0 B6R0.1 C(C#N)C(CCl)O PI-16669 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C(CBr)C(CO)O PI-40398 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 C(CO)C(CO)O PI-28525 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 C(CO)C(CO)O PI-28767 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 C(CO)C(CO)O PI-44643 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 CC(CC=O)SC PI-48524 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.1 CC(CCN)CO PI-48961 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCC(C)N=C=S PI-22956 [0,0,0,0,0,0|1,1,1]=3 9 B6R0.1 CCCC(=O)SC PI-48512 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CCCC(C=C)O PI-15324 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 CCCC(CC)Cl PI-46859 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CCCC(CO)O PI-13556 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CNCC(CO)O PI-34729 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.1 COC(=O)CCN PI-31148 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.1 O=C(OC)CCO PI-41038 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.1 O[C@H](CCl)CC#N PI-10363 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 BrCC=C(C)C PI-12725 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 BrCCN(C)C PI-41040 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CC(=C)CCBr PI-40493 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 CC(=O)NCO PI-29791 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(CCO)N PI-34839 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CC(CCO)N PI-35494 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 CC(CCO)O PI-15618 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CCCC(C)N PI-36925 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CCCC(C)O PI-42533 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 CCO[Si](C)C PI-50089 [1,0,0,0,0,0|2,1,0]=4 29 B5R0.1 COCC(O)C PI-12912 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 C[C@@H](CC#N)N PI-48104 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 C[C@H](CCO)N PI-35493 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 O=C=NC(C)C PI-11403 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 OCCC(=C)Br PI-34814 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 OCC[C@H](O)C PI-15617 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.2 BrCCCC=C PI-39146 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 BrCCSCC PI-21417 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 C(C#CCO)O PI-44635 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.2 C(CC#N)CBr PI-41208 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.2 C(CCBr)CCl PI-15812 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 C(CCBr)CN PI-46910 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 C(CCCl)CO PI-15813 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.2 C(CCS)CS PI-11005 [1,0,0,0,0,0|1,1,0]=3 44 B5R0.2 C=COCCO PI-12735 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.2 CCCSSC PI-48493 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 CCNCCN PI-13215 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 CCSCCN PI-22120 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 CCSSCC PI-45874 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.2 CNCCNC PI-39066 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.2 CNCCSC PI-35879 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 COCCC=O PI-45882 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.2 COCCCCl PI-38032 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.2 COCCCO PI-10094 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.2 CSCCC=O PI-45744 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.2 ClCCCC#C PI-20198 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.2 ClCCCC#N PI-38313 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 FCCCCBr PI-14440 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.2 NCCCCO PI-38298 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.2 OCCCC#C PI-13238 [1,0,0,0,0,0|0,0,2]=3 60 B5R0.2 OCCCC=C PI-13243 [1,0,0,0,0,0|0,0,2]=3 61 B5R0.2 OCCCCBr PI-12762 