0 B5R1.1 C1C=CCN1 PI-36315 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 C1C=CCN1 PI-40188 [0,0,0,0,0,0|0,0,2]=2 2 B5R1.1 C1COC=C1 PI-45414 [0,0,0,0,0,0|1,0,2]=3 3 B5R1.1 N1N=CN=C1 PI-37189 [0,0,0,0,0,0|2,0,2]=4 4 B5R1.1 c1ccn[nH]1 PI-12159 [0,0,0,0,0,0|1,0,3]=4 5 B5R1.1 c1cnn[nH]1 PI-31137 [0,0,0,0,0,0|2,0,2]=4 6 B6R1.2 C1C=CCC1N PI-35476 [0,1,0,0,0,0|1,0,1]=3 7 B6R1.2 C1CNCC1F PI-37496 [0,1,0,0,0,0|0,0,0]=1 8 B6R1.2 C1CNCC1N PI-12334 [0,1,0,0,0,0|0,0,0]=1 9 B6R1.2 C1CNCC1N PI-15467 [0,1,0,0,0,0|0,0,0]=1 10 B6R1.2 C1CNCC1N PI-15468 [0,1,0,0,0,0|0,0,0]=1 11 B6R1.2 C1CNCC1N PI-16581 [0,1,0,0,0,0|0,0,0]=1 12 B6R1.2 C1CNCC1N PI-16582 [0,1,0,0,0,0|0,0,0]=1 13 B6R1.2 C1CNCC1O PI-10126 [0,1,0,0,0,0|0,0,0]=1 14 B6R1.2 C1CNCC1O PI-42733 [0,1,0,0,0,0|0,0,0]=1 15 B6R1.2 C1COC(=O)N1 PI-10783 [0,1,0,0,0,0|1,0,1]=3 16 B6R1.2 C1COCC1Cl PI-42699 [0,1,0,0,0,0|1,0,0]=2 17 B6R1.2 C1COCC1N PI-42643 [0,1,0,0,0,0|1,0,0]=2 18 B6R1.2 C1COCC1N PI-44061 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 C1COCC1O PI-42698 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 C1CSC(=S)N1 PI-33314 [0,1,0,0,0,0|1,0,1]=3 21 B6R1.2 C1CSCC1=O PI-11167 [0,1,0,0,0,0|1,0,1]=3 22 B6R1.2 C1CSCC1O PI-48171 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 CC1CCCN1 PI-35484 [0,1,0,0,0,0|0,0,0]=1 24 B6R1.2 CC1CCCN1 PI-35485 [0,1,0,0,0,0|0,0,0]=1 25 B6R1.2 CC1CCCS1 PI-47093 [0,1,0,0,0,0|1,0,0]=2 26 B6R1.2 CC1CCNC1 PI-48326 [0,1,0,0,0,0|0,0,0]=1 27 B6R1.2 CC1CNCC1 PI-36287 [0,1,0,0,0,0|0,0,0]=1 28 B6R1.2 CN1CCCC1 PI-49852 [0,1,0,0,0,0|0,0,0]=1 29 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,1,0,0,0,0|0,0,0]=1 30 B6R1.2 FC1CNCC1 PI-38496 [0,1,0,0,0,0|0,0,0]=1 31 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,1,0,0,0,0|0,0,0]=1 32 B6R1.2 IC1COCC1 PI-42701 [0,1,0,0,0,0|1,0,0]=2 33 B6R1.2 NC1=NCCS1 PI-15432 [0,1,0,0,0,0|1,0,2]=4 34 B6R1.2 NC1CCNC1 PI-42734 [0,1,0,0,0,0|0,0,0]=1 35 B6R1.2 NC1COCC1 PI-42705 [0,1,0,0,0,0|1,0,0]=2 36 B6R1.2 NN1CCCC1 PI-14899 [0,1,0,0,0,0|0,0,0]=1 37 B6R1.2 O=C1CC=CC1 PI-38266 [0,1,0,0,0,0|1,0,2]=4 38 B6R1.2 O=C1CCOC1 PI-42678 [0,1,0,0,0,0|1,0,1]=3 39 B6R1.2 O=C1NCNC1 PI-35001 [0,1,0,0,0,0|1,0,1]=3 