0 B5R0.2 BrCCCC=C PI-39146 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 BrCCSCC PI-21417 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C(=O)NNC=O PI-50265 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C(CBr)N=C=S PI-21421 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.2 C(CC#N)CBr PI-41208 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C(CCBr)CCl PI-15812 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 C(CCBr)CN PI-46910 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 C(CCCl)CO PI-15813 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.2 C(CCS)CS PI-11005 [0,0,0,0,0,0|1,1,1]=3 9 B5R0.2 C(CNN)C#N PI-50323 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 C=COCCO PI-12735 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 CCCSSC PI-48493 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 CCNCCN PI-13215 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.2 CCO\C=C\C PI-12734 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.2 CCSCCN PI-22120 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.2 CCSSCC PI-45874 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 CNCCNC PI-39066 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.2 CNCCSC PI-35879 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 COCCC=O PI-45882 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.2 COCCCCl PI-38032 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.2 COCCCO PI-10094 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.2 CSCCC=O PI-45744 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.2 ClCCCC#C PI-20198 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.2 ClCCCC#N PI-38313 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.2 ClCCN=C=O PI-22789 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.2 FCCCCBr PI-14440 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.2 NCCCCO PI-38298 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.2 O=CCCC=O PI-14232 [0,0,0,0,0,0|1,0,1]=2 28 B5R0.2 OCCCC#C PI-13238 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.2 OCCCC=C PI-13243 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.2 OCCCCBr PI-12762 [0,0,0,0,0,0|1,0,2]=3 31 B4R0.2 C#CCCCl PI-38919 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 C#CCCN PI-40906 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 C#CCCO PI-16501 [1,0,0,0,0,0|0,0,3]=4 34 B4R0.2 C(=O)[N-]C=O PI-42986 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 C(CF)CF PI-21236 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 C(CF)CI PI-41494 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 C(CN)CN PI-19035 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 C(CN)CN PI-46906 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 C(CN)CS PI-39174 [1,0,0,0,0,0|1,1,0]=3 40 B4R0.2 C(CO)CBr PI-15814 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.2 C(CO)CI PI-50488 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.2 C(CS)CS PI-11004 [1,0,0,0,0,0|1,1,0]=3 43 B4R0.2 C=CCCBr PI-20589 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.2 C=CCON PI-47075 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 CC#CCBr PI-20598 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 CC#CCO PI-15652 [1,0,0,0,0,0|0,0,3]=4 47 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|0,0,3]=4 48 B4R0.2 CCCCCl PI-44613 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.2 CCCNC PI-39187 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.2 CNCC#N PI-14282 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.2 COCCBr PI-21426 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.2 ClCCNC PI-41980 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 NCCC#C PI-36764 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.2 OCCCS PI-39546 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.1 C(C#N)C(CCl)O PI-16669 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 C(CBr)C(CO)O PI-40398 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.1 C(CO)C(CO)O PI-28525 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.1 