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.2 OC\C=C\CO PI-40910 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.3 C(C(C=O)O)O PI-14881 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 C(C(CBr)O)Br PI-47056 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.3 C(C(CCl)O)F PI-20093 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.3 C(C(CCl)O)O PI-16668 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.3 C(C(CO)N)O PI-16192 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.3 C(C(CO)O)N PI-10528 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.3 C([C@@H](CCl)O)N PI-48662 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.3 C=C[C@H](CO)N PI-48191 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.3 CCC(=O)CBr PI-20588 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 CCC(CO)N PI-45910 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.3 NCC(O)CO PI-12972 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.3 NC[C@H](O)CO PI-28266 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.3 N[C@H](CO)C=C PI-36414 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 OCC(=C)CO PI-24347 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.3 OCC(CO)N PI-10243 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.3 OCC(O)CO PI-12961 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.3 OC[C@H](O)CCl PI-16667 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.2 CC(C)CC(CO)N PI-35868 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.2 NC(C)CC(C)CC PI-36995 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.5 NC(CCO)C(O)=O PI-41434 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.7 CC(CCBr)CCBr PI-25581 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.7 CCCC(CCC)N PI-15988 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.7 CCCC(S)CCO PI-37281 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.7 CN(CCN)CCN PI-47120 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.7 COCC(N)COC PI-36402 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.7 CSCC(CNN)O PI-45806 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.7 NCCC(=O)OCC PI-33213 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.7 OCCC(=O)OCC PI-39562 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.10 CCC(C(C)CO)S PI-48470 [0,1,0,0,0,0|1,0,0]=2 106 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [0,1,0,0,0,0|0,0,0]=1 107 B7R0.10 COC(=O)C(CO)N PI-11634 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.10 COC(=O)C(CO)O PI-42716 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.10 SC[C@H]([C@@H](CS)O)O PI-27013 [0,1,0,0,0,0|2,1,0]=4 113 B7R0.12 CCCC(CO)CO PI-44018 [0,1,0,0,0,0|2,0,0]=3 114 B7R1.1 C1CC(NC1)CN PI-35678 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.1 C1CC(OC1)CBr PI-30089 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.1 C1CCC(C1)CO PI-44131 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.1 C1CCC(C1)ON PI-47243 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.1 C1CNCC1CO PI-40189 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.1 C1CNCC1CO PI-40190 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.1 C1COCC1CBr PI-42703 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.1 C1COCC1CCl PI-42702 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.1 C1COCC1CO PI-41224 [0,0,0,1,0,0|1,0,0]=2 123 B7R1.1 CCN1CCCC1 PI-47092 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.1 ICC1COCC1 PI-42704 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.1 NNC1CCCC1 PI-36366 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.1 NNC1CCCC1 PI-38997 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.1 OCC1CC=CC1 PI-35499 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.1 OC[C@H]1CCCN1 PI-16475 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.2 C1C(COC1=O)O PI-28663 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.2 C1CC(CC1N)O PI-44226 [0,0,0,1,0,0|1,0,0]=2 132 B7R1.2 C1CC(CC1O)O PI-43989 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.2 CC1CCC(C1)O PI-44641 [0,0,0,1,0,0|0,0,0]=1 134 B7R1.2 CN1CCC(O)C1 PI-33498 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,1,0,0|1,0,2]=4 