0 B6R0.6 BrCCCCC#N PI-22651 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 BrCCCCC=C PI-39147 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 BrCCOCCBr PI-13583 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 BrCC[NH2+]CCBr PI-37244 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 C#CCCCCO PI-40904 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 C(CCBr)CCBr PI-44626 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.6 C(CCN)CCN PI-46858 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.6 C(CCO)CCCl PI-44261 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.6 C(CCS)CCS PI-11006 [0,0,0,0,0,0|1,1,0]=2 9 B6R0.6 C(CN=C=S)CBr PI-22582 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.6 C(COCCN)N PI-47125 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 CC=CC=CCO PI-24146 [0,0,0,0,0,0|0,0,4]=4 12 B6R0.6 CCCCCCN PI-46860 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.6 CCCCCNC PI-21907 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.6 CCCCN=C=S PI-22957 [0,0,0,0,0,0|1,1,1]=3 15 B6R0.6 CCCOCCCl PI-47054 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 CCCSCCC PI-48482 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 CCC\C=C\C=O PI-40157 [0,0,0,0,0,0|0,0,4]=4 18 B6R0.6 CCNCCC#N PI-19315 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.6 CNCCCNC PI-32197 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.6 COCCCCBr PI-39605 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.6 COCCOCCl PI-12842 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.6 ClCCCCC#C PI-19028 [0,0,0,0,0,0|1,0,2]=3 23 B6R0.6 ClCCCCC=O PI-34745 [0,0,0,0,0,0|1,0,2]=3 24 B6R0.6 ClCCCCCBr PI-10753 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.6 ClCCNCCCl PI-37373 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.2 BrCCCC=C PI-39146 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.2 BrCCSCC PI-21417 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.2 C(C#CCO)O PI-44635 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.2 C(CC#N)CBr PI-41208 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 C(CCBr)CCl PI-15812 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.2 C(CCBr)CN PI-46910 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.2 C(CCCl)CO PI-15813 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.2 C(CCS)CS PI-11005 [1,0,0,0,0,0|1,1,0]=3 34 B5R0.2 C=COCCO PI-12735 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 CCCSSC PI-48493 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.2 CCNCCN PI-13215 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.2 CCO\C=C\C PI-12734 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.2 CCSCCN PI-22120 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 CCSSCC PI-45874 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 CNCCNC PI-39066 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CNCCSC PI-35879 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 COCCC=O PI-45882 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.2 COCCCCl PI-38032 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 COCCCO PI-10094 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.2 CSCCC=O PI-45744 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.2 ClCCCC#C PI-20198 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.2 ClCCCC#N PI-38313 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 FCCCCBr PI-14440 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.2 NCCCCO PI-38298 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.2 OCCCC#C PI-13238 [1,0,0,0,0,0|0,0,2]=3 51 B5R0.2 OCCCC=C PI-13243 [1,0,0,0,0,0|0,0,2]=3 52 B5R0.2 OCCCCBr PI-12762 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.2 OC\C=C\CO PI-40910 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.1 BrCCCCCC#N PI-21504 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.1 C(CCCBr)CCO PI-39099 [0,1,0,0,0,0|0,0,0]=1 56 B7R0.1 C(CCCCl)CCCl PI-44616 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.1 C(CCCS)CCO PI-40491 [0,1,0,0,0,0|0,0,0]=1 58 B7R0.1 C(CCCS)CCS PI-35928 [0,1,0,0,0,0|0,1,0]=2 