C(CO)C(CO)O PI-28767 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.1 C(CO)C(CO)O PI-44643 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.1 CC(CC=O)SC PI-48524 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.1 CC(CCN)CO PI-48961 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.1 CCC(C)N=C=S PI-22956 [0,1,0,0,0,0|1,1,1]=4 65 B6R0.1 CCCC(=O)NN PI-23070 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 CCCC(=O)SC PI-48512 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.1 CCCC(C=C)O PI-15324 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.1 CCCC(CC)Cl PI-46859 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.1 CCCC(CO)O PI-13556 [0,1,0,0,0,0|0,0,2]=3 70 B6R0.1 CNCC(CO)O PI-34729 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.1 O[C@H](CCl)CC#N PI-10363 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 B(CCCC)(O)O PI-16470 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.4 BrC\C=C\C(=O)O PI-36796 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.4 C#CCCC(=O)O PI-30018 [0,1,0,0,0,0|0,0,2]=3 76 B6R0.4 C(C(=O)O)NC=O PI-33231 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.4 C(CC(=O)O)C#N PI-35487 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.4 C(CO[N+](=O)[O-])N PI-50153 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.4 CC(NCCS)=O PI-37034 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.4 CC=CCC(=O)O PI-47130 [0,1,0,0,0,0|0,0,2]=3 81 B6R0.4 CC=NNC(=O)N PI-26775 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,1,0,0,0,0|0,0,0]=1 83 B6R0.4 CCCCC(C)O PI-42555 [0,1,0,0,0,0|0,0,2]=3 84 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,1,0,0,0,0|0,0,2]=3 85 B6R0.4 CCCNC(=O)N PI-19783 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.4 CCNCC(=O)O PI-43211 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.4 CN(C)CCCCl PI-50389 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.4 CN(C)CCCO PI-31996 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.4 CN(C)CCON PI-47242 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.4 CNCCN(C)C PI-39257 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.4 CSCCC(=O)O PI-31992 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.4 ClCCCC(=O)C PI-39487 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.4 ClCCCN(C)C PI-34098 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.4 NC(=O)NCC#C PI-38748 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.4 NCCCC(=O)O PI-35917 [0,1,0,0,0,0|1,0,0]=2 96 B6R0.4 O=C(O)CCCBr PI-40017 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.4 O=C(O)CCCCl PI-41227 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.4 O=C\C=C/N(C)C PI-12739 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.4 OCCCC(=O)C PI-13555 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.4 [O-]C(=O)CNCO PI-36238 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.6 BrCCCCC#N PI-22651 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.6 BrCCCCC=C PI-39147 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.6 BrCCOCCBr PI-13583 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.6 BrCC[NH2+]CCBr PI-37244 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.6 C#CCCCCO PI-40904 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.6 C(CCBr)CCBr PI-44626 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.6 C(CCN)CCN PI-46858 [0,1,0,0,0,0|1,0,1]=3 108 B6R0.6 C(CCO)CCCl PI-44261 [0,1,0,0,0,0|0,0,2]=3 109 B6R0.6 C(CCS)CCS PI-11006 [0,1,0,0,0,0|0,1,1]=3 110 B6R0.6 C(CN=C=S)CBr PI-22582 [0,1,0,0,0,0|1,1,1]=4 111 B6R0.6 C(COCCN)N PI-47125 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.6 C=CCNCC=C PI-47080 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.6 CCCCCCN PI-46860 [0,1,0,0,0,0|1,0,1]=3 114 B6R0.6 CCCCCNC PI-21907 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.6 CCCCN=C=S PI-22957 [0,1,0,0,0,0|0,1,1]=3 116 B6R0.6 CCCOCCCl PI-47054 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.6 CCCSCCC PI-48482 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.6 