136 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.3 BrC1CCCOC1 PI-35181 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.3 BrC1CCOCC1 PI-35207 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.3 C1CC(CNC1)Br PI-13262 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.3 C1CC(CNC1)F PI-48937 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.3 C1CC(CNC1)N PI-11065 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.3 C1CC(CNC1)N PI-27492 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.3 C1CC(CNC1)O PI-10129 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.3 C1CC(CNC1)O PI-11069 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.3 C1CC(CNC1)O PI-31252 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.3 C1CCN(CC1)N PI-34077 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.3 C1CCN(CC1)N PI-43331 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.3 C1CCNC(C1)Br PI-13261 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.3 C1CCNC(C1)O PI-11062 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.3 C1CNCCC1=O PI-43209 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.3 C1CNCCC1Br PI-34736 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.3 C1CNCCC1Cl PI-13260 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.3 C1CNCCC1F PI-48939 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.3 C1CNCCC1N PI-12453 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.3 C1CNCCC1N PI-43332 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 C1CNCCC1O PI-43307 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.3 C1COCCC1=O PI-47224 [0,0,0,1,0,0|1,0,1]=3 163 B7R1.3 C1COCCC1Cl PI-45093 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.3 C1COCCC1I PI-45407 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.3 C1COCCN1N PI-33201 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.3 C=C1CCNCC1 PI-41106 [0,0,0,1,0,0|1,0,2]=4 168 B7R1.3 C=C1CCOCC1 PI-42723 [0,0,0,1,0,0|0,0,2]=3 169 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,1,0,0|1,0,2]=4 170 B7R1.3 CC1=CCOCC1 PI-42722 [0,0,0,1,0,0|0,0,2]=3 171 B7R1.3 CC1CCOCO1 PI-47110 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.3 CC1CNCCN1 PI-31297 [0,0,0,1,0,0|3,0,0]=4 173 B7R1.3 CC1CNCCN1 PI-33175 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.3 CC1CNCCO1 PI-34764 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.3 CC1SCCCS1 PI-25717 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.3 CN1CCNCC1 PI-50345 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.3 NC1CCCCN1 PI-13252 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.3 NC1CCCNC1 PI-13253 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.3 NC1CCOCC1 PI-14135 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.3 NC1CCOCC1 PI-39008 [0,0,0,1,0,0|1,0,0]=2 185 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.3 O1CCCC(C1)O PI-42688 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.3 O=C1CCNCC1 PI-12489 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.3 O=C1CCNCC1 PI-37237 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.3 O=C1CCOCC1 PI-13776 [0,0,0,1,0,0|1,0,1]=3 191 B7R1.3 O=C1CCSCC1 PI-40196 [0,0,0,1,0,0|1,1,1]=4 192 B7R1.3 OC1CCNCC1 PI-31377 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.3 OC1CCOCC1 PI-37145 [0,0,0,1,0,0|1,0,0]=2 194 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.4 BrC1CCOC1=O PI-37275 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.4 C1COC(=O)C1N PI-45116 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,0,0,1,0,0|1,0,1]=3 199 B7R1.4 CC1C(CCO1)S PI-14229 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.4 O=C1NCCC1C PI-27005 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.6 NCCC1COC1 PI-36429 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.6 OCCC1COC1 PI-36428 [0,0,0,1,0,0|1,0,0]=2 210 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,0,0,1,0,0|1,0,2]=4 211 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.25 CC1(COC1)CO PI-24315 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.25 NCC1(O)CCC1 PI-36089 [0,0,0,1,0,0|3,0,0]=4 214 B4R0.1 