40 B6R1.2 OC1CC=CC1 PI-38265 [0,1,0,0,0,0|1,0,1]=3 41 B6R1.2 OC1COCC1 PI-20870 [0,1,0,0,0,0|1,0,0]=2 42 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,1,0,0,0,0|1,0,0]=2 43 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,1,0,0,0,0|0,0,0]=1 44 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,1,0,0,0,0|0,0,0]=1 45 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,1,0,0,0,0|1,0,0]=2 46 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,1,0,0,0,0|0,0,0]=1 47 B4R0.2 C#CCCCl PI-38919 [0,0,1,0,0,0|1,0,2]=4 48 B4R0.2 C#CCCN PI-40906 [0,0,1,0,0,0|0,0,2]=3 49 B4R0.2 C#CCCO PI-16501 [0,0,1,0,0,0|1,0,2]=4 50 B4R0.2 C(CF)CF PI-21236 [0,0,1,0,0,0|2,0,0]=3 51 B4R0.2 C(CF)CI PI-41494 [0,0,1,0,0,0|2,0,0]=3 52 B4R0.2 C(CN)CN PI-19035 [0,0,1,0,0,0|1,0,0]=2 53 B4R0.2 C(CN)CN PI-46906 [0,0,1,0,0,0|1,0,0]=2 54 B4R0.2 C(CN)CS PI-39174 [0,0,1,0,0,0|1,0,0]=2 55 B4R0.2 C(CO)CBr PI-15814 [0,0,1,0,0,0|2,0,0]=3 56 B4R0.2 C(CO)CI PI-50488 [0,0,1,0,0,0|2,0,0]=3 57 B4R0.2 C(CS)CS PI-11004 [0,0,1,0,0,0|2,0,0]=3 58 B4R0.2 C=CCCBr PI-20589 [0,0,1,0,0,0|1,0,2]=4 59 B4R0.2 C=CCON PI-47075 [0,0,1,0,0,0|1,0,2]=4 60 B4R0.2 CC#CCBr PI-20598 [0,0,1,0,0,0|1,0,2]=4 61 B4R0.2 CC#CCO PI-15652 [0,0,1,0,0,0|1,0,2]=4 62 B4R0.2 CC=CCO PI-41583 [0,0,1,0,0,0|1,0,2]=4 63 B4R0.2 CCCCCl PI-44613 [0,0,1,0,0,0|1,0,0]=2 64 B4R0.2 CCCNC PI-39187 [0,0,1,0,0,0|0,0,0]=1 65 B4R0.2 CCOC=C PI-12733 [0,0,1,0,0,0|1,0,2]=4 66 B4R0.2 CNCC#N PI-14282 [0,0,1,0,0,0|1,0,1]=3 67 B4R0.2 CNCC=C PI-41121 [0,0,1,0,0,0|0,0,2]=3 68 B4R0.2 COCCBr PI-21426 [0,0,1,0,0,0|2,0,0]=3 69 B4R0.2 ClCCNC PI-41980 [0,0,1,0,0,0|1,0,0]=2 70 B4R0.2 NCCC#C PI-36764 [0,0,1,0,0,0|0,0,2]=3 71 B4R0.2 OCCCS PI-39546 [0,0,1,0,0,0|2,0,0]=3 72 B4R1.1 C1CNC1 PI-35164 [0,0,0,0,1,0|0,0,0]=1 73 B4R1.1 C1CNC1 PI-39009 [0,0,0,0,1,0|0,0,0]=1 74 B6R1.1 C1CCSCS1 PI-25616 [0,0,0,0,0,1|1,0,0]=2 75 B6R1.1 C1CNCCS1 PI-15689 [0,0,0,0,0,1|0,0,0]=1 76 B6R1.1 C1COCC=C1 PI-40555 [0,0,0,0,0,1|1,0,1]=3 77 B6R1.1 C1COCCN1 PI-42536 [0,0,0,0,0,1|0,0,0]=1 78 B6R1.1 C1CSCCO1 PI-40740 [0,0,0,0,0,1|1,0,0]=2 79 B6R1.1 C1CSCCS1 PI-25617 [0,0,0,0,0,1|1,0,0]=2 80 B3R0.1 C(CBr)Cl PI-44621 [1,0,1,0,0,0|2,0,0]=4 81 B3R0.1 