59 B7R0.1 C(C[Se][Se]CCN)N PI-21712 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.1 CCCCCCCBr PI-44628 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.1 CCCCCN=C=O PI-11407 [0,1,0,0,0,0|0,0,2]=3 62 B7R0.1 CCCCNCCN PI-15624 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.1 CCCSSCCC PI-48483 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.1 COCCCCCBr PI-50168 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.1 OCCCCCCCl PI-37141 [0,1,0,0,0,0|0,0,0]=1 66 B7R0.1 OCCCCCCN PI-40365 [0,1,0,0,0,0|0,0,0]=1 67 B7R0.1 OCCCCOC=C PI-12738 [0,1,0,0,0,0|0,0,2]=3 68 B7R0.3 CCCCC(=O)NN PI-50263 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.3 COC(=O)CCCBr PI-44980 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.3 COC(=O)CCCN PI-42165 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.3 CSCCC(C#N)O PI-49851 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.4 BrCCCCC(=O)Cl PI-15616 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.4 BrCCCCC(=O)O PI-11341 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.4 C#CCCCC(O)=O PI-37286 [0,1,0,0,0,0|0,0,3]=4 75 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.4 CC(=O)CCCCCl PI-28023 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.4 CCCCCB(O)O PI-37261 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,1,0,0,0,0|0,0,0]=1 81 B7R0.4 CCCCNC(=S)N PI-23056 [0,1,0,0,0,0|1,1,1]=4 82 B7R0.4 CCCCOC(=S)[S-] PI-47064 [0,1,0,0,0,0|1,1,1]=4 83 B7R0.4 CCCOCC(=O)O PI-32592 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.4 CN(C)CCCCN PI-23376 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.4 CNCCCN(C)C PI-19630 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.4 NCCCCC(=O)O PI-30804 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.4 OC(=O)CCCCN PI-40783 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.7 CC(CCBr)CCBr PI-25581 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.7 CCCC(=O)OCCl PI-36667 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.7 CCCC(CCC)N PI-15988 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.7 CCCC(S)CCO PI-37281 [0,1,0,0,0,0|0,0,0]=1 93 B7R0.7 CN(CCN)CCN PI-47120 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.7 COCC(N)COC PI-36402 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.7 CSCC(CNN)O PI-45806 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.7 NCCC(=O)OCC PI-33213 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.7 OCCC(=O)OCC PI-39562 [0,1,0,0,0,0|1,0,1]=3 98 B7R1.1 C1CC(NC1)CN PI-35678 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.1 C1CC(OC1)CBr PI-30089 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.1 C1CCC(C1)CO PI-44131 [0,0,0,1,0,0|0,0,0]=1 101 B7R1.1 C1CCC(C1)ON PI-47243 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.1 C1CCN(C1)N=O PI-47048 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.1 C1CNCC1CO PI-40189 [0,0,0,1,0,0|1,0,0]=2 104 B7R1.1 C1CNCC1CO PI-40190 [0,0,0,1,0,0|1,0,0]=2 105 B7R1.1 C1COCC1CBr PI-42703 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.1 C1COCC1CCl PI-42702 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.1 C1COCC1CO PI-41224 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.1 C1C[C@H](NC1)C#N PI-48319 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.1 CCN1CCCC1 PI-47092 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.1 COC1OCCO1 PI-47112 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.1 ICC1COCC1 PI-42704 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.1 NNC1CCCC1 PI-36366 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.1 NNC1CCCC1 PI-38997 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.1 OCC1CC=CC1 PI-35499 [0,0,0,1,0,0|0,0,2]=3 115 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.1 OC[C@H]1CCCN1 PI-16475 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.3 BrC1CCCOC1 PI-35181 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.3 BrC1CCOCC1 PI-35207 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.3 C1CC(=O)COC1 PI-39263 [0,0,0,1,0,0|1,0,2]=4 120 B7R1.3 C1CC(CNC1)Br PI-13262 