CCC\C=C\C=O PI-40157 [0,1,0,0,0,0|0,0,1]=2 119 B6R0.6 CCNCCC#N PI-19315 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.6 CCOC=CC#N PI-37795 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.6 CNCCCNC PI-32197 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.6 COCCCCBr PI-39605 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.6 COCCOCCl PI-12842 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.6 ClCCCCC#C PI-19028 [0,1,0,0,0,0|1,0,1]=3 125 B6R0.6 ClCCCCC=O PI-34745 [0,1,0,0,0,0|0,0,0]=1 126 B6R0.6 ClCCCCCBr PI-10753 [0,1,0,0,0,0|1,0,1]=3 127 B6R0.6 ClCCNCCCl PI-37373 [0,1,0,0,0,0|2,0,1]=4 128 B6R1.1 C1CCSCS1 PI-25616 [0,0,0,1,0,0|1,1,1]=4 129 B6R1.1 C1CNCCS1 PI-15689 [0,0,0,1,0,0|1,1,1]=4 130 B6R1.1 C1COCC=C1 PI-40555 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.1 C1COCCN1 PI-42536 [0,0,0,1,0,0|1,0,2]=4 132 B6R1.1 C1CSCCO1 PI-40740 [0,0,0,1,0,0|1,0,2]=4 133 B6R1.1 C1CSCCS1 PI-25617 [0,0,0,1,0,0|1,1,1]=4 134 B6R1.2 C1C=CCC1N PI-35476 [0,0,0,1,0,0|2,0,1]=4 135 B6R1.2 C1CNCC1F PI-37496 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.2 C1CNCC1N PI-12334 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 C1CNCC1N PI-15467 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.2 C1CNCC1N PI-15468 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.2 C1CNCC1N PI-16581 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.2 C1CNCC1N PI-16582 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 C1CNCC1O PI-10126 [0,0,0,1,0,0|1,0,2]=4 142 B6R1.2 C1CNCC1O PI-42733 [0,0,0,1,0,0|1,0,2]=4 143 B6R1.2 C1COC(=O)N1 PI-10783 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.2 C1COCC1Cl PI-42699 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 C1COCC1N PI-42643 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 C1COCC1N PI-44061 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.2 C1COCC1O PI-42698 [0,0,0,1,0,0|1,0,2]=4 148 B6R1.2 C1CSC(=S)N1 PI-33314 [0,0,0,1,0,0|2,1,0]=4 149 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.2 C1CSCC1O PI-48171 [0,0,0,1,0,0|1,0,2]=4 151 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,1,0,0|1,0,2]=4 152 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,1,0,0|1,0,1]=3 153 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,1,0,0|1,0,1]=3 154 B6R1.2 CC1CCCS1 PI-47093 [0,0,0,1,0,0|0,1,1]=3 155 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.2 CN1CCCC1 PI-49852 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.2 FC1CNCC1 PI-38496 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 IC1COCC1 PI-42701 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.2 NC1=NCCS1 PI-15432 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.2 NC1CCNC1 PI-42734 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.2 NC1COCC1 PI-42705 [0,0,0,1,0,0|2,0,1]=4 165 B6R1.2 NN1CCCC1 PI-14899 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.2 O=C1CC=CC1 PI-38266 [0,0,0,1,0,0|0,0,2]=3 167 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,1,0,0|1,0,0]=2 168 B6R1.2 O=C1NCNC1 PI-35001 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.2 OC1CC=CC1 PI-38265 [0,0,0,1,0,0|2,0,1]=4 170 B6R1.2 OC1COCC1 PI-20870 [0,0,0,1,0,0|1,0,2]=4 171 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,0,0,1,0,0|1,0,2]=4 172 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,0,0,1,0,0|1,0,2]=4 173 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,0,0,1,0,0|1,0,2]=4 174 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,0,0,1,0,0|1,0,2]=4 175 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,0,0,1,0,0|1,0,2]=4 176 B6R1.3 C1CC1CCI PI-48331 [0,0,0,1,0,0|1,0,1]=3 177 B6R1.3 COCC1CO1 PI-24540 [0,0,0,1,0,0|1,0,2]=4 178 B6R1.3 COCC1CO1 PI-24541 [0,0,0,1,0,0|1,0,2]=4 179 B6R1.3 N#CCC1CC1 PI-13560 [0,0,0,1,0,0|1,0,1]=3 180 B6R1.3 OCCC1CC1 PI-17339 [0,0,0,1,0,0|0,0,2]=3 181 B6R1.6 BrCC1CCC1 PI-28204 [0,0,0,1,0,0|1,0,1]=3 182 B6R1.6 C1C(CO1)C=O PI-48343 [0,0,0,1,0,0|1,0,0]=2 183 B6R1.6 C1C(CO1)CO PI-48337 [0,0,0,1,0,0|1,0,2]=4 184 B6R1.6 C1CC(C1)CO PI-28530 [0,0,0,1,0,0|0,0,2]=3 185 B6R1.6 