C(CF)F PI-21164 [1,0,1,0,0,0|2,0,0]=4 82 B3R0.1 C(CS)N PI-39848 [1,0,1,0,0,0|1,0,0]=3 83 B3R0.1 C(F)CN PI-41615 [1,0,1,0,0,0|1,0,0]=3 84 B3R0.1 CCC=O PI-28552 [1,0,1,0,0,0|1,0,1]=4 85 B3R0.1 CCCN PI-46904 [1,0,1,0,0,0|0,0,0]=2 86 B3R0.1 CCCN PI-46913 [1,0,1,0,0,0|0,0,0]=2 87 B3R0.1 CNCC PI-40147 [1,0,1,0,0,0|0,0,0]=2 88 B3R0.1 COCBr PI-22152 [1,0,1,0,0,0|2,0,0]=4 89 B3R0.1 CONC PI-16632 [1,0,1,0,0,0|1,0,0]=3 90 B3R0.1 NCC#C PI-38458 [1,0,1,0,0,0|0,0,2]=4 91 B3R0.1 NCC#N PI-38793 [1,0,1,0,0,0|1,0,1]=4 92 B3R0.1 NCCN PI-38127 [1,0,1,0,0,0|1,0,0]=3 93 B3R0.1 NCCN PI-38389 [1,0,1,0,0,0|1,0,0]=3 94 B3R0.1 OCCBr PI-37291 [1,0,1,0,0,0|2,0,0]=4 95 B3R0.1 [CH2-]CCC PI-37346 [1,0,1,0,0,0|0,0,1]=3 96 B5R0.1 B(CCC)(O)O PI-35885 [0,1,1,0,0,0|2,0,0]=4 97 B5R0.1 BrCCN(C)C PI-41040 [0,1,1,0,0,0|1,0,0]=3 98 B5R0.1 CC(=C)CCBr PI-40493 [0,1,1,0,0,0|1,0,1]=4 99 B5R0.1 CC(=O)NCO PI-29791 [0,1,1,0,0,0|1,0,1]=4 100 B5R0.1 CC(CCO)N PI-34839 [0,1,1,0,0,0|1,0,0]=3 101 B5R0.1 CC(CCO)N PI-35494 [0,1,1,0,0,0|1,0,0]=3 102 B5R0.1 CC(CCO)O PI-15618 [0,1,1,0,0,0|1,0,0]=3 103 B5R0.1 CCCC(=O)N PI-32787 [0,1,1,0,0,0|0,0,1]=3 104 B5R0.1 CCCC(C)N PI-36925 [0,1,1,0,0,0|0,0,0]=2 105 B5R0.1 CCCC(C)O PI-42533 [0,1,1,0,0,0|1,0,0]=3 106 B5R0.1 CCC[C@@H](O)C PI-42532 [0,1,1,0,0,0|1,0,0]=3 107 B5R0.1 CCOC(=O)C PI-13192 [0,1,1,0,0,0|1,0,1]=4 108 B5R0.1 CCO[Si](C)C PI-50089 [0,1,1,0,0,0|1,1,0]=4 109 B5R0.1 CCSC(=O)C PI-48509 [0,1,1,0,0,0|1,0,1]=4 110 B5R0.1 CNCC(=O)O PI-45053 [0,1,1,0,0,0|1,0,1]=4 111 B5R0.1 COCC(O)C PI-12912 [0,1,1,0,0,0|1,0,0]=3 112 B5R0.1 CSCC(=O)N PI-36555 [0,1,1,0,0,0|1,0,1]=4 113 B5R0.1 C[C@@H](CC#N)N PI-48104 [0,1,1,0,0,0|0,0,2]=4 114 B5R0.1 C[C@H](CCO)N PI-35493 [0,1,1,0,0,0|1,0,0]=3 115 B5R0.1 NC(CCC)=N PI-37197 [0,1,1,0,0,0|0,0,1]=3 116 B5R0.1 NCCC(=O)O PI-14317 [0,1,1,0,0,0|1,0,1]=4 117 B5R0.1 O=S(CSC)C PI-39632 [0,1,1,0,0,0|2,0,0]=4 118 B5R0.1 OCC[C@H](O)C PI-15617 [0,1,1,0,0,0|1,0,0]=3 119 B5R0.2 BrCCCC=C PI-39146 [0,1,1,0,0,0|1,0,1]=4 120 B5R0.2 BrCCSCC PI-21417 [0,1,1,0,0,0|1,0,0]=3 121 B5R0.2 C(CC#N)CBr PI-41208 [0,1,1,0,0,0|0,0,2]=4 122 B5R0.2 C(CCBr)CCl PI-15812 [0,1,1,0,0,0|1,0,0]=3 123 B5R0.2 C(CCBr)CN PI-46910 [0,1,1,0,0,0|0,0,0]=2 124 B5R0.2 C(CCCl)CO PI-15813 [0,1,1,0,0,0|1,0,0]=3 125 B5R0.2 C(CCS)CS PI-11005 [0,1,1,0,0,0|1,0,0]=3 126 B5R0.2 C(CNN)C#N PI-50323 [0,1,1,0,0,0|1,0,1]=4 127 B5R0.2 CCCSSC PI-48493 [0,1,1,0,0,0|1,0,0]=3 128 B5R0.2 CCNCCN PI-13215 [0,1,1,0,0,0|0,0,0]=2 129 B5R0.2 CCO\C=C\C PI-12734 [0,1,1,0,0,0|1,0,1]=4 130 B5R0.2 CCSCCN PI-22120 [0,1,1,0,0,0|0,0,0]=2 131 B5R0.2 CCSSCC PI-45874 [0,1,1,0,0,0|1,0,0]=3 132 B5R0.2 CNCCNC PI-39066 [0,1,1,0,0,0|0,0,0]=2 133 B5R0.2 CNCCSC PI-35879 [0,1,1,0,0,0|0,0,0]=2 134 B5R0.2 COCCC=O PI-45882 [0,1,1,0,0,0|1,0,1]=4 135 B5R0.2 COCCCCl PI-38032 [0,1,1,0,0,0|1,0,0]=3 136 B5R0.2 COCCCO PI-10094 [0,1,1,0,0,0|1,0,0]=3 137 B5R0.2 CSCCC=O PI-45744 [0,1,1,0,0,0|1,0,1]=4 138 B5R0.2 ClCCCC#C PI-20198 [0,1,1,0,0,0|1,0,1]=4 139 B5R0.2 ClCCCC#N PI-38313 [0,1,1,0,0,0|0,0,2]=4 140 B5R0.2 FCCCCBr PI-14440 [0,1,1,0,0,0|1,0,0]=3 141 B5R0.2 NCCCCO PI-38298 [0,1,1,0,0,0|0,0,0]=2 142 B5R0.2 OCCCC#C PI-13238 [0,1,1,0,0,0|1,0,1]=4 143 B5R0.2 OCCCC=C PI-13243 [0,1,1,0,0,0|1,0,1]=4 144 B5R0.2 OCCCCBr PI-12762 [0,1,1,0,0,0|1,0,0]=3 145 B5R0.3 C(C(CBr)O)Br PI-47056 [0,1,1,0,0,0|2,0,0]=4 146 B5R0.3 C(C(CCl)O)F PI-20093 [0,1,1,0,0,0|2,0,0]=4 147 B5R0.3 C(C(CCl)O)O PI-16668 [0,1,1,0,0,0|2,0,0]=4 148 B5R0.3 C(C(CO)N)O PI-16192 [0,1,1,0,0,0|2,0,0]=4 149 B5R0.3 C(C(CO)O)N PI-10528 [0,1,1,0,0,0|1,0,0]=3 150 B5R0.3 C([C@@H](CCl)O)N PI-48662 [0,1,1,0,0,0|1,0,0]=3 151 B5R0.3 CCC(=O)CBr PI-20588 [0,1,1,0,0,0|1,0,1]=4 152 B5R0.3 CCC(=O)NN PI-50290 [0,1,1,0,0,0|1,0,1]=4 153 B5R0.3 CCC(CO)N PI-45910 [0,1,1,0,0,0|1,0,0]=3 154 B5R0.3 CNC(=O)CCl PI-39443 [0,1,1,0,0,0|1,0,1]=4 155 B5R0.3 NCC(O)CO PI-12972 [0,1,1,0,0,0|1,0,0]=3 156 B5R0.3 NC[C@H](O)CO PI-28266 [0,1,1,0,0,0|1,0,0]=3 157 B5R0.3 OCC(CO)N PI-10243 [0,1,1,0,0,0|2,0,0]=4 158 B5R0.3 OCC(O)CO PI-12961 [0,1,1,0,0,0|2,0,0]=4 159 B5R0.3 OC[C@H](O)CCl PI-16667 [0,1,1,0,0,0|2,0,0]=4 160 B5R1.2 BrC1CCC1 PI-37245 [0,1,0,0,1,0|0,0,0]=2 161 B5R1.2 C1C(=O)CN1 PI-48919 [0,1,0,0,1,0|0,0,1]=3 162 B5R1.2 FC1CNC1 PI-36097 [0,1,0,0,1,0|0,0,0]=2 163 B5R1.2 NC1CCC1 PI-15786 [0,1,0,0,1,0|0,0,0]=2 164 B5R1.2 NC1COC1 PI-41949 [0,1,0,0,1,0|1,0,0]=3 165 B5R1.2 O=C1CCC1 PI-36783 [0,1,0,0,1,0|0,0,1]=3 166 B5R1.2 O=C1COC1 PI-38969 [0,1,0,0,1,0|1,0,1]=4 167 B5R1.2 OC1CNC1 PI-20728 [0,1,0,0,1,0|0,0,0]=2 168 B5R1.2 OC1COC1 PI-38454 [0,1,0,0,1,0|1,0,0]=3 169 B7R1.3 BrC1CCCOC1 PI-35181 [0,1,0,0,0,1|1,0,0]=3 170 B7R1.3 BrC1CCOCC1 PI-35207 [0,1,0,0,0,1|1,0,0]=3 171 B7R1.3 C1CC(=O)COC1 PI-39263 [0,1,0,0,0,1|1,0,0]=3 172 B7R1.3 C1CC(CNC1)Br PI-13262 [0,1,0,0,0,1|0,0,0]=2 173 B7R1.3 C1CC(CNC1)F PI-48937 [0,1,0,0,0,1|0,0,0]=2 174 B7R1.3 C1CC(CNC1)N PI-11065 [0,1,0,0,0,1|0,0,0]=2 175 B7R1.3 C1CC(CNC1)N PI-27492 [0,1,0,0,0,1|0,0,0]=2 176 B7R1.3 C1CC(CNC1)O PI-10129 [0,1,0,0,0,1|0,0,0]=2 177 B7R1.3 C1CC(CNC1)O PI-11069 [0,1,0,0,0,1|0,0,0]=2 178 B7R1.3 C1CC(CNC1)O PI-31252 [0,1,0,0,0,1|0,0,0]=2 179 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,1,0,0,0,1|1,0,0]=3 180 B7R1.3 C1CCN(CC1)N PI-34077 [0,1,0,0,0,1|0,0,0]=2 181 B7R1.3 C1CCN(CC1)N PI-43331 [0,1,0,0,0,1|0,0,0]=2 182 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,1,0,0,0,1|0,0,0]=2 183 B7R1.3 C1CCNC(C1)Br PI-13261 [0,1,0,0,0,1|0,0,0]=2 184 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,1,0,0,0,1|0,0,0]=2 185 B7R1.3 C1CCNC(C1)O PI-11062 [0,1,0,0,0,1|0,0,0]=2 186 B7R1.3 C1CNCCC1=O PI-43209 [0,1,0,0,0,1|0,0,0]=2 187 B7R1.3 C1CNCCC1Br PI-34736 [0,1,0,0,0,1|0,0,0]=2 188 B7R1.3 C1CNCCC1Cl PI-13260 [0,1,0,0,0,1|0,0,0]=2 189 B7R1.3 C1CNCCC1F PI-48939 [0,1,0,0,0,1|0,0,0]=2 190 B7R1.3 C1CNCCC1N PI-12453 [0,1,0,0,0,1|0,0,0]=2 191 B7R1.3 C1CNCCC1N PI-43332 [0,1,0,0,0,1|0,0,0]=2 192 B7R1.3 C1CNCCC1O PI-43307 [0,1,0,0,0,1|0,0,0]=2 193 B7R1.3 C1COC(CN1)O PI-41771 [0,1,0,0,0,1|0,0,0]=2 194 B7R1.3 C1COCCC1=O PI-47224 [0,1,0,0,0,1|1,0,0]=3 195 B7R1.3 C1COCCC1Cl PI-45093 [0,1,0,0,0,1|1,0,0]=3 196 B7R1.3 C1COCCC1I PI-45407 [0,1,0,0,0,1|1,0,0]=3 197 B7R1.3 C1COCCN1N PI-33201 [0,1,0,0,0,1|0,0,0]=2 198 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,1,0,0,0,1|0,0,0]=2 199 B7R1.3 C=C1CCNCC1 PI-41106 [0,1,0,0,0,1|0,0,0]=2 200 B7R1.3 C=C1CCOCC1 PI-42723 [0,1,0,0,0,1|1,0,0]=3 201 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,0,0,1|1,0,0]=3 202 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,0,0,1|1,0,1]=4 203 B7R1.3 CC1CCOCO1 PI-47110 [0,1,0,0,0,1|1,0,0]=3 204 B7R1.3 CC1CNCCN1 PI-31297 [0,1,0,0,0,1|0,0,0]=2 205 B7R1.3 CC1CNCCN1 PI-33175 [0,1,0,0,0,1|0,0,0]=2 206 B7R1.3 CC1CNCCO1 PI-34764 [0,1,0,0,0,1|0,0,0]=2 207 B7R1.3 CC1SCCCS1 PI-25717 [0,1,0,0,0,1|1,0,0]=3 208 B7R1.3 CN1CCNCC1 PI-50345 [0,1,0,0,0,1|0,0,0]=2 209 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,1,0,0,0,1|0,0,0]=2 210 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,1,0,0,0,1|0,0,0]=2 211 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,1,0,0,0,1|0,0,0]=2 212 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,1,0,0,0,1|0,0,0]=2 213 B7R1.3 NC1CCCCN1 PI-13252 [0,1,0,0,0,1|0,0,0]=2 214 B7R1.3 NC1CCCNC1 PI-13253 [0,1,0,0,0,1|0,0,0]=2 215 B7R1.3 NC1CCOCC1 PI-14135 [0,1,0,0,0,1|1,0,0]=3 216 B7R1.3 NC1CCOCC1 PI-39008 [0,1,0,0,0,1|1,0,0]=3 217 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,1,0,0,0,1|0,0,0]=2 218 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,1,0,0,0,1|0,0,0]=2 219 B7R1.3 O1CCCC(C1)O PI-42688 [0,1,0,0,0,1|1,0,0]=3 220 B7R1.3 O=C1CCCCO1 PI-37295 [0,1,0,0,0,1|1,0,0]=3 221 B7R1.3 O=C1CCCNC1 PI-35479 [0,1,0,0,0,1|0,0,0]=2 222 B7R1.3 O=C1CCNCC1 PI-12489 [0,1,0,0,0,1|0,0,0]=2 223 B7R1.3 O=C1CCNCC1 PI-37237 [0,1,0,0,0,1|0,0,0]=2 224 B7R1.3 O=C1CCOCC1 PI-13776 [0,1,0,0,0,1|1,0,0]=3 225 B7R1.3 O=C1CCSCC1 PI-40196 [0,1,0,0,0,1|1,0,0]=3 226 B7R1.3 O=C1COCCN1 PI-38277 [0,1,0,0,0,1|0,0,1]=3 227 B7R1.3 O=C1COCCO1 PI-44056 [0,1,0,0,0,1|1,0,1]=4 228 B7R1.3 O=C1NCCNC1 PI-31800 [0,1,0,0,0,1|0,0,1]=3 229 B7R1.3 OC1CCNCC1 PI-31377 [0,1,0,0,0,1|0,0,0]=2 230 B7R1.3 OC1CCOCC1 PI-37145 [0,1,0,0,0,1|1,0,0]=3 231 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,1,0,0,0,1|0,0,0]=2 232 B7R1.1 C1CC(NC1)CN PI-35678 [0,2,0,0,0,0|0,0,0]=2 233 B7R1.1 C1CC(OC1)CBr PI-30089 [0,2,0,0,0,0|1,0,0]=3 234 B7R1.1 C1CCC(C1)CO PI-44131 [0,2,0,0,0,0|1,0,0]=3 235 B7R1.1 C1CCC(C1)ON PI-47243 [0,2,0,0,0,0|1,0,0]=3 236 B7R1.1 C1CCN(C1)N=O PI-47048 [0,2,0,0,0,0|0,0,0]=2 237 B7R1.1 C1CNCC1CO PI-40189 [0,2,0,0,0,0|0,0,0]=2 238 B7R1.1 C1CNCC1CO PI-40190 [0,2,0,0,0,0|0,0,0]=2 239 B7R1.1 C1COCC1CBr PI-42703 [0,2,0,0,0,0|1,0,0]=3 240 B7R1.1 C1COCC1CCl PI-42702 [0,2,0,0,0,0|1,0,0]=3 241 