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.3 C1CC(CNC1)F PI-48937 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.3 C1CC(CNC1)N PI-11065 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.3 C1CC(CNC1)N PI-27492 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.3 C1CC(CNC1)O PI-10129 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.3 C1CC(CNC1)O PI-11069 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.3 C1CC(CNC1)O PI-31252 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,0,0,1,0,0|1,0,2]=4 128 B7R1.3 C1CCN(CC1)N PI-34077 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.3 C1CCN(CC1)N PI-43331 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,0,0,1,0,0|1,0,2]=4 131 B7R1.3 C1CCNC(C1)Br PI-13261 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.3 C1CCNC(C1)O PI-11062 [0,0,0,1,0,0|1,0,0]=2 134 B7R1.3 C1CNCCC1=O PI-43209 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.3 C1CNCCC1Br PI-34736 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.3 C1CNCCC1Cl PI-13260 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.3 C1CNCCC1F PI-48939 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.3 C1CNCCC1N PI-12453 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.3 C1CNCCC1N PI-43332 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.3 C1CNCCC1O PI-43307 [0,0,0,1,0,0|1,0,0]=2 141 B7R1.3 C1COC(CN1)O PI-41771 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.3 C1COCCC1=O PI-47224 [0,0,0,1,0,0|1,0,2]=4 143 B7R1.3 C1COCCC1Cl PI-45093 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.3 C1COCCC1I PI-45407 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.3 C1COCCN1N PI-33201 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.3 C=C1CCNCC1 PI-41106 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.3 C=C1CCOCC1 PI-42723 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,1,0,0|1,0,1]=3 150 B7R1.3 CC1=CCOCC1 PI-42722 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.3 CC1CCOCO1 PI-47110 [0,0,0,1,0,0|1,0,0]=2 152 B7R1.3 CC1CNCCN1 PI-31297 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.3 CC1CNCCN1 PI-33175 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.3 CC1CNCCO1 PI-34764 [0,0,0,1,0,0|1,0,0]=2 155 B7R1.3 CC1SCCCS1 PI-25717 [0,0,0,1,0,0|1,1,0]=3 156 B7R1.3 CN1CCNCC1 PI-50345 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,0,0,1,0,0|1,0,0]=2 159 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,0,0,1,0,0|1,0,0]=2 160 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 NC1CCCCN1 PI-13252 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.3 NC1CCCNC1 PI-13253 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.3 NC1CCOCC1 PI-14135 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 NC1CCOCC1 PI-39008 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.3 O1CCCC(C1)O PI-42688 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.3 O=C1CCCCO1 PI-37295 [0,0,0,1,0,0|1,0,1]=3 169 B7R1.3 O=C1CCCNC1 PI-35479 [0,0,0,1,0,0|1,0,2]=4 170 B7R1.3 O=C1CCNCC1 PI-12489 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.3 O=C1CCNCC1 PI-37237 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.3 O=C1CCOCC1 PI-13776 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.3 O=C1CCSCC1 PI-40196 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.3 O=C1COCCO1 PI-44056 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 OC1CCNCC1 PI-31377 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.3 OC1CCOCC1 PI-37145 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,0,0,1,0,0|1,0,2]=4 180 B7R1.4 CC1C(CCO1)S PI-14229 [0,0,0,1,0,0|1,1,0]=3 181 B7R1.4 O=C1NCCC1C PI-27005 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,0,0,1,0,0|1,0,0]=2 185 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,0,0,1,0,0|1,0,0]=2 186 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,0,0,1,0,0|1,0,0]=2 187 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,0,0,1,0,0|1,0,0]=2 188 B7R1.6 NCCC1COC1 PI-36429 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.6 OCCC1COC1 PI-36428 [0,0,0,1,0,0|1,0,0]=2 190 B7R1.7 C=CCCC1CO1 PI-41845 [0,0,0,1,0,0|0,0,2]=3 191 B7R1.7 C=CCC[C@H]1CO1 PI-48268 [0,0,0,1,0,0|0,0,2]=3 192 B7R1.7 S=C=NCC1CC1 PI-20932 [0,0,0,1,0,0|1,1,1]=4 193 B7R1.24 C1CNCCNC1 PI-37834 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.24 C1CNCCOC1 PI-29260 [0,0,0,1,0,0|1,0,0]=2 195 B7R1.24 C1COCCNN1 PI-42054 [0,0,0,1,0,0|2,0,0]=3 196 B4R0.2 C#CCCO PI-16501 [2,0,0,0,0,0|0,0,2]=4 197 B4R0.2 C(CF)CF PI-21236 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.2 C(CF)CI PI-41494 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.2 C(CN)CN PI-19035 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.2 C(CN)CN PI-46906 [2,0,0,0,0,0|2,0,0]=4 201 B4R0.2 C(CN)CS PI-39174 [2,0,0,0,0,0|1,1,0]=4 202 B4R0.2 C(CO)CBr PI-15814 [2,0,0,0,0,0|1,0,0]=3 203 B4R0.2 C(CO)CI PI-50488 [2,0,0,0,0,0|1,0,0]=3 204 B4R0.2 C(CS)CS PI-11004 [2,0,0,0,0,0|1,1,0]=4 205 B4R0.2 CC#CCO PI-15652 [2,0,0,0,0,0|0,0,2]=4 206 B4R0.2 CC=CCO PI-41583 [2,0,0,0,0,0|0,0,2]=4 207 B4R0.2 CCCCCl PI-44613 [2,0,0,0,0,0|1,0,0]=3 208 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|1,0,0]=3 209 B4R0.2 COCCBr PI-21426 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.2 ClCCNC PI-41980 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.2 OCCCS PI-39546 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.1 C(CBr)C(CO)O PI-40398 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.1 C(CO)C(CO)O PI-28525 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.1 C(CO)C(CO)O PI-28767 [1,1,0,0,0,0|1,0,0]=3 215 B6R0.1 C(CO)C(CO)O PI-44643 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.1 CC(CCN)CO PI-48961 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.1 CCCC(=O)SC PI-48512 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.1 CCCC(C=C)O PI-15324 [1,1,0,0,0,0|0,0,2]=4 219 B6R0.1 CCCC(CC)Cl PI-46859 [1,1,0,0,0,0|0,0,0]=2 220 B6R0.1 CCCC(CO)O PI-13556 [1,1,0,0,0,0|0,0,0]=2 221 B6R0.1 CNCC(CO)O PI-34729 [1,1,0,0,0,0|1,0,0]=3 222 B6R0.1 C[C@@H](CCO)CO PI-48285 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.1 O=C(OC)CCO PI-41038 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.4 B(CCCC)(O)O PI-16470 [1,1,0,0,0,0|1,0,0]=3 225 B6R0.4 CCC#CC(C)O PI-10903 [1,1,0,0,0,0|0,0,2]=4 226 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,1,0,0,0,0|0,0,2]=4 227 B6R0.4 CCCCC(C)O PI-42555 [1,1,0,0,0,0|0,0,0]=2 228 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,1,0,0,0,0|0,0,0]=2 229 B6R0.4 CCNCC(=O)O PI-43211 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.4 CN(C)CCCCl PI-50389 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.4 CN(C)CCCO PI-31996 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.4 CNCCN(C)C PI-39257 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.4 CSCCC(=O)O PI-31992 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.4 ClCCCC(=O)C PI-39487 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.4 ClCCCN(C)C PI-34098 [1,1,0,0,0,0|2,0,0]=4 236 B6R0.4 NCCCC(=O)O PI-35917 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.4 O=C(O)CCCBr PI-40017 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.4 O=C(O)CCCCl PI-41227 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.4 OCCCC(=O)C PI-13555 [1,1,0,0,0,0|0,0,1]=3 240 B8R0.1 CCCCC(CCC)O PI-46865 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.1 CCOC(=O)CCCN PI-42166 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.1 CCOCC(C)OCC PI-44418 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.4 CCCCCC#CCBr PI-22217 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.4 CCCCCC=CCO PI-26231 [0,2,0,0,0,0|0,0,0]=2 246 B8R0.4 CCCCCCCCBr PI-44631 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.4 CCCCCCCCCl PI-44615 [0,2,0,0,0,0|1,0,0]=3 248 B8R0.4 CCCCC\C=C\C=O PI-38486 [0,2,0,0,0,0|0,0,2]=4 249 B8R0.4 CCCCNCCC#N PI-22875 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.4 CCCCSCCCC PI-48485 [0,2,0,0,0,0|1,0,0]=3 251 B8R0.4 CCOCCOCCBr PI-50169 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.4 COCCNCCOC PI-42682 [0,2,0,0,0,0|1,0,0]=3 253 B8R0.4 OCCCCCCC#C PI-40903 [0,2,0,0,0,0|0,0,0]=2 254 B8R0.6 C(CC=O)CC(C=O)O