COC1CNC1 PI-36805 [0,0,0,1,0,0|3,0,0]=4 186 B6R1.6 COC1CNC1 PI-48292 [0,0,0,1,0,0|3,0,0]=4 187 B6R1.6 N#CC1CNC1 PI-36275 [0,0,0,1,0,0|2,0,1]=4 188 B6R1.6 NCC1CCC1 PI-42247 [0,0,0,1,0,0|1,0,1]=3 189 B6R1.6 O=CC1CCC1 PI-36863 [0,0,0,1,0,0|0,0,0]=1 190 B6R1.6 OCC1COC1 PI-38455 [0,0,0,1,0,0|1,0,2]=4 191 B3R0.1 C(CBr)Cl PI-44621 [2,0,0,0,0,0|2,0,0]=4 192 B3R0.1 C(CF)F PI-21164 [2,0,0,0,0,0|2,0,0]=4 193 B3R0.1 C(CS)N PI-39848 [2,0,0,0,0,0|1,1,0]=4 194 B3R0.1 C(F)CN PI-41615 [2,0,0,0,0,0|2,0,0]=4 195 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,0]=2 196 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,0]=3 197 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,0]=3 198 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,0]=3 199 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.1 NCCN PI-38127 [2,0,0,0,0,0|2,0,0]=4 202 B3R0.1 NCCN PI-38389 [2,0,0,0,0,0|2,0,0]=4 203 B3R0.1 NNC=O PI-38803 [2,0,0,0,0,0|2,0,0]=4 204 B3R0.1 OCCBr PI-37291 [2,0,0,0,0,0|1,0,1]=4 205 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|0,0,1]=3 206 B5R0.1 B(CCC)(O)O PI-35885 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.1 BrCCN(C)C PI-41040 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.1 CC#CC(=O)O PI-12861 [1,1,0,0,0,0|0,0,2]=4 212 B5R0.1 CC(=C)CCBr PI-40493 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.1 CC(=O)NCO PI-29791 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.1 CC(CCO)N PI-34839 [1,1,0,0,0,0|0,0,1]=3 215 B5R0.1 CC(CCO)N PI-35494 [1,1,0,0,0,0|0,0,1]=3 216 B5R0.1 CC(CCO)O PI-15618 [1,1,0,0,0,0|0,0,1]=3 217 B5R0.1 CC=CC(=O)C PI-45740 [1,1,0,0,0,0|0,0,2]=4 218 B5R0.1 CCCC(=O)N PI-32787 [1,1,0,0,0,0|0,0,0]=2 219 B5R0.1 CCCC(C)N PI-36925 [1,1,0,0,0,0|0,0,1]=3 220 B5R0.1 CCCC(C)O PI-42533 [1,1,0,0,0,0|0,0,1]=3 221 B5R0.1 CCC[C@@H](O)C PI-42532 [1,1,0,0,0,0|0,0,1]=3 222 B5R0.1 CCOC(=O)C PI-13192 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.1 CCOC(=S)[S-] PI-47063 [1,1,0,0,0,0|1,1,0]=4 224 B5R0.1 CCSC(=O)C PI-48509 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.1 CCSC(=O)Cl PI-38596 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.1 CNCC(=O)O PI-45053 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.1 COCC(O)C PI-12912 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.1 CSCC(=O)N PI-36555 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.1 C[C@@H](CC#N)N PI-48104 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.1 C[C@H](CCO)N PI-35493 [1,1,0,0,0,0|0,0,1]=3 231 B5R0.1 C\C=C\C(=O)N PI-50568 [1,1,0,0,0,0|0,0,2]=4 232 B5R0.1 C\C=C\C(=O)O PI-48966 [1,1,0,0,0,0|0,0,2]=4 233 B5R0.1 NC(CCC)=N PI-37197 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.1 NCCC(=O)O PI-14317 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.1 O=C(O)CCS PI-40342 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.1 O=C=NC(C)C PI-11403 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.1 O=S(CSC)C PI-39632 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.1 OC(CON)=O PI-37190 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.1 OCCC(=C)Br PI-34814 [1,1,0,0,0,0|1,0,1]=4 240 B5R0.1 OCCC(=O)O PI-20855 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.1 OCC[C@H](O)C PI-15617 [1,1,0,0,0,0|0,0,1]=3 242 B5R0.3 C(=O)C(C=O)Br PI-39607 [1,1,0,0,0,0|1,0,1]=4 243 B5R0.3 C(=O)C(C=O)Cl PI-39590 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.3 C(C(C=O)O)O PI-14881 [1,1,0,0,0,0|1,0,0]=3 245 B5R0.3 C(C(CBr)O)Br PI-47056 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.3 C(C(CCl)O)F PI-20093 [1,1,0,0,0,0|2,0,0]=4 247 B5R0.3 C(C(CCl)O)O PI-16668 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.3 C(C(CO)N)O PI-16192 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.3 C(C(CO)O)N PI-10528 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.3 C([C@@H](CCl)O)N PI-48662 [1,1,0,0,0,0|2,0,0]=4 251 B5R0.3 C=C[C@H](CO)N PI-48191 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.3 CCC(=C)C=O PI-44654 [1,1,0,0,0,0|0,0,1]=3 253 B5R0.3 CCC(=O)CBr PI-20588 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.3 