CC(C#C)O PI-44141 [2,0,0,0,0,0|0,0,2]=4 215 B4R0.1 CC(C)CN PI-46903 [2,0,0,0,0,0|1,0,0]=3 216 B4R0.1 CC(C)NC PI-41120 [2,0,0,0,0,0|1,0,0]=3 217 B4R0.1 CC(CN)O PI-16659 [2,0,0,0,0,0|1,0,0]=3 218 B4R0.1 CC(CO)O PI-16674 [2,0,0,0,0,0|1,0,0]=3 219 B4R0.1 CC(O)C#C PI-43256 [2,0,0,0,0,0|0,0,2]=4 220 B4R0.1 CCB(O)O PI-25578 [2,0,0,0,0,0|2,0,0]=4 221 B4R0.1 CCC(C)O PI-15619 [2,0,0,0,0,0|0,0,0]=2 222 B4R0.1 CNN(C)C PI-40655 [2,0,0,0,0,0|2,0,0]=4 223 B4R0.1 C[C@@H](CO)N PI-12236 [2,0,0,0,0,0|1,0,0]=3 224 B4R0.1 C[C@@H](N)CO PI-16472 [2,0,0,0,0,0|1,0,0]=3 225 B4R0.1 C[C@@H](O)CN PI-12234 [2,0,0,0,0,0|1,0,0]=3 226 B4R0.1 NC[C@@H](N)C PI-39121 [2,0,0,0,0,0|2,0,0]=4 227 B4R0.1 NNC(C)C PI-37110 [2,0,0,0,0,0|2,0,0]=4 228 B4R0.1 OCC(F)F PI-21165 [2,0,0,0,0,0|2,0,0]=4 229 B4R0.1 OC[C@H](O)C PI-16673 [2,0,0,0,0,0|1,0,0]=3 230 B4R0.2 C#CCCO PI-16501 [2,0,0,0,0,0|0,0,2]=4 231 B4R0.2 C(CF)CF PI-21236 [2,0,0,0,0,0|2,0,0]=4 232 B4R0.2 C(CF)CI PI-41494 [2,0,0,0,0,0|2,0,0]=4 233 B4R0.2 C(CN)CN PI-19035 [2,0,0,0,0,0|2,0,0]=4 234 B4R0.2 C(CN)CN PI-46906 [2,0,0,0,0,0|2,0,0]=4 235 B4R0.2 C(CN)CS PI-39174 [2,0,0,0,0,0|1,1,0]=4 236 B4R0.2 C(CO)CBr PI-15814 [2,0,0,0,0,0|1,0,0]=3 237 B4R0.2 C(CO)CI PI-50488 [2,0,0,0,0,0|1,0,0]=3 238 B4R0.2 C(CS)CS PI-11004 [2,0,0,0,0,0|1,1,0]=4 239 B4R0.2 CC#CCO PI-15652 [2,0,0,0,0,0|0,0,2]=4 240 B4R0.2 CC=CCO PI-41583 [2,0,0,0,0,0|0,0,2]=4 241 B4R0.2 CCCCCl PI-44613 [2,0,0,0,0,0|1,0,0]=3 242 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|1,0,0]=3 243 B4R0.2 COCCBr PI-21426 [2,0,0,0,0,0|2,0,0]=4 244 B4R0.2 ClCCNC PI-41980 [2,0,0,0,0,0|2,0,0]=4 245 B4R0.2 OCCCS PI-39546 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.2 CC(C)CB(O)O PI-37377 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [1,1,0,0,0,0|0,0,2]=4 248 B6R0.2 CC(C)NC(C)C PI-41089 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.2 CC(C)NC(C)C PI-45766 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.2 CC(CC(=O)O)N PI-35438 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.2 CC(CC(=O)O)N PI-35481 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.2 CC(CC(=O)O)N PI-43821 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.2 CC(CC(=O)O)O PI-47070 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.2 CC(CC(C)Br)Br PI-25295 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.2 CN(C)CC(=O)O PI-15416 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.3 BrCC(=O)C(C)C PI-34836 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.3 CCC(=O)C(C)C PI-39171 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.3 CCC(C(C)Br)Br PI-25651 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.3 OC[C@H](C(C)C)N PI-16477 [1,1,0,0,0,0|0,0,0]=2 262 B6R0.3 OC[C@H](N)C(C)C PI-14330 [1,1,0,0,0,0|0,0,0]=2 263 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [1,1,0,0,0,0|1,0,0]=3 264 B6R0.4 CCCCC(C)O PI-42555 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.4 CN(C)CCCCl PI-50389 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.4 CN(C)CCCO PI-31996 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.4 CN(C)CCON PI-47242 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.4 CNCCN(C)C PI-39257 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.4 ClCCCN(C)C PI-34098 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.4 OCCCC(=O)C PI-13555 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.5 CC(C)(CSC)N PI-50645 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.5 CCC[Si](Cl)(C)C PI-45076 [1,1,0,0,0,0|1,1,0]=4 274 B6R0.5 CCOC(C)(C)C PI-39331 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.5 C[Si](C)(C)CCBr PI-45024 [1,1,0,0,0,0|1,1,0]=4 276 B6R0.5 O=CCC(C)(C)C PI-36862 [1,1,0,0,0,0|0,0,2]=4 277 B6R0.5 OCCC(C)(C)C PI-38249 [1,1,0,0,0,0|0,0,0]=2 278 B6R0.5 OCCC(F)(F)F PI-39031 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.5 OCC[Si](C)(C)C PI-13045 [1,1,0,0,0,0|0,1,0]=3 280 B6R0.6 BrCCCCC#N PI-22651 [1,1,0,0,0,0|1,0,1]=4 281 B6R0.6 BrCCCCC=C PI-39147 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.6 BrCCOCCBr PI-13583 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.6 BrCC[NH2+]CCBr PI-37244 