B7R1.1 C1COCC1CO PI-41224 [0,2,0,0,0,0|1,0,0]=3 242 B7R1.1 C1C[C@H](NC1)C#N PI-48319 [0,2,0,0,0,0|0,0,0]=2 243 B7R1.1 CCN1CCCC1 PI-47092 [0,2,0,0,0,0|0,0,0]=2 244 B7R1.1 COC1OCCO1 PI-47112 [0,2,0,0,0,0|2,0,0]=4 245 B7R1.1 ClCC1=NCCN1 PI-39638 [0,2,0,0,0,0|1,0,1]=4 246 B7R1.1 ICC1COCC1 PI-42704 [0,2,0,0,0,0|1,0,0]=3 247 B7R1.1 NNC1CCCC1 PI-36366 [0,2,0,0,0,0|1,0,0]=3 248 B7R1.1 NNC1CCCC1 PI-38997 [0,2,0,0,0,0|1,0,0]=3 249 B7R1.1 O=CC1=CCCC1 PI-39104 [0,2,0,0,0,0|1,0,1]=4 250 B7R1.1 OCC1CC=CC1 PI-35499 [0,2,0,0,0,0|1,0,1]=4 251 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [0,2,0,0,0,0|0,0,0]=2 252 B7R1.1 OC[C@H]1CCCN1 PI-16475 [0,2,0,0,0,0|0,0,0]=2 253 B7R1.2 C1C(CNC1=O)N PI-35851 [0,2,0,0,0,0|0,0,1]=3 254 B7R1.2 C1C(COC1=O)O PI-28663 [0,2,0,0,0,0|1,0,1]=4 255 B7R1.2 C1CC(CC1N)O PI-44226 [0,2,0,0,0,0|1,0,0]=3 256 B7R1.2 C1CC(CC1O)O PI-43989 [0,2,0,0,0,0|1,0,0]=3 257 B7R1.2 CC1CCC(C1)O PI-44641 [0,2,0,0,0,0|1,0,0]=3 258 B7R1.2 CC1COC(=O)N1 PI-35869 [0,2,0,0,0,0|1,0,1]=4 259 B7R1.2 CN1CCC(O)C1 PI-33498 [0,2,0,0,0,0|0,0,0]=2 260 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,2,0,0,0,0|1,0,1]=4 261 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,2,0,0,0,0|1,0,1]=4 262 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,2,0,0,0,0|1,0,1]=4 263 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,2,0,0,0,0|0,0,1]=3 264 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,2,0,0,0,0|0,0,1]=3 265 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,2,0,0,0,0|0,0,1]=3 266 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,2,0,0,0,0|1,0,1]=4 267 B7R1.4 BrC1=C(Br)CCC1 PI-24605 [0,2,0,0,0,0|1,0,1]=4 268 B7R1.4 BrC1CCOC1=O PI-37275 [0,2,0,0,0,0|1,0,1]=4 269 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,2,0,0,0,0|1,0,1]=4 270 B7R1.4 C1CNC(=O)C1N PI-48181 [0,2,0,0,0,0|0,0,1]=3 271 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,2,0,0,0,0|0,0,1]=3 272 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,2,0,0,0,0|0,0,1]=3 273 B7R1.4 C1COC(=O)C1N PI-45116 [0,2,0,0,0,0|1,0,1]=4 274 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,2,0,0,0,0|1,0,0]=3 275 