0 B5R0.2 BrCCCC=C PI-39146 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 BrCCSCC PI-21417 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C(=O)NNC=O PI-50265 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.2 C(CC#N)CBr PI-41208 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 C(CCBr)CCl PI-15812 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 C(CCBr)CN PI-46910 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 C(CCCl)CO PI-15813 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 C(CCS)CS PI-11005 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.2 C(CNN)C#N PI-50323 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 C=COCCO PI-12735 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.2 CCCSSC PI-48493 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.2 CCNCCN PI-13215 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.2 CCO\C=C\C PI-12734 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.2 CCSCCN PI-22120 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.2 CNCCNC PI-39066 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.2 CNCCSC PI-35879 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.2 COCCC=O PI-45882 [0,0,0,0,0,0|0,1,0]=1 17 B5R0.2 COCCCCl PI-38032 [0,0,0,0,0,0|1,1,1]=3 18 B5R0.2 COCCCO PI-10094 [0,0,0,0,0,0|0,1,2]=3 19 B5R0.2 CSCCC=O PI-45744 [0,0,0,0,0,0|0,0,0]=0 20 B5R0.2 ClCCCC#C PI-20198 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.2 ClCCCC#N PI-38313 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.2 ClCCN=C=O PI-22789 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.2 FCCCCBr PI-14440 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.2 NCCCCO PI-38298 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.2 O=CCCC=O PI-14232 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.2 OCCCC#C PI-13238 [0,0,0,0,0,0|1,0,3]=4 27 B5R0.2 OCCCC=C PI-13243 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.2 OCCCCBr PI-12762 [0,0,0,0,0,0|2,0,2]=4 29 B4R0.2 C#CCCCl PI-38919 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 C#CCCN PI-40906 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.2 C#CCCO PI-16501 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 C(=O)[N-]C=O PI-42986 [1,0,0,0,0,0|1,1,1]=4 33 B4R0.2 C(CF)CF PI-21236 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 C(CF)CI PI-41494 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 C(CN)CN PI-19035 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 C(CN)CN PI-46906 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 C(CN)CS PI-39174 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.2 C(CO)CBr PI-15814 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.2 C(CO)CI PI-50488 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.2 C(CS)CS PI-11004 [1,0,0,0,0,0|0,1,1]=3 41 B4R0.2 C=CCCBr PI-20589 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.2 C=CCON PI-47075 [1,0,0,0,0,0|1,1,1]=4 43 B4R0.2 CC#CCBr PI-20598 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 CC#CCO PI-15652 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 CCCCCl PI-44613 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.2 CCCNC PI-39187 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 CNCC#N PI-14282 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.2 COCCBr PI-21426 [1,0,0,0,0,0|1,1,0]=3 52 B4R0.2 ClCCNC PI-41980 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 NCCC#C PI-36764 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 OCCCS PI-39546 [1,0,0,0,0,0|0,0,2]=3 55 B6R0.1 CC(CC=O)SC PI-48524 [0,1,0,0,0,0|0,0,0]=1 56 B6R0.1 CCCC(=O)SC PI-48512 