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.6 C#CCCCCO PI-40904 [1,1,0,0,0,0|0,0,1]=3 285 B6R0.6 C(CCBr)CCBr PI-44626 [1,1,0,0,0,0|1,0,0]=3 286 B6R0.6 C(CCN)CCN PI-46858 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.6 C(CCO)CCCl PI-44261 [1,1,0,0,0,0|0,0,0]=2 288 B6R0.6 C(CCS)CCS PI-11006 [1,1,0,0,0,0|0,1,0]=3 289 B6R0.6 C(COCCN)N PI-47125 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.6 CCCCCCN PI-46860 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.6 CCCCCNC PI-21907 [1,1,0,0,0,0|1,0,0]=3 292 B6R0.6 CCCCN=C=S PI-22957 [1,1,0,0,0,0|0,1,1]=4 293 B6R0.6 CCCOCCCl PI-47054 [1,1,0,0,0,0|1,0,0]=3 294 B6R0.6 CCCSCCC PI-48482 [1,1,0,0,0,0|1,0,0]=3 295 B6R0.6 CCNCCC#N PI-19315 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.6 CNCCCNC PI-32197 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.6 COCCCCBr PI-39605 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.6 COCCOCCl PI-12842 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.6 ClCCCCC#C PI-19028 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.6 ClCCCCC=O PI-34745 [1,1,0,0,0,0|0,0,2]=4 301 B6R0.6 ClCCCCCBr PI-10753 [1,1,0,0,0,0|1,0,0]=3 302 B6R0.6 ClCCNCCCl PI-37373 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.8 CC(N)(CC)C#C PI-36167 [1,1,0,0,0,0|0,0,2]=4 304 B6R0.8 CCS(=O)(=O)CC PI-30756 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.9 B(CC)(CC)CC PI-50005 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.9 CCC(CC)CBr PI-47059 [1,1,0,0,0,0|0,0,0]=2 307 B6R0.9 CCN(CC)N=O PI-47046 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.9 OCC(CC)CO PI-41977 [1,1,0,0,0,0|0,0,0]=2 309 B6R0.9 OCC(CO)CO PI-37259 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.9 OCC(OC)CO PI-46661 [1,1,0,0,0,0|1,0,0]=3 311 B8R0.2 CC(C(C(=O)O)N)OC PI-14941 [0,2,0,0,0,0|1,0,1]=4 312 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,2,0,0,0,0|0,0,1]=3 313 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,2,0,0,0,0|0,0,1]=3 314 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,2,0,0,0,0|0,0,2]=4 315 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,2,0,0,0,0|0,0,1]=3 316 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,2,0,0,0,0|0,0,1]=3 317 B8R0.5 CCOC(=O)CC(C)O PI-12942 [0,2,0,0,0,0|1,0,1]=4 318 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.16 CCN(CC)CC(C)O PI-49780 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,2,0,0,0,0|1,0,1]=4 321 B8R0.19 CCC(SC(CC)C)C PI-39261 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,2,0,0,0,0|1,0,1]=4 323 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [0,2,0,0,0,0|1,0,1]=4 325 B8R0.1 CCCCC(CCC)O PI-46865 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.1 CCOCC(C)OCC PI-44418 [0,2,0,0,0,0|1,0,0]=3 327 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,2,0,0,0,0|1,0,1]=4 328 B8R0.3 CCOC(=O)C(CO)N PI-30400 [0,2,0,0,0,0|1,0,1]=4 329 B8R0.3 CCOC(=O)C(N)CO PI-42130 [0,2,0,0,0,0|1,0,1]=4 330 B8R0.3 CCOC([C@@H](CO)N)=O PI-42157 [0,2,0,0,0,0|1,0,1]=4 331 B8R0.3 O[C@@H](CC=O)[C@H](O)CO PI-24472 [0,2,0,0,0,0|1,0,1]=4 332 B8R0.6 CCCCCC(CC)O PI-42991 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,2,0,0,0,0|0,0,0]=2 334 B8R0.11 CCN(CC)CCCCl PI-41189 [0,2,0,0,0,0|2,0,0]=4 335 B8R0.11 COC(CCC#N)OC PI-25165 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.11 COC(CCCBr)OC PI-35017 [0,2,0,0,0,0|2,0,0]=4 337 B8R0.11 COC(CCCCl)OC PI-28354 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.25 NCCCC(C)(C)CO PI-15874 [0,2,0,0,0,0|2,0,0]=4 339 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,2,0,0,0,0|1,0,1]=4 340 B8R0.22 CCC(OCC)OCC PI-50606 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.22 CCOC(CO)OCC PI-11243 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.20 CCC(CC)C(CC)O PI-29298 [0,2,0,0,0,0|1,0,0]=3 343 B8R0.31 CCC(CC)(CCO)O PI-34615 [0,2,0,0,0,0|0,0,0]=2 344 B8R0.31 CCCC(CC)(CC)O PI-29734 [0,2,0,0,0,0|1,0,0]=3 345 B6R1.2 C1CNCC1F PI-37496 [1,0,0,1,0,0|2,0,0]=4 346 B6R1.2 C1CNCC1N PI-12334 [1,0,0,1,0,0|2,0,0]=4 347 B6R1.2 C1CNCC1N PI-15467 [1,0,0,1,0,0|2,0,0]=4 348 B6R1.2 C1CNCC1N PI-15468 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.2 C1CNCC1N PI-16581 [1,0,0,1,0,0|2,0,0]=4 350 B6R1.2 C1CNCC1N PI-16582 [1,0,0,1,0,0|2,0,0]=4 351 B6R1.2 C1CNCC1O PI-10126 [1,0,0,1,0,0|2,0,0]=4 352 B6R1.2 C1CNCC1O PI-42733 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.2 C1COCC1Cl PI-42699 [1,0,0,1,0,0|1,0,0]=3 354 B6R1.2 C1COCC1N PI-42643 [1,0,0,1,0,0|1,0,0]=3 355 B6R1.2 C1COCC1N PI-44061 [1,0,0,1,0,0|1,0,0]=3 356 B6R1.2 C1COCC1O PI-42698 [1,0,0,1,0,0|1,0,0]=3 357 B6R1.2 C1CSCC1O PI-48171 [1,0,0,1,0,0|1,1,0]=4 358 B6R1.2 CC1CCCN1 PI-35484 [1,0,0,1,0,0|2,0,0]=4 359 B6R1.2 CC1CCCN1 PI-35485 [1,0,0,1,0,0|2,0,0]=4 360 B6R1.2 CC1CCCS1 PI-47093 [1,0,0,1,0,0|2,0,0]=4 361 B6R1.2 CC1CCNC1 PI-48326 [1,0,0,1,0,0|1,0,0]=3 362 B6R1.2 CC1CNCC1 PI-36287 [1,0,0,1,0,0|1,0,0]=3 363 B6R1.2 CN1CCCC1 PI-49852 [1,0,0,1,0,0|2,0,0]=4 364 B6R1.2 C[C@@H]1CCNC1 PI-48327 [1,0,0,1,0,0|1,0,0]=3 365 B6R1.2 FC1CNCC1 PI-38496 [1,0,0,1,0,0|2,0,0]=4 366 B6R1.2 F[C@@H]1CNCC1 PI-37497 [1,0,0,1,0,0|2,0,0]=4 367 B6R1.2 IC1COCC1 PI-42701 [1,0,0,1,0,0|1,0,0]=3 368 B6R1.2 NC1CCNC1 PI-42734 [1,0,0,1,0,0|2,0,0]=4 369 B6R1.2 NC1COCC1 PI-42705 [1,0,0,1,0,0|1,0,0]=3 370 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,1,0,0|1,0,1]=4 371 B6R1.2 OC1COCC1 PI-20870 [1,0,0,1,0,0|1,0,0]=3 372 B6R1.2 O[C@@H]1CCOC1 PI-41161 [1,0,0,1,0,0|1,0,0]=3 373 B6R1.2 O[C@@H]1CNCC1 PI-10127 [1,0,0,1,0,0|2,0,0]=4 374 B6R1.2 O[C@@H]1CNCC1 PI-12902 [1,0,0,1,0,0|2,0,0]=4 375 B6R1.2 O[C@H]1CCOC1 PI-41160 [1,0,0,1,0,0|1,0,0]=3 376 B6R1.2 O[C@H]1CNCC1 PI-10148 [1,0,0,1,0,0|2,0,0]=4 377 B6R1.3 C1CC1CCI PI-48331 [1,0,0,1,0,0|1,0,0]=3 378 B6R1.3 N#CCC1CC1 PI-13560 [1,0,0,1,0,0|1,0,1]=4 379 B6R1.3 OCCC1CC1 PI-17339 [1,0,0,1,0,0|0,0,0]=2 380 B6R1.5 OC1CN(C1)C PI-37502 [1,0,0,1,0,0|1,0,0]=3 381 B6R1.11 C[C@@H](C1CC1)N PI-48052 [1,0,0,1,0,0|2,0,0]=4 382 B6R1.1 C1CCSCS1 PI-25616 [1,0,0,1,0,0|1,1,0]=4 383 B6R1.1 C1CNCCS1 PI-15689 [1,0,0,1,0,0|1,1,0]=4 384 B6R1.1 C1COCC=C1 PI-40555 [1,0,0,1,0,0|0,0,2]=4 385 B6R1.1 C1COCCN1 PI-42536 [1,0,0,1,0,0|1,0,0]=3 386 B6R1.1 C1CSCCO1 PI-40740 [1,0,0,1,0,0|1,0,0]=3 387 B6R1.1 C1CSCCS1 PI-25617 [1,0,0,1,0,0|1,1,0]=4 388 B6R1.6 BrCC1CCC1 PI-28204 [1,0,0,1,0,0|1,0,0]=3 389 B6R1.6 C1C(CO1)CO PI-48337 [1,0,0,1,0,0|1,0,0]=3 390 B6R1.6 C1CC(C1)CO PI-28530 [1,0,0,1,0,0|0,0,0]=2 391 B6R1.6 NCC1CCC1 PI-42247 [1,0,0,1,0,0|1,0,0]=3 392 B6R1.6 O=CC1CCC1 PI-36863 [1,0,0,1,0,0|0,0,2]=4 393 B6R1.6 OCC1COC1 PI-38455 [1,0,0,1,0,0|1,0,0]=3 394 B6R1.7 C1CC1(CO)N PI-36053 [1,0,0,1,0,0|1,0,0]=3 395 B6R1.7 CC1(CO1)C=C PI-48078 [1,0,0,1,0,0|0,0,2]=4 396 B6R1.7 NCC1(O)CC1 PI-36049 [1,0,0,1,0,0|2,0,0]=4 397 B6R1.7 SCC1(C)CC1 PI-37767 [1,0,0,1,0,0|0,1,0]=3 398 B8R1.1 C1C(CNC1CO)F PI-41993 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,1,0,1,0,0|1,0,1]=4 400 B8R1.1 C1[C@H](CN[C@@H]1CO)O PI-48269 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,1,0,1,0,0|1,0,1]=4 402 B8R1.1 CN1CCC(C1)CN PI-23405 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.1 CN1CC[C@H](C1)CO PI-48162 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.1 OC1CN(CC)CC1 PI-40304 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,1,0,1,0,0|1,0,1]=4 406 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,1,0,1,0,0|1,0,1]=4 407 B8R1.4 C1C(CNCC1Br)Br PI-13264 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.4 C1CC(CC(C1)O)N PI-34780 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.4 CC1CC(CNC1)C PI-32523 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.4 CC1CCNC(C1)C PI-11063 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.4 CC1CN(CCN1)C PI-40975 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.4 CC1CNCC(N1)C PI-11769 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.4 CN1CCCC(C1)N PI-43339 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PI-12868 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,1,0,0|0,0,2]=4 416 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,1,0,1,0,0|1,0,1]=4 417 B8R1.2 BrCC1CCCCC1 PI-33021 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.2 BrCC1CCCOC1 PI-39467 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.2 BrCC1CCNCC1 PI-36265 [0,1,0,1,0,0|1,0,0]=3 420 B8R1.2 BrCC1CCOCC1 PI-14484 [0,1,0,1,0,0|0,0,0]=2 421 