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,2,0,0,0,0|1,0,1]=4 276 B7R1.4 CC1C(CCO1)S PI-14229 [0,2,0,0,0,0|1,0,0]=3 277 B7R1.4 NC1CONC1=O PI-38463 [0,2,0,0,0,0|1,0,1]=4 278 B7R1.4 O=C1NCCC1C PI-27005 [0,2,0,0,0,0|0,0,1]=3 279 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,2,0,0,0,0|1,0,1]=4 280 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,2,0,0,0,0|1,0,1]=4 281 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,2,0,0,0,0|1,0,0]=3 282 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,2,0,0,0,0|1,0,0]=3 283 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,2,0,0,0,0|1,0,0]=3 284 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,2,0,0,0,0|1,0,0]=3 285 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,2,0,0,0,0|1,0,0]=3 286 B7R1.14 C1CCC(C1)(F)F PI-21161 [0,2,0,0,0,0|1,0,0]=3 287 B7R1.14 CC1(NCCS1)C PI-11721 [0,2,0,0,0,0|1,0,0]=3 288 B7R1.14 CC1(O)CCCC1 PI-36469 [0,2,0,0,0,0|1,0,0]=3 289 B7R1.14 C[Si]1(CCCC1)C PI-45650 [0,2,0,0,0,0|1,0,0]=3 290 B7R1.14 FC1(F)CNCC1 PI-21240 [0,2,0,0,0,0|0,0,0]=2 291 B7R1.14 O=S1(=O)CCCO1 PI-32116 [0,2,0,0,0,0|2,0,0]=4 292 B5R1.3 BrCC1CC1 PI-12057 [0,0,1,1,0,0|1,0,0]=3 293 B5R1.3 C#CC1CC1 PI-12107 [0,0,1,1,0,0|1,0,1]=4 294 B5R1.3 C1C(O1)CO PI-10360 [0,0,1,1,0,0|2,0,0]=4 295 B5R1.3 C1CC1CN PI-17835 [0,0,1,1,0,0|0,0,0]=2 296 B5R1.3 C1CC1NN PI-45737 [0,0,1,1,0,0|1,0,0]=3 297 B5R1.3 ClCC1OC1 PI-37744 [0,0,1,1,0,0|2,0,0]=4 298 B5R1.3 ClC[C@@H]1CO1 PI-16630 [0,0,1,1,0,0|2,0,0]=4 299 B5R1.3 ClC[C@H]1CO1 PI-16629 [0,0,1,1,0,0|2,0,0]=4 300 B5R1.3 FCC1CO1 PI-22023 [0,0,1,1,0,0|2,0,0]=4 301 B5R1.3 N#CC1CC1 PI-31230 [0,0,1,1,0,0|0,0,2]=4 302 B5R1.3 NCC1CC1 PI-12825 [0,0,1,1,0,0|0,0,0]=2 303 B5R1.3 NNC1CC1 PI-38386 [0,0,1,1,0,0|1,0,0]=3 304 B5R1.3 O=CC1CC1 PI-39221 [0,0,1,1,0,0|1,0,1]=4 305 B5R1.3 OC[C@H]1CO1 PI-10359 [0,0,1,1,0,0|2,0,0]=4 306 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [0,0,1,1,0,0|1,0,0]=3 307 B7R2.13 C1CC2C(C1)O2 PI-35919 [0,0,0,1,0,1|1,0,0]=3 308 B7R2.13 O1CC2C(C1)O2 PI-22024 [0,0,0,1,0,1|1,0,0]=3 309 B7R1.24 C1CNCCNC1 PI-37834 [0,0,0,0,0,2|0,0,0]=2 310 B7R1.24 C1CNCCOC1 PI-29260 [0,0,0,0,0,2|0,0,0]=2 311 B7R1.24 C1COCCNN1 PI-42054 [0,0,0,0,0,2|0,0,0]=2