CCC(CO)N PI-45910 [1,1,0,0,0,0|0,0,1]=3 255 B5R0.3 NCC(O)CO PI-12972 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.3 NC[C@H](O)CO PI-28266 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.3 N[C@H](CO)C=C PI-36414 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.3 OCC(CO)N PI-10243 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.3 OCC(O)CO PI-12961 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.3 OC[C@H](O)CCl PI-16667 [1,1,0,0,0,0|1,0,1]=4 262 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.2 CC(C)CC(CO)N PI-35868 [0,2,0,0,0,0|0,0,2]=4 264 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.2 NC(C)CC(C)CC PI-36995 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,2,0,0,0,0|0,0,2]=4 270 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,2,0,0,0,0|1,0,0]=3 271 B7R0.3 CCCCC(=O)NN PI-50263 [0,2,0,0,0,0|0,0,0]=2 272 B7R0.3 COC(=O)CCC#C PI-39349 [0,2,0,0,0,0|0,0,2]=4 273 B7R0.3 COC(=O)CCC=O PI-48276 [0,2,0,0,0,0|0,0,1]=3 274 B7R0.3 COC(=O)CCCBr PI-44980 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.3 COC(=O)CCCN PI-42165 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.3 COC(=O)CCSC PI-45979 [0,2,0,0,0,0|1,0,0]=3 277 B7R0.3 COC(=O)CNC=O PI-33232 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.3 COCCC(=O)NN PI-50294 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.3 CSCCC(C#N)O PI-49851 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.3 O=C(OC)CCNC PI-40057 [0,2,0,0,0,0|1,0,0]=3 281 B7R0.5 C#CCC(C(=O)O)N PI-43612 [0,2,0,0,0,0|0,0,2]=4 282 B7R0.5 C#CCC(C(=O)O)N PI-43896 [0,2,0,0,0,0|0,0,2]=4 283 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [0,2,0,0,0,0|1,0,0]=3 285 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [0,2,0,0,0,0|1,0,0]=3 286 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [0,2,0,0,0,0|1,0,0]=3 287 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.5 C=CCC(C(=O)O)N PI-43236 [0,2,0,0,0,0|0,0,2]=4 289 B7R0.5 C=CCC(C(=O)O)N PI-43396 [0,2,0,0,0,0|0,0,2]=4 290 B7R0.5 CCCC(C(=O)O)Br PI-44608 [0,2,0,0,0,0|0,0,0]=2 291 B7R0.5 CCCC(C(=O)O)N PI-13494 [0,2,0,0,0,0|0,0,0]=2 292 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [0,2,0,0,0,0|0,0,0]=2 293 B7R0.5 COCC(C(=O)O)N PI-14934 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.5 COCC(C(=O)O)N PI-14935 [0,2,0,0,0,0|1,0,0]=3 295 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [0,2,0,0,0,0|1,0,0]=3 296 B7R0.5 NC(CC=C)C(O)=O PI-29913 [0,2,0,0,0,0|0,0,2]=4 297 B7R0.5 NC(CCBr)C(=O)O PI-36244 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.5 NC(CCO)C(O)=O PI-41434 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.5 NC(CCS)C(=O)O PI-27603 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.5 NCCC(C(=O)O)N PI-27828 [0,2,0,0,0,0|1,0,0]=3 301 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.7 C=CCC(CC=C)O PI-46529 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.7 CC(CCBr)CCBr PI-25581 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.7 CCCC(CCC)N PI-15988 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.7 CCCC(S)CCO PI-37281 [0,2,0,0,0,0|0,0,2]=4 310 B7R0.7 COCC(N)COC PI-36402 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.7 CSCC(CNN)O PI-45806 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.10 CCC(C(C)CO)S PI-48470 [0,2,0,0,0,0|0,0,2]=4 313 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [0,2,0,0,0,0|0,0,2]=4 314 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.11 CC(C)(CC=C)C=O PI-34825 [0,2,0,0,0,0|0,0,2]=4 316 B7R0.12 CCCC(CO)CO PI-44018 [0,2,0,0,0,0|0,0,2]=4 317 B7R0.4 BrCCCCC(=O)Cl PI-15616 [0,2,0,0,0,0|0,0,0]=2 318 B7R0.4 BrCCCCC(=O)O PI-11341 [0,2,0,0,0,0|0,0,0]=2 319 B7R0.4 C#CCCCC(O)=O PI-37286 [0,2,0,0,0,0|0,0,1]=3 320 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [0,2,0,0,0,0|0,0,0]=2 321 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [0,2,0,0,0,0|0,0,0]=2 322 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,2,0,0,0,0|1,0,0]=3 323 B7R0.4 CC(=O)CCCCCl PI-28023 [0,2,0,0,0,0|0,0,0]=2 324 B7R0.4 CCCCCB(O)O PI-37261 [0,2,0,0,0,0|0,0,2]=4 