B8R1.2 C#CC1CCOCC1 PI-45406 [0,1,0,1,0,0|0,0,1]=3 422 B8R1.2 C(C1CCOCC1)O PI-40556 [0,1,0,1,0,0|0,0,0]=2 423 B8R1.2 C1CC(CNC1)CN PI-11064 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.2 C1CC(CNC1)CO PI-11066 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.2 C1CCC(CC1)C#N PI-34206 [0,1,0,1,0,0|1,0,1]=4 426 B8R1.2 C1CCC(CC1)CI PI-44086 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.2 C1CCC(CC1)NN PI-17833 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.2 C1CCC(CC1)NO PI-17940 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.2 C1CCC(CC1)ON PI-47245 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.2 C1CCNC(C1)CO PI-11061 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.2 C1CNCCC1C=O PI-13255 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.2 C1CNCCC1CN PI-11070 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.2 C1CNCCC1CO PI-31327 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.2 C1CN[C@H](CN1)CO PI-49244 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.2 C1COC(CN1)CO PI-41789 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.2 C1COC(CN1)CO PI-44022 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.2 C1COC(CN1)CO PI-44023 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.2 C1CO[C@@H](CO1)CO PI-48359 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.2 C1CO[C@H](CO1)CO PI-48360 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.2 C1C[C@@H](CNC1)CO PI-48081 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.2 CCC1CCCCN1 PI-11060 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.2 CCC1CNCCN1 PI-40004 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.2 CCN1CCNCC1 PI-33488 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.2 CNC1CCCNC1 PI-11067 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.2 CNC1CCNCC1 PI-43342 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.2 CNC1CCNCC1 PI-43343 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.2 CNC1CCOCC1 PI-38449 [0,1,0,1,0,0|0,0,0]=2 448 B8R1.2 COC1CCCNC1 PI-36380 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.2 COC1CCCNC1 PI-43328 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.2 COC1CCNCC1 PI-39354 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.2 COC1CCNCC1 PI-39359 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.2 N#CC1CCNCC1 PI-25574 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.2 N#CC1CCOCC1 PI-39254 [0,1,0,1,0,0|0,0,1]=3 454 B8R1.2 NCC1CCCCC1 PI-34207 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.2 NCC1CCCCN1 PI-11059 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.2 NCC1CCOCC1 PI-14113 [0,1,0,1,0,0|0,0,0]=2 457 B8R1.2 O=CC1CCCCC1 PI-11615 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.2 OCC1CCCCC1 PI-15325 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.2 OCC1CCNCC1 PI-11073 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.3 C1C(SCC(S1)O)O PI-15243 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.3 C1CC(CCC1N)O PI-10861 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.3 C1CC(CCC1N)O PI-45759 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.3 C1CC(CCC1O)O PI-47036 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.3 C1CC(NCC1Br)Br PI-13266 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.3 C1CC(NCC1Cl)N PI-14911 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,1,0,1,0,0|0,0,1]=3 467 B8R1.3 CC1CCC(CC1)N PI-12652 [0,1,0,1,0,0|1,0,0]=3 468 B8R1.3 CC1CCC(CC1)N PI-13103 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.3 CC1CCC(CC1)N PI-13124 [0,1,0,1,0,0|1,0,0]=3 470 B8R1.3 CC1CNC(CN1)C PI-11053 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.3 CN1CCC(CC1)Cl PI-12517 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.3 CN1CCC(CC1)Cl PI-16023 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.3 CN1CCC(CC1)N PI-14111 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.3 CN1CCC(CC1)O PI-43240 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.3 CN1CCN(N)CC1 PI-14898 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,1,0,1,0,0|0,0,0]=2 478 B8R1.3 NC1CCC(CC1)N PI-37998 