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 CCCC(C=C)O PI-15324 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.1 CCCC(CC)Cl PI-46859 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CCCC(CO)O PI-13556 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.1 CNCC(CO)O PI-34729 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.4 B(CCCC)(O)O PI-16470 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.4 C#CCCC(=O)O PI-30018 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.4 C(C(=O)O)NC=O PI-33231 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.4 C(CC(=O)O)C#N PI-35487 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.4 CC(NCCS)=O PI-37034 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.4 CC=CCC(=O)O PI-47130 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.4 CC=NNC(=O)N PI-26775 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.4 CCCCC(C)O PI-42555 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.4 CCCNC(=O)N PI-19783 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.4 CCNCC(=O)O PI-43211 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.4 CN(C)CCCCl PI-50389 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.4 CN(C)CCCO PI-31996 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.4 CN(C)CCON PI-47242 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.4 CNCCN(C)C PI-39257 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.4 CSCCC(=O)O PI-31992 [0,1,0,0,0,0|0,0,0]=1 78 B6R0.4 ClCCCC(=O)C PI-39487 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.4 ClCCCN(C)C PI-34098 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.4 NC(=O)NCC#C PI-38748 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.4 NCCCC(=O)O PI-35917 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.4 O=C(O)CCCBr PI-40017 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.4 O=C(O)CCCCl PI-41227 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.4 O=C\C=C/N(C)C PI-12739 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.4 OCCCC(=O)C PI-13555 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.4 [O-]C(=O)CNCO PI-36238 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.6 BrCCCCC#N PI-22651 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.6 BrCCCCC=C PI-39147 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.6 C#CCCCCO PI-40904 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.6 C(CCBr)CCBr PI-44626 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.6 C(CCN)CCN PI-46858 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.6 C(CCO)CCCl PI-44261 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.6 C(CCS)CCS PI-11006 [0,1,0,0,0,0|1,1,1]=4 94 B6R0.6 C=CCNCC=C PI-47080 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.6 CCCCCCN PI-46860 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.6 CCCCCNC PI-21907 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.6 CCCCN=C=S PI-22957 [0,1,0,0,0,0|1,1,1]=4 98 B6R0.6 CCCOCCCl PI-47054 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.6 CCCSCCC PI-48482 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.6 CCC\C=C\C=O PI-40157 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.6 CCNCCC#N PI-19315 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.6 CNCCCNC PI-32197 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.6 COCCCCBr PI-39605 [0,1,0,0,0,0|1,1,1]=4 104 B6R0.6 COCCOCCl PI-12842 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.6 ClCCCCC#C PI-19028 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.6 ClCCCCC=O PI-34745 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.6 ClCCCCCBr PI-10753 [0,1,0,0,0,0|2,0,1]=4 108 B6R1.1 C1CCSCS1 PI-25616 [0,0,0,1,0,0|0,1,1]=3 109 B6R1.1 C1CNCCS1 PI-15689 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.1 C1COCC=C1 PI-40555 [0,0,0,1,0,0|1,1,0]=3 111 B6R1.1 C1COCCN1 PI-42536 [0,0,0,1,0,0|2,1,0]=4 112 B6R1.1 C1CSCCO1 PI-40740 [0,0,0,1,0,0|2,0,0]=3 113 B6R1.1 C1CSCCS1 PI-25617 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.2 C1CNCC1F PI-37496 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.2 C1CNCC1N PI-12334 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.2 C1CNCC1N PI-15467 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.2 C1CNCC1N PI-15468 [0,0,0,1,0,0|2,0,1]=4 118 B6R1.2 C1CNCC1N PI-16581 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 C1CNCC1N PI-16582 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 C1CNCC1O PI-10126 [0,0,0,1,0,0|1,0,2]=4 121 B6R1.2 C1CNCC1O PI-42733 [0,0,0,1,0,0|1,0,2]=4 122 B6R1.2 C1COC(=O)N1 PI-10783 [0,0,0,1,0,0|3,0,0]=4 123 B6R1.2 C1COCC1Cl PI-42699 [0,0,0,1,0,0|1,1,1]=4 124 B6R1.2 C1COCC1N PI-42643 [0,0,0,1,0,0|1,1,1]=4 125 B6R1.2 C1COCC1N PI-44061 [0,0,0,1,0,0|1,1,1]=4 126 B6R1.2 C1COCC1O PI-42698 [0,0,0,1,0,0|0,1,2]=4 127 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,1,0,0|0,0,0]=1 128 B6R1.2 C1CSCC1O PI-48171 [0,0,0,1,0,0|0,0,2]=3 129 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 CC1CCCS1 PI-47093 [0,0,0,1,0,0|1,1,1]=4 133 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,1,0,0|2,0,1]=4 134 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,1,0,0|2,0,1]=4 135 B6R1.2 CN1CCCC1 PI-49852 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 FC1CNCC1 PI-38496 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.2 IC1COCC1 PI-42701 [0,0,0,1,0,0|1,1,1]=4 140 B6R1.2 NC1CCNC1 PI-42734 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 NC1COCC1 PI-42705 [0,0,0,1,0,0|1,1,1]=4 142 B6R1.2 NN1CCCC1 PI-14899 [0,0,0,1,0,0|3,0,0]=4 143 B6R1.2 O=C1CC=CC1 PI-38266 [0,0,0,1,0,0|1,0,1]=3 144 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,1,0,0|0,1,0]=2 145 B6R1.2 O=C1NCNC1 PI-35001 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.2 OC1COCC1 PI-20870 [0,0,0,1,0,0|0,1,2]=4 147 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,0,0,1,0,0|0,1,2]=4 148 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,0,0,1,0,0|1,0,2]=4 149 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,0,0,1,0,0|1,0,2]=4 150 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,0,0,1,0,0|0,1,2]=4 151 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,0,0,1,0,0|1,0,2]=4 152 B6R1.3 C1CC1CCI PI-48331 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.3 COCC1CO1 PI-24540 [0,0,0,1,0,0|0,1,2]=4 154 B6R1.3 COCC1CO1 PI-24541 [0,0,0,1,0,0|0,1,2]=4 155 B6R1.3 N#CCC1CC1 PI-13560 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.3 OCCC1CC1 PI-17339 [0,0,0,1,0,0|1,0,2]=4 157 B6R1.6 BrCC1CCC1 PI-28204 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.6 C1C(CO1)C=O PI-48343 [0,0,0,1,0,0|0,1,0]=2 159 B6R1.6 C1C(CO1)CO PI-48337 [0,0,0,1,0,0|0,1,2]=4 160 B6R1.6 C1CC(C1)CO PI-28530 [0,0,0,1,0,0|1,0,2]=4 161 B6R1.6 COC1CNC1 PI-36805 [0,0,0,1,0,0|2,1,0]=4 162 B6R1.6 COC1CNC1 PI-48292 [0,0,0,1,0,0|2,1,0]=4 163 B6R1.6 N#CC1CNC1 PI-36275 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.6 NCC1CCC1 PI-42247 [0,0,0,1,0,0|2,0,1]=4 165 B6R1.6 O=CC1CCC1 PI-36863 [0,0,0,1,0,0|1,0,0]=2 166 B6R1.6 OCC1COC1 PI-38455 [0,0,0,1,0,0|0,1,2]=4 167 B3R0.1 C(CBr)Cl PI-44621 [2,0,0,0,0,0|2,0,0]=4 168 B3R0.1 C(CF)F PI-21164 [2,0,0,0,0,0|2,0,0]=4 169 B3R0.1 C(CS)N PI-39848 [2,0,0,0,0,0|1,0,0]=3 170 B3R0.1 C(F)CN PI-41615 [2,0,0,0,0,0|2,0,0]=4 171 