325 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,2,0,0,0,0|0,0,2]=4 326 B7R0.4 CCCCNC(=S)N PI-23056 [0,2,0,0,0,0|0,1,0]=3 327 B7R0.4 CCCCOC(=S)[S-] PI-47064 [0,2,0,0,0,0|0,1,0]=3 328 B7R0.4 CCCOCC(=O)O PI-32592 [0,2,0,0,0,0|0,0,0]=2 329 B7R0.4 CCO\C=C\C(=O)O PI-41236 [0,2,0,0,0,0|0,0,2]=4 330 B7R0.4 CN(C)CCCCN PI-23376 [0,2,0,0,0,0|1,0,1]=4 331 B7R0.4 CNCCCN(C)C PI-19630 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.4 COCCOC(=O)C PI-12910 [0,2,0,0,0,0|1,0,0]=3 333 B7R0.4 NCCCCC(=O)O PI-30804 [0,2,0,0,0,0|0,0,0]=2 334 B7R0.4 O=C(O)CNCC=C PI-37297 [0,2,0,0,0,0|0,0,2]=4 335 B7R0.4 OC(=O)CCCCN PI-40783 [0,2,0,0,0,0|0,0,0]=2 336 B7R0.6 C(CC(=O)[O-])C(=O)[O-] PI-13200 [0,2,0,0,0,0|1,0,1]=4 337 B7R0.6 C(C[N+](=O)[O-])C(=O)O PI-41737 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,2,0,0,0,0|1,0,1]=4 339 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,2,0,0,0,0|0,0,1]=3 340 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,2,0,0,0,0|1,0,1]=4 341 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.6 CC(=O)OCC(F)F PI-21167 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,2,0,0,0,0|0,0,0]=2 346 B7R0.6 CC(C)CCC(C)N PI-49380 [0,2,0,0,0,0|1,0,1]=4 347 B7R0.6 CC(C)CCC(C)O PI-30803 [0,2,0,0,0,0|0,0,2]=4 348 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [0,2,0,0,0,0|0,0,2]=4 349 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,2,0,0,0,0|1,0,0]=3 350 B7R0.6 O=C([O-])CCC([O-])=O PI-13219 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.8 BrCCCS(=O)([O-])=O PI-40818 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.8 C(CN)CP(=O)(O)O PI-19098 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.8 C(CS(=O)(=O)Cl)CCl PI-35853 [0,2,0,0,0,0|2,0,0]=4 354 B7R0.8 C(CS)CS(=O)(=O)[O-] PI-45783 [0,2,0,0,0,0|2,0,0]=4 355 B7R0.8 CCCC[Si](C)(C)Cl PI-22927 [0,2,0,0,0,0|1,1,0]=4 356 B7R0.8 CCCNS(=O)(=O)N PI-45807 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.8 CCCNS(=O)(=O)[NH-] PI-43283 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.8 CCCNS(=O)(=O)[NH-] PI-46000 [0,2,0,0,0,0|2,0,0]=4 359 B7R0.8 O=S(CCCN)(O)=O PI-42473 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.1 BrCCCCCC#N PI-21504 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.1 C(CCCBr)CCO PI-39099 [0,2,0,0,0,0|0,0,2]=4 362 B7R0.1 C(CCCCl)CCCl PI-44616 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.1 C(CCCS)CCO PI-40491 [0,2,0,0,0,0|0,0,2]=4 364 B7R0.1 C(CCCS)CCS PI-35928 [0,2,0,0,0,0|0,1,1]=4 365 B7R0.1 C=CCCCN=C=S PI-37124 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.1 CCCCCCCBr PI-44628 [0,2,0,0,0,0|1,0,1]=4 367 B7R0.1 CCCCCN=C=O PI-11407 [0,2,0,0,0,0|0,0,1]=3 368 B7R0.1 CCCCNCCN PI-15624 [0,2,0,0,0,0|1,0,1]=4 369 B7R0.1 CCCSSCCC PI-48483 [0,2,0,0,0,0|1,0,1]=4 370 B7R0.1 COCCCCCBr PI-50168 [0,2,0,0,0,0|0,0,2]=4 371 B7R0.1 OCCCCCCCl PI-37141 [0,2,0,0,0,0|0,0,2]=4 372 B7R0.1 OCCCCCCN PI-40365 [0,2,0,0,0,0|0,0,2]=4 373 B7R0.1 OCCCCOC=C PI-12738 [0,2,0,0,0,0|1,0,0]=3 374 B5R1.1 C1C=CCN1 PI-36315 [1,0,0,1,0,0|1,0,1]=4 375 B5R1.1 C1C=CCN1 PI-40188 [1,0,0,1,0,0|1,0,1]=4 376 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|0,0,2]=4 377 B5R1.2 BrC1CCC1 PI-37245 [1,0,0,1,0,0|1,0,0]=3 378 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,1,0,0|1,0,0]=3 379 B5R1.2 FC1CNC1 PI-36097 [1,0,0,1,0,0|2,0,0]=4 380 B5R1.2 NC1CCC1 PI-15786 [1,0,0,1,0,0|1,0,0]=3 381 B5R1.2 NC1COC1 PI-41949 [1,0,0,1,0,0|2,0,0]=4 382 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|0,0,0]=2 383 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|1,0,0]=3 384 B5R1.2 OC1CNC1 PI-20728 [1,0,0,1,0,0|1,0,1]=4 385 B5R1.2 OC1COC1 PI-38454 [1,0,0,1,0,0|1,0,1]=4 386 B5R1.3 BrCC1CC1 PI-12057 [1,0,0,1,0,0|1,0,0]=3 387 B5R1.3 C#CC1CC1 PI-12107 [1,0,0,1,0,0|0,0,2]=4 388 B5R1.3 C1C(O1)CO PI-10360 [1,0,0,1,0,0|1,0,1]=4 389 B5R1.3 C1CC1CN PI-17835 [1,0,0,1,0,0|1,0,0]=3 390 B5R1.3 C1CC1NN PI-45737 [1,0,0,1,0,0|2,0,0]=4 391 B5R1.3 ClCC1OC1 PI-37744 [1,0,0,1,0,0|1,0,1]=4 392 B5R1.3 ClC[C@@H]1CO1 PI-16630 [1,0,0,1,0,0|1,0,1]=4 393 B5R1.3 ClC[C@H]1CO1 PI-16629 [1,0,0,1,0,0|1,0,1]=4 394 B5R1.3 FCC1CO1 PI-22023 [1,0,0,1,0,0|1,0,1]=4 395 B5R1.3 N#CC1CC1 PI-31230 [1,0,0,1,0,0|1,0,1]=4 396 B5R1.3 NCC1CC1 PI-12825 [1,0,0,1,0,0|1,0,0]=3 397 B5R1.3 NNC1CC1 PI-38386 [1,0,0,1,0,0|2,0,0]=4 398 B5R1.3 O=CC1CC1 PI-39221 [1,0,0,1,0,0|0,0,0]=2 399 B5R1.3 OC[C@H]1CO1 PI-10359 [1,0,0,1,0,0|1,0,1]=4 400 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.1 C1CC(NC1)CN PI-35678 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.1 C1CC(OC1)CBr PI-30089 [0,1,0,1,0,0|0,0,2]=4 403 B7R1.1 C1CCC(C1)CO PI-44131 [0,1,0,1,0,0|0,0,2]=4 404 B7R1.1 C1CCC(C1)ON PI-47243 [0,1,0,1,0,0|0,0,2]=4 405 B7R1.1 C1CCN(C1)N=O PI-47048 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.1 C1CNCC1CO PI-40189 [0,1,0,1,0,0|0,0,2]=4 407 B7R1.1 C1CNCC1CO PI-40190 [0,1,0,1,0,0|0,0,2]=4 408 B7R1.1 C1COCC1CBr PI-42703 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.1 C1COCC1CCl PI-42702 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.1 C1COCC1CO PI-41224 [0,1,0,1,0,0|0,0,2]=4 411 B7R1.1 C1C[C@H](NC1)C#N PI-48319 [0,1,0,1,0,0|1,0,1]=4 412 B7R1.1 CCN1CCCC1 PI-47092 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.1 ICC1COCC1 PI-42704 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.1 NNC1CCCC1 PI-36366 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.1 NNC1CCCC1 PI-38997 [0,1,0,1,0,0|1,0,1]=4 416 B7R1.1 O=CC1=CCCC1 PI-39104 [0,1,0,1,0,0|0,0,1]=3 417 B7R1.1 OCC1CC=CC1 PI-35499 [0,1,0,1,0,0|1,0,1]=4 418 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [0,1,0,1,0,0|0,0,2]=4 419 B7R1.1 OC[C@H]1CCCN1 PI-16475 [0,1,0,1,0,0|0,0,2]=4 420 B7R1.2 C1C(=O)COC1=O PI-17979 [0,1,0,1,0,0|1,0,1]=4 421 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,1,0,1,0,0|0,0,2]=4 422 B7R1.2 C1C(CNC1=O)N PI-35851 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.2 C1CC(CC1N)O PI-44226 [0,1,0,1,0,0|0,0,2]=4 425 B7R1.2 C1CC(CC1O)O PI-43989 [0,1,0,1,0,0|0,0,2]=4 426 B7R1.2 CC1CCC(C1)O PI-44641 [0,1,0,1,0,0|0,0,2]=4 427 B7R1.2 CC1COC(=O)N1 PI-35869 [0,1,0,1,0,0|1,0,0]=3 428 B7R1.2 CN1CCC(O)C1 PI-33498 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|0,0,0]=2 430 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,1,0,1,0,0|1,0,0]=3 431 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,1,0,0|1,0,0]=3 434 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,1,0,1,0,0|1,0,0]=3 436 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,1,0,0|1,0,0]=3 438 B7R1.3 BrC1CCCOC1 PI-35181 [0,1,0,1,0,0|0,0,2]=4 439 B7R1.3 BrC1CCOCC1 PI-35207 [0,1,0,1,0,0|0,0,2]=4 440 B7R1.3 C1CC(=O)COC1 PI-39263 [0,1,0,1,0,0|0,0,0]=2 441 B7R1.3 C1CC(CNC1)Br PI-13262 [0,1,0,1,0,0|1,0,1]=4 442 B7R1.3 C1CC(CNC1)F PI-48937 [0,1,0,1,0,0|1,0,1]=4 443 B7R1.3 C1CC(CNC1)N PI-11065 [0,1,0,1,0,0|1,0,1]=4 444 B7R1.3 C1CC(CNC1)N PI-27492 [0,1,0,1,0,0|1,0,1]=4 445 B7R1.3 C1CC(CNC1)O PI-10129 [0,1,0,1,0,0|0,0,2]=4 446 B7R1.3 C1CC(CNC1)O PI-11069 [0,1,0,1,0,0|0,0,2]=4 447 B7R1.3 C1CC(CNC1)O PI-31252 [0,1,0,1,0,0|0,0,2]=4 448 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.3 C1CCN(CC1)N PI-34077 [0,1,0,1,0,0|1,0,1]=4 450 B7R1.3 C1CCN(CC1)N PI-43331 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,1,0,1,0,0|0,0,0]=2 452 B7R1.3 C1CCNC(C1)Br PI-13261 [0,1,0,1,0,0|1,0,1]=4 453 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,1,0,1,0,0|1,0,1]=4 454 B7R1.3 C1CCNC(C1)O PI-11062 [0,1,0,1,0,0|0,0,2]=4 455 B7R1.3 C1CNCCC1=O PI-43209 [0,1,0,1,0,0|0,0,0]=2 456 B7R1.3 C1CNCCC1Br PI-34736 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.3 C1CNCCC1Cl PI-13260 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.3 C1CNCCC1F PI-48939 [0,1,0,1,0,0|1,0,1]=4 459 B7R1.3 C1CNCCC1N PI-12453 [0,1,0,1,0,0|1,0,1]=4 460 B7R1.3 C1CNCCC1N PI-43332 [0,1,0,1,0,0|1,0,1]=4 461 B7R1.3 C1CNCCC1O PI-43307 [0,1,0,1,0,0|0,0,2]=4 462 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,1,0,1,0,0|0,0,2]=4 463 B7R1.3 C1COCCC1=O PI-47224 [0,1,0,1,0,0|0,0,0]=2 464 B7R1.3 C1COCCC1Cl PI-45093 [0,1,0,1,0,0|0,0,2]=4 465 B7R1.3 C1COCCC1I PI-45407 [0,1,0,1,0,0|0,0,2]=4 466 B7R1.3 C1COCCN1N PI-33201 