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.3 NC1CCC(CC1)O PI-17554 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.3 N[C@H]1CC[C@@H](CC1)O PI-17994 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.3 N[C@H]1CC[C@@H](O)CC1 PI-35848 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.3 N[C@H]1CC[C@H](N)CC1 PI-17989 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.3 OC1OCC(OC1)O PI-37435 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.3 O[C@H]1CC[C@H](O)CC1 PI-47037 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.5 C1CCC(C(C1)N)O PI-30701 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.5 C1CCC(C(C1)N)O PI-35193 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.5 C1CCC(C(C1)N)O PI-35194 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.5 C1CNC[C@H]([C@H]1O)F PI-49290 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.5 C1COCC(C1N)O PI-45087 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.5 CC1CCCCC1N PI-13571 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.5 CC1CNCCC1O PI-43324 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.5 NC1CCCCC1O PI-17286 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.5 N[C@@H]1CCCC[C@@H]1N PI-33717 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-13122 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-16574 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-31383 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.5 N[C@H]1CCCC[C@@H]1N PI-16575 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.5 O=C1CCOCC1F PI-39023 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.22 C1CCNCC(C1)N PI-15948 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.22 CN1CCCNCC1 PI-34064 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.52 CCC1(CCCC1)O PI-37576 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.52 CC[N+]1(C)CCCC1 PI-36564 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.52 NCC1(O)CCCC1 PI-36161 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.7 C1COCC1C(=O)O PI-42680 [0,1,0,1,0,0|1,0,1]=4 508 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,1,0,1,0,0|1,0,1]=4 509 B8R1.7 CC(=O)C1CCOC1 PI-42706 [0,1,0,1,0,0|0,0,1]=3 510 B8R1.7 CN(C)C1CCNC1 PI-23404 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.7 CN([C@@H]1CNCC1)C PI-23407 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.7 OB(C1COCC1)O PI-38479 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.8 C1CCN(C1)CCO PI-49853 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.8 C1COC(O1)CCN PI-17178 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.8 CNCC1CCCO1 PI-45431 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.8 ClCCN1CCCC1 PI-16416 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.11 CN1CCCC1CO PI-28906 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.11 OC[C@H]1N(C)CCC1 PI-28408 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.72 C1CCNCC1(C)C PI-38949 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.72 C1CNCCC1(F)F PI-42692 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.72 CC1(C)CCNCC1 PI-40549 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.72 CC1(CCCNC1)O PI-43320 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.72 CC1(CCCNC1)O PI-43321 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.72 CC1(CCNCC1)O PI-43202 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.72 CC1(O)CCCCC1 PI-36472 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.72 CC1(O)CCNCC1 PI-42681 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.72 C[N+]1(CCOCC1)[O-] PI-44975 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.72 FC1(F)CCNCC1 PI-21235 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.72 NC1(C)CCOCC1 PI-40814 [0,1,0,1,0,0|0,0,0]=2 532 B8R1.72 [O-][N+]1(C)CCOCC1 PI-30861 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.82 C1CC1(CC#N)CO PI-41905 [0,1,0,1,0,0|1,0,1]=4 534 B8R2.34 C1O[C@@H]2C[C@H]1NC2 PI-38119 [0,0,0,2,0,0|1,0,0]=3 535 B8R2.55 C1NCC2(C1)CC2 PI-39449 [0,0,0,2,0,0|1,0,0]=3 536 B8R2.42 C1CC2(C1)CCN2 PI-41944 [0,0,0,2,0,0|1,0,0]=3 537 B8R2.42 C1CC2(C1)CNC2 PI-48207 [0,0,0,2,0,0|2,0,0]=4