PI-42094 [0,2,0,0,0,0|1,0,1]=4 255 B8R0.6 CCCCCC(=O)NN PI-50287 [0,2,0,0,0,0|0,0,2]=4 256 B8R0.6 CCCCCC(C=C)O PI-39433 [0,2,0,0,0,0|0,0,0]=2 257 B8R0.6 CCCCCC(CC)O PI-42991 [0,2,0,0,0,0|0,0,0]=2 258 B8R0.6 CCCCC[C@@H](C=C)O PI-49834 [0,2,0,0,0,0|0,0,0]=2 259 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,2,0,0,0,0|1,0,1]=4 260 B8R0.7 B(CCCCCC)(O)O PI-25221 [0,2,0,0,0,0|0,0,0]=2 261 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [0,2,0,0,0,0|0,0,2]=4 262 B8R0.7 BrCCCCCC(=O)O PI-26630 [0,2,0,0,0,0|0,0,1]=3 263 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [0,2,0,0,0,0|0,0,2]=4 264 B8R0.7 CC(NCCCCO)C PI-39829 [0,2,0,0,0,0|0,0,0]=2 265 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [0,2,0,0,0,0|0,0,1]=3 266 B8R0.7 CCCCCCC(C)O PI-10350 [0,2,0,0,0,0|0,0,0]=2 267 B8R0.7 CCCCCOC(=O)Cl PI-24536 [0,2,0,0,0,0|0,0,2]=4 268 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [0,2,0,0,0,0|0,1,1]=4 269 B8R0.7 CCCC\C=C\B(O)O PI-18546 [0,2,0,0,0,0|0,0,2]=4 270 B8R0.7 O=C(O)CCCCCN PI-41159 [0,2,0,0,0,0|0,0,1]=3 271 B8R0.7 O=C(O)COCCCC PI-32593 [0,2,0,0,0,0|0,0,1]=3 272 B8R0.3 CCOC(=O)C(CO)N PI-30400 [0,2,0,0,0,0|1,0,1]=4 273 B8R0.3 CCOC(=O)C(N)CO PI-42130 [0,2,0,0,0,0|1,0,1]=4 274 B8R0.3 CCOC([C@@H](CO)N)=O PI-42157 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.3 O[C@@H](CC=O)[C@H](O)CO PI-24472 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [0,2,0,0,0,0|1,0,1]=4 278 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,2,0,0,0,0|0,0,2]=4 279 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [0,2,0,0,0,0|0,0,1]=3 280 B8R0.8 CSCCC(C(=O)O)N PI-16565 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,2,0,0,0,0|0,0,1]=3 284 B8R0.11 CCN(CC)CCCCl PI-41189 [0,2,0,0,0,0|2,0,0]=4 285 B8R0.11 COC(CCCBr)OC PI-35017 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.11 COC(CCCCl)OC PI-28354 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.19 CCC(SC(CC)C)C PI-39261 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.25 NCCCC(C)(C)CO PI-15874 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.5 CCOC(=O)CC(C)O PI-12942 [0,2,0,0,0,0|1,0,1]=4 290 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [0,2,0,0,0,0|1,0,1]=4 291 B8R0.21 C[Si](C)(CCCCCl)Cl PI-23671 [0,2,0,0,0,0|1,1,0]=4 292 B8R0.21 OP(CCCCN)(O)=O PI-40605 [0,2,0,0,0,0|2,0,0]=4 293 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,2,0,0,0,0|0,0,2]=4 294 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,2,0,0,0,0|1,0,1]=4 295 B8R0.22 CCCN(CCC)N=O PI-47047 [0,2,0,0,0,0|2,0,0]=4 296 B6R1.1 C1CCSCS1 PI-25616 [1,0,0,1,0,0|1,1,0]=4 297 B6R1.1 C1CNCCS1 PI-15689 [1,0,0,1,0,0|1,1,0]=4 298 B6R1.1 C1COCC=C1 PI-40555 [1,0,0,1,0,0|0,0,2]=4 299 B6R1.1 C1COCCN1 PI-42536 [1,0,0,1,0,0|1,0,0]=3 300 B6R1.1 C1CSCCO1 PI-40740 [1,0,0,1,0,0|1,0,0]=3 301 B6R1.1 C1CSCCS1 PI-25617 [1,0,0,1,0,0|1,1,0]=4 302 B6R1.2 C1CNCC1F PI-37496 [1,0,0,1,0,0|2,0,0]=4 303 B6R1.2 C1CNCC1N PI-12334 [1,0,0,1,0,0|2,0,0]=4 304 B6R1.2 C1CNCC1N PI-15467 [1,0,0,1,0,0|2,0,0]=4 305 B6R1.2 C1CNCC1N PI-15468 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.2 C1CNCC1N PI-16581 [1,0,0,1,0,0|2,0,0]=4 307 B6R1.2 C1CNCC1N PI-16582 [1,0,0,1,0,0|2,0,0]=4 308 B6R1.2 C1CNCC1O PI-10126 [1,0,0,1,0,0|1,0,0]=3 309 B6R1.2 C1CNCC1O PI-42733 [1,0,0,1,0,0|1,0,0]=3 310 B6R1.2 C1COCC1Cl PI-42699 [1,0,0,1,0,0|2,0,0]=4 311 B6R1.2 C1COCC1N PI-42643 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.2 C1COCC1N PI-44061 [1,0,0,1,0,0|2,0,0]=4 313 B6R1.2 C1COCC1O PI-42698 [1,0,0,1,0,0|1,0,0]=3 314 B6R1.2 C1CSCC1O PI-48171 [1,0,0,1,0,0|1,0,0]=3 315 B6R1.2 CC1CCCN1 PI-35484 [1,0,0,1,0,0|1,0,0]=3 316 B6R1.2 CC1CCCN1 PI-35485 [1,0,0,1,0,0|1,0,0]=3 317 B6R1.2 CC1CCCS1 PI-47093 [1,0,0,1,0,0|0,1,0]=3 318 B6R1.2 CC1CCNC1 PI-48326 [1,0,0,1,0,0|1,0,0]=3 319 B6R1.2 CC1CNCC1 PI-36287 [1,0,0,1,0,0|1,0,0]=3 320 B6R1.2 CN1CCCC1 PI-49852 [1,0,0,1,0,0|1,0,0]=3 321 B6R1.2 C[C@@H]1CCNC1 PI-48327 [1,0,0,1,0,0|1,0,0]=3 322 B6R1.2 FC1CNCC1 PI-38496 [1,0,0,1,0,0|2,0,0]=4 323 B6R1.2 F[C@@H]1CNCC1 PI-37497 [1,0,0,1,0,0|2,0,0]=4 324 B6R1.2 IC1COCC1 PI-42701 [1,0,0,1,0,0|2,0,0]=4 325 B6R1.2 