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.3 C=C1CCNCC1 PI-41106 [0,1,0,1,0,0|1,0,0]=3 469 B7R1.3 C=C1CCOCC1 PI-42723 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,1,0,0|1,0,1]=4 472 B7R1.3 CC1CCOCO1 PI-47110 [0,1,0,1,0,0|0,0,2]=4 473 B7R1.3 CC1CNCCN1 PI-31297 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.3 CC1CNCCN1 PI-33175 [0,1,0,1,0,0|1,0,1]=4 475 B7R1.3 CC1CNCCO1 PI-34764 [0,1,0,1,0,0|0,0,2]=4 476 B7R1.3 CC1SCCCS1 PI-25717 [0,1,0,1,0,0|0,1,1]=4 477 B7R1.3 CN1CCNCC1 PI-50345 [0,1,0,1,0,0|2,0,0]=4 478 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,1,0,1,0,0|0,0,2]=4 481 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,1,0,1,0,0|1,0,1]=4 482 B7R1.3 NC1CCCCN1 PI-13252 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.3 NC1CCCNC1 PI-13253 [0,1,0,1,0,0|1,0,1]=4 484 B7R1.3 NC1CCOCC1 PI-14135 [0,1,0,1,0,0|0,0,2]=4 485 B7R1.3 NC1CCOCC1 PI-39008 [0,1,0,1,0,0|0,0,2]=4 486 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.3 O1CCCC(C1)O PI-42688 [0,1,0,1,0,0|0,0,2]=4 489 B7R1.3 O=C1CCCCO1 PI-37295 [0,1,0,1,0,0|0,0,0]=2 490 B7R1.3 O=C1CCCNC1 PI-35479 [0,1,0,1,0,0|0,0,0]=2 491 B7R1.3 O=C1CCNCC1 PI-12489 [0,1,0,1,0,0|0,0,0]=2 492 B7R1.3 O=C1CCNCC1 PI-37237 [0,1,0,1,0,0|0,0,0]=2 493 B7R1.3 O=C1CCOCC1 PI-13776 [0,1,0,1,0,0|0,0,0]=2 494 B7R1.3 O=C1CCSCC1 PI-40196 [0,1,0,1,0,0|0,0,0]=2 495 B7R1.3 O=C1COCCN1 PI-38277 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.3 O=C1COCCO1 PI-44056 [0,1,0,1,0,0|1,0,0]=3 497 B7R1.3 O=C1NCCNC1 PI-31800 [0,1,0,1,0,0|1,0,0]=3 498 B7R1.3 OC1CCNCC1 PI-31377 [0,1,0,1,0,0|0,0,2]=4 499 B7R1.3 OC1CCOCC1 PI-37145 [0,1,0,1,0,0|0,0,2]=4 500 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,1,0,1,0,0|0,0,2]=4 501 B7R1.4 BrC1=C(Br)CCC1 PI-24605 [0,1,0,1,0,0|1,0,1]=4 502 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.4 C1CNC(=O)C1N PI-48181 [0,1,0,1,0,0|1,0,0]=3 505 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.4 C=C1CCOC1=O PI-13231 [0,1,0,1,0,0|0,0,2]=4 509 B7R1.4 CC1=CCOC1=O PI-46986 [0,1,0,1,0,0|0,0,2]=4 510 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|0,0,0]=2 511 B7R1.4 CC1C(CCO1)S PI-14229 [0,1,0,1,0,0|0,0,2]=4 512 B7R1.4 NC1CONC1=O PI-38463 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|0,0,0]=2 514 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|1,0,0]=3 516 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,1,0,1,0,0|0,0,2]=4 517 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,1,0,1,0,0|0,0,2]=4 518 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,1,0,1,0,0|0,0,2]=4 519 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,1,0,1,0,0|0,0,2]=4 520 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,1,0,1,0,0|0,0,2]=4 521 B7R1.6 NCCC1COC1 PI-36429 [0,1,0,1,0,0|1,0,1]=4 522 B7R1.6 OCCC1COC1 PI-36428 [0,1,0,1,0,0|0,0,2]=4 523 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.25 NCC1(O)CCC1 PI-36089 [0,1,0,1,0,0|1,0,1]=4 525 B7R1.7 C=CCCC1CO1 PI-41845 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.7 C=CCC[C@H]1CO1 PI-48268 [0,1,0,1,0,0|1,0,0]=3 527 B7R1.7 S=C=NCC1CC1 PI-20932 [0,1,0,1,0,0|0,1,1]=4 528 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,1,0,1,0,0|1,0,0]=3 529 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,1,0,1,0,0|1,0,0]=3 530 B7R1.14 C1CCC(C1)(F)F PI-21161 [0,1,0,1,0,0|1,0,1]=4 531 B7R1.14 CC1(O)CCCC1 PI-36469 [0,1,0,1,0,0|0,0,2]=4 532 B7R1.14 C[Si]1(CCCC1)C PI-45650 [0,1,0,1,0,0|1,1,0]=4 533 B7R1.14 O=S1(=O)CCCO1 PI-32116 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.18 C1C(CN1)C(=O)O PI-49248 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,1,0,1,0,0|0,0,0]=2 536 B7R1.18 ClC(=O)C1CCC1 PI-13205 [0,1,0,1,0,0|0,0,0]=2 537 B7R1.18 OC(=O)C1CCN1 PI-25003 [0,1,0,1,0,0|1,0,0]=3 538 B7R1.18 OC(=O)C1CNC1 PI-14151 [0,1,0,1,0,0|1,0,0]=3 539 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,1,0,1,0,0|0,0,0]=2 542 B7R1.24 C1CNCCNC1 PI-37834 [0,1,0,1,0,0|1,0,1]=4 543 B7R1.24 C1CNCCOC1 PI-29260 [0,1,0,1,0,0|0,0,2]=4 544 B7R1.24 C1COCCNN1 PI-42054 [0,1,0,1,0,0|2,0,0]=4 545 B7R2.13 C1CC2C(C1)O2 PI-35919 [0,0,0,2,0,0|0,0,2]=4