4 213 B7R1.25 NCC1(O)CCC1 NO12835 [0,1,0,1,0,0|0,0,2]=4 214 B7R1.25 OCC1(O)CNC1 DY718774 [0,1,0,1,0,0|1,0,1]=4 215 B7R1.27 CCC1(C)ON1C DY549645 [0,1,0,1,0,0|0,0,2]=4 216 B7R1.29 COC1(CN)CC1 DY527313 [0,1,0,1,0,0|1,0,1]=4 217 B7R1.29 N#CC1(C=O)CC1 DY585255 [0,1,0,1,0,0|2,0,0]=4 218 B7R1.29 OCC1(CO)CC1 DY20742 [0,1,0,1,0,0|1,0,1]=4