NC1CCNC1 PI-42734 [1,0,0,1,0,0|2,0,0]=4 326 B6R1.2 NC1COCC1 PI-42705 [1,0,0,1,0,0|2,0,0]=4 327 B6R1.2 NN1CCCC1 PI-14899 [1,0,0,1,0,0|2,0,0]=4 328 B6R1.2 OC1CC=CC1 PI-38265 [1,0,0,1,0,0|0,0,2]=4 329 B6R1.2 OC1COCC1 PI-20870 [1,0,0,1,0,0|1,0,0]=3 330 B6R1.2 O[C@@H]1CCOC1 PI-41161 [1,0,0,1,0,0|1,0,0]=3 331 B6R1.2 O[C@@H]1CNCC1 PI-10127 [1,0,0,1,0,0|1,0,0]=3 332 B6R1.2 O[C@@H]1CNCC1 PI-12902 [1,0,0,1,0,0|1,0,0]=3 333 B6R1.2 O[C@H]1CCOC1 PI-41160 [1,0,0,1,0,0|1,0,0]=3 334 B6R1.2 O[C@H]1CNCC1 PI-10148 [1,0,0,1,0,0|1,0,0]=3 335 B6R1.3 C1CC1CCI PI-48331 [1,0,0,1,0,0|1,0,0]=3 336 B6R1.3 COCC1CO1 PI-24540 [1,0,0,1,0,0|1,0,0]=3 337 B6R1.3 COCC1CO1 PI-24541 [1,0,0,1,0,0|1,0,0]=3 338 B6R1.3 N#CCC1CC1 PI-13560 [1,0,0,1,0,0|1,0,1]=4 339 B6R1.3 OCCC1CC1 PI-17339 [1,0,0,1,0,0|0,0,0]=2 340 B6R1.6 BrCC1CCC1 PI-28204 [1,0,0,1,0,0|1,0,0]=3 341 B6R1.6 C1C(CO1)CO PI-48337 [1,0,0,1,0,0|1,0,0]=3 342 B6R1.6 C1CC(C1)CO PI-28530 [1,0,0,1,0,0|0,0,0]=2 343 B6R1.6 COC1CNC1 PI-36805 [1,0,0,1,0,0|2,0,0]=4 344 B6R1.6 COC1CNC1 PI-48292 [1,0,0,1,0,0|2,0,0]=4 345 B6R1.6 NCC1CCC1 PI-42247 [1,0,0,1,0,0|1,0,0]=3 346 B6R1.6 O=CC1CCC1 PI-36863 [1,0,0,1,0,0|0,0,2]=4 347 B6R1.6 OCC1COC1 PI-38455 [1,0,0,1,0,0|1,0,0]=3 348 B8R1.2 BrCC1CCCCC1 PI-33021 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.2 BrCC1CCCOC1 PI-39467 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.2 BrCC1CCNCC1 PI-36265 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.2 BrCC1CCOCC1 PI-14484 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.2 C#CC1CCOCC1 PI-45406 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.2 C(C1CCOCC1)O PI-40556 [0,1,0,1,0,0|0,0,0]=2 354 B8R1.2 C1CC(CNC1)CN PI-11064 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.2 C1CC(CNC1)CO PI-11066 [0,1,0,1,0,0|0,0,0]=2 356 B8R1.2 C1CC(OC=C1)CN PI-31375 [0,1,0,1,0,0|0,0,2]=4 357 B8R1.2 C1CC(OC=C1)CO PI-28456 [0,1,0,1,0,0|0,0,2]=4 358 B8R1.2 C1CCC(CC1)C#N PI-34206 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.2 C1CCC(CC1)CI PI-44086 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.2 C1CCC(CC1)NN PI-17833 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.2 C1CCC(CC1)NO PI-17940 [0,1,0,1,0,0|0,0,0]=2 362 B8R1.2 C1CCC(CC1)ON PI-47245 [0,1,0,1,0,0|0,0,0]=2 363 B8R1.2 C1CCN(CC1)C=O PI-33110 [0,1,0,1,0,0|0,0,2]=4 364 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,1,0,1,0,0|0,0,2]=4 365 B8R1.2 C1CCNC(C1)CO PI-11061 [0,1,0,1,0,0|0,0,0]=2 366 B8R1.2 C1CNCCC1C=O PI-13255 [0,1,0,1,0,0|0,0,2]=4 367 B8R1.2 C1CNCCC1CN PI-11070 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.2 C1CNCCC1CO PI-31327 [0,1,0,1,0,0|0,0,0]=2 369 B8R1.2 C1CN[C@H](CN1)CO PI-49244 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.2 C1COC(CN1)CO PI-41789 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.2 C1COC(CN1)CO PI-44022 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.2 C1COC(CN1)CO PI-44023 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.2 C1CO[C@@H](CO1)CO PI-48359 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.2 C1CO[C@H](CO1)CO PI-48360 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.2 C1C[C@@H](CNC1)CO PI-48081 [0,1,0,1,0,0|0,0,0]=2 376 B8R1.2 CCC1CCCCN1 PI-11060 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.2 CCC1CNCCN1 PI-40004 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.2 CCN1CCNCC1 PI-33488 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.2 CNC1CCCNC1 PI-11067 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.2 CNC1CCNCC1 PI-43342 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.2 CNC1CCNCC1 PI-43343 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.2 CNC1CCOCC1 PI-38449 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.2 COC1CCC=CO1 PI-42091 [0,1,0,1,0,0|0,0,2]=4 384 B8R1.2 COC1CCCNC1 PI-36380 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.2 COC1CCCNC1 PI-43328 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.2 COC1CCNCC1 PI-39354 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.2 COC1CCNCC1 PI-39359 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.2 N#CC1CCNCC1 PI-25574 [0,1,0,1,0,0|1,0,1]=4 389 B8R1.2 N#CC1CCOCC1 PI-39254 [0,1,0,1,0,0|1,0,1]=4 390 B8R1.2 NCC1CCCCC1 PI-34207 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.2 NCC1CCCCN1 PI-11059 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.2 NCC1CCOCC1 PI-14113 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.2 NOC1CCCCO1 PI-31842 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.2 O=CC1CCCCC1 PI-11615 [0,1,0,1,0,0|0,0,1]=3 395 B8R1.2 OCC1CCCCC1 PI-15325 [0,1,0,1,0,0|0,0,0]=2 396 B8R1.2 OCC1CCNCC1 PI-11073 [0,1,0,1,0,0|0,0,0]=2 397 B8R1.5 C1C(C(CSS1)O)O PI-25145 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,1,0,1,0,0|0,0,1]=3 399 B8R1.5 C1CCC(C(C1)N)O PI-30701 [0,1,0,1,0,0|0,0,0]=2 400 B8R1.5 C1CCC(C(C1)N)O PI-35193 [0,1,0,1,0,0|0,0,0]=2 401 B8R1.5 C1CCC(C(C1)N)O PI-35194 [0,1,0,1,0,0|0,0,0]=2 402 B8R1.5 C1CNC[C@H]([C@H]1O)F PI-49290 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.5 C1COCC(C1N)O PI-45087 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.5 CC1CCCCC1N PI-13571 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.5 CC1CNCCC1=O PI-43304 [0,1,0,1,0,0|0,0,2]=4 406 B8R1.5 CC1CNCCC1O PI-43324 [0,1,0,1,0,0|0,0,0]=2 407 B8R1.5 NC1CCCCC1O PI-17286 [0,1,0,1,0,0|0,0,0]=2 408 B8R1.5 N[C@@H]1CCCC[C@@H]1N PI-33717 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-13122 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-16574 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.5 N[C@@H]1CCCC[C@H]1N PI-31383 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.5 N[C@H]1CCCC[C@@H]1N PI-16575 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [0,1,0,1,0,0|0,0,0]=2 414 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [0,1,0,1,0,0|0,0,0]=2 415 B8R1.5 O=C1NCCCC1O PI-41426 [0,1,0,1,0,0|1,0,1]=4 416 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [0,1,0,1,0,0|0,0,0]=2 417 B8R1.8 C1CCN(C1)CCO PI-49853 [0,1,0,1,0,0|0,0,0]=2 418 B8R1.8 C1COC(O1)CCN PI-17178 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.8 CNCC1CCCO1 PI-45431 [0,1,0,1,0,0|0,0,0]=2 420 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.8 ClCCN1CCCC1 PI-16416 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.8 O=C=NC1CCCC1 PI-26670 [0,1,0,1,0,0|0,0,2]=4 423 B8R1.11 CCN1CCCC1=O PI-12779 [0,1,0,1,0,0|0,0,2]=4 424 B8R1.11 CN1CCCC1CO PI-28906 [0,1,0,1,0,0|0,0,0]=2 425 B8R1.11 OC[C@H]1N(C)CCC1 PI-28408 [0,1,0,1,0,0|0,0,0]=2 426 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,1,0,1,0,0|0,0,2]=4 427 B8R1.22 C1CCNCC(C1)N PI-15948 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.22 C=C1OCCCCO1 PI-46618 [0,1,0,1,0,0|0,0,2]=4 429 B8R1.22 CN1CCCNCC1 PI-34064 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.36 C#CCOCC1CO1 PI-40908 [0,1,0,1,0,0|0,0,2]=4 431 B8R1.36 C1CC1NCCC#N PI-17388 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.36 CCCNCC1CC1 PI-13558 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.1 C1C(C=CC1N)CO PI-35187 [0,1,0,1,0,0|0,0,2]=4 434 B8R1.1 C1C(CNC1CO)F PI-41993 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.1 C1[C@H](CN[C@@H]1CO)O PI-48269 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,1,0,1,0,0|1,0,1]=4 438 B8R1.1 CN1CCC(C1)CN PI-23405 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.1 CN1CC[C@H](C1)CO PI-48162 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.1 OC1CN(CC)CC1 PI-40304 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.3 C1C(SCC(S1)O)O PI-15243 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.3 C1CC(CCC1N)O PI-10861 [0,1,0,1,0,0|0,0,0]=2 445 B8R1.3 C1CC(CCC1N)O PI-45759 [0,1,0,1,0,0|0,0,0]=2 446 B8R1.3 C1CC(CCC1O)O PI-47036 [0,1,0,1,0,0|0,0,0]=2 447 B8R1.3 C1CC(NCC1Br)Br PI-13266 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.3 C1CC(NCC1Cl)N PI-14911 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,1,0,1,0,0|0,0,2]=4 450 B8R1.3 CC1CCC(CC1)N PI-12652 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.3 CC1CCC(CC1)N PI-13103 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.3 CC1CCC(CC1)N PI-13124 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.3 CC1CNC(CN1)C PI-11053 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.3 CN1CCC(CC1)Cl PI-12517 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.3 CN1CCC(CC1)Cl PI-16023 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.3 CN1CCC(CC1)N PI-14111 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.3 CN1CCC(CC1)O PI-43240 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,1,0,1,0,0|0,0,0]=2 459 B8R1.3 NC1CCC(CC1)N PI-37998 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.3 NC1CCC(CC1)O PI-17554 [0,1,0,1,0,0|0,0,0]=2 461 B8R1.3 N[C@H]1CC[C@@H](CC1)O PI-17994 [0,1,0,1,0,0|0,0,0]=2 462 B8R1.3 N[C@H]1CC[C@@H](O)CC1 PI-35848 [0,1,0,1,0,0|0,0,0]=2 463 B8R1.3 N[C@H]1CC[C@H](N)CC1 PI-17989 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.3 OC1OCC(OC1)O PI-37435 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.3 O[C@H]1CC[C@H](O)CC1 PI-47037 [0,1,0,1,0,0|0,0,0]=2 466 B8R1.52 CCC1(CCCC1)O PI-37576 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.52 CC[N+]1(C)CCCC1 PI-36564 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.52 NCC1(O)CCCC1 PI-36161 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.4 C1C(CNCC1Br)Br PI-13264 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.4 C1CC(CC(C1)O)N PI-34780 [0,1,0,1,0,0|0,0,0]=2 471 B8R1.4 C1CC(NC(C1)Br)Br PI-13265 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.4 CC1CC(CNC1)C PI-32523 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,1,0,1,0,0|0,0,2]=4 474 B8R1.4 CC1CCNC(C1)C PI-11063 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.4 CC1CN(CCN1)C PI-40975 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.4 CC1CNCC(N1)C PI-11769 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.4 CN1CCCC(C1)N PI-43339 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PI-12868 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,1,0,1,0,0|0,0,1]=3 480 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,1,0,0|0,0,1]=3 481 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,1,0,1,0,0|1,0,1]=4 484 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.7 C1CNCC1C(=O)O PI-25815 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.7 C1COCC1C(=O)O PI-42680 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,1,0,1,0,0|0,0,2]=4 488 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [0,1,0,1,0,0|0,0,2]=4 489 B8R1.7 ClP([CH-]1[CH2-][CH2-][CH2-][CH2-]1)Cl Cl.[Fe+2] [0,1,0,1,0,0|2,0,0]=4 490 B8R1.7 OB(C1COCC1)O PI-38479 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.7 OB(O)C1CCCC1 PI-20922 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,1,0,1,0,0|0,0,1]=3 493 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,1,0,1,0,0|1,0,1]=4 494 B8R1.7 OC(=O)C1CNCC1 PI-36920 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.72 C1CCNCC1(C)C PI-38949 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.72 C1CC[Si](CC1)(Cl)Cl PI-44561 [0,1,0,1,0,0|1,1,0]=4 498 B8R1.72 C1CC[Si](CC1)(Cl)Cl PI-45179 [0,1,0,1,0,0|1,1,0]=4 499 B8R1.72 C1CNCCC1(F)F PI-42692 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.72 CC1(C)CCNCC1 PI-40549 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.72 CC1(CCCNC1)O PI-43320 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.72 CC1(CCCNC1)O PI-43321 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.72 CC1(CCNCC1)O PI-43202 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.72 CC1(CNCCN1)C PI-48779 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.72 CC1(O)CCCCC1 PI-36472 [0,1,0,1,0,0|0,0,0]=2 506 B8R1.72 CC1(O)CCNCC1 PI-42681 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.72 FC1(F)CCCNC1 PI-39270 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.72 FC1(F)CCNCC1 PI-21235 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.72 NC1(C)CCOCC1 PI-40814 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.72 O=S1(=O)CCCCO1 PI-36820 [0,1,0,1,0,0|2,0,0]=4 511 B8R2.34 C1O[C@@H]2C[C@H]1NC2 PI-38119 [0,0,0,2,0,0|1,0,0]=3 512 B8R2.55 C1NCC2(C1)CC2 PI-39449 [0,0,0,2,0,0|2,0,0]=4 513 B8R2.42 C1CC2(C1)CCN2 PI-41944 [0,0,0,2,0,0|1,0,0]=3 514 B8R2.42 C1CC2(C1)CNC2 PI-48207 [0,0,0,2,0,0|2,0,0]=4