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,0]=2 172 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,0]=3 173 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,0]=3 174 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,0]=3 175 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|1,1,0]=4 176 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|1,1,0]=4 177 B3R0.1 NCCN PI-38127 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.1 NCCN PI-38389 [2,0,0,0,0,0|2,0,0]=4 179 B3R0.1 NNC=O PI-38803 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.1 OCCBr PI-37291 [2,0,0,0,0,0|1,0,1]=4 181 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|0,0,1]=3 182 B5R0.1 B(CCC)(O)O PI-35885 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.1 BrCCN(C)C PI-41040 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,1,0,0,0,0|1,0,0]=3 187 B5R0.1 CC#CC(=O)O PI-12861 [1,1,0,0,0,0|0,0,2]=4 188 B5R0.1 CC(=C)CCBr PI-40493 [1,1,0,0,0,0|2,0,0]=4 189 B5R0.1 CC(=O)NCO PI-29791 [1,1,0,0,0,0|1,1,0]=4 190 B5R0.1 CC(CCO)N PI-34839 [1,1,0,0,0,0|0,0,2]=4 191 B5R0.1 CC(CCO)N PI-35494 [1,1,0,0,0,0|0,0,2]=4 192 B5R0.1 CC(CCO)O PI-15618 [1,1,0,0,0,0|0,0,2]=4 193 B5R0.1 CC=CC(=O)C PI-45740 [1,1,0,0,0,0|0,0,2]=4 194 B5R0.1 CCCC(=O)N PI-32787 [1,1,0,0,0,0|0,0,0]=2 195 B5R0.1 CCCC(C)N PI-36925 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.1 CCCC(C)O PI-42533 [1,1,0,0,0,0|0,0,2]=4 197 B5R0.1 CCC[C@@H](O)C PI-42532 [1,1,0,0,0,0|0,0,2]=4 198 B5R0.1 CCOC(=O)C PI-13192 [1,1,0,0,0,0|1,0,0]=3 199 B5R0.1 CCOC(=S)[S-] PI-47063 [1,1,0,0,0,0|1,1,0]=4 200 B5R0.1 CCSC(=O)C PI-48509 [1,1,0,0,0,0|1,0,0]=3 201 B5R0.1 CCSC(=O)Cl PI-38596 [1,1,0,0,0,0|1,0,0]=3 202 B5R0.1 CNCC(=O)O PI-45053 [1,1,0,0,0,0|1,0,0]=3 203 B5R0.1 COCC(O)C PI-12912 [1,1,0,0,0,0|0,1,1]=4 204 B5R0.1 CSCC(=O)N PI-36555 [1,1,0,0,0,0|0,0,0]=2 205 B5R0.1 C[C@@H](CC#N)N PI-48104 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.1 C[C@H](CCO)N PI-35493 [1,1,0,0,0,0|0,0,2]=4 207 B5R0.1 C\C=C\C(=O)N PI-50568 [1,1,0,0,0,0|0,0,2]=4 208 B5R0.1 C\C=C\C(=O)O PI-48966 [1,1,0,0,0,0|0,0,2]=4 209 B5R0.1 NC(CCC)=N PI-37197 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.1 NCCC(=O)O PI-14317 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.1 O=C(O)CCS PI-40342 [1,1,0,0,0,0|0,0,0]=2 212 B5R0.1 O=C=NC(C)C PI-11403 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.1 O=S(CSC)C PI-39632 [1,1,0,0,0,0|1,0,0]=3 214 B5R0.1 OC(CON)=O PI-37190 [1,1,0,0,0,0|1,1,0]=4 215 B5R0.1 OCCC(=C)Br PI-34814 [1,1,0,0,0,0|1,1,0]=4 216 B5R0.1 OCCC(=O)O PI-20855 [1,1,0,0,0,0|0,1,0]=3 217 B5R0.1 OCC[C@H](O)C PI-15617 [1,1,0,0,0,0|0,0,2]=4 218 B5R0.3 C(=O)C(C=O)Br PI-39607 [1,1,0,0,0,0|0,1,1]=4 219 B5R0.3 C(=O)C(C=O)Cl PI-39590 [1,1,0,0,0,0|0,1,1]=4 220 B5R0.3 C(C(C=O)O)O PI-14881 [1,1,0,0,0,0|0,1,0]=3 221 B5R0.3 C=C[C@H](CO)N PI-48191 [1,1,0,0,0,0|1,1,0]=4 222 B5R0.3 CCC(=C)C=O PI-44654 [1,1,0,0,0,0|0,0,1]=3 223 B5R0.3 CCC(CO)N PI-45910 [1,1,0,0,0,0|0,0,2]=4 224 B5R0.3 N[C@H](CO)C=C PI-36414 [1,1,0,0,0,0|1,1,0]=4 225 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,1,0,0,0,0|0,1,0]=3 226 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,2,0,0,0,0|0,1,1]=4 231 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.3 CCCCC(=O)NN PI-50263 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.3 COC(=O)CCC#C PI-39349 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.3 COC(=O)CCC=O PI-48276 [0,2,0,0,0,0|0,1,0]=3 235 B7R0.3 COC(=O)CCCBr PI-44980 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.3 COC(=O)CCCN PI-42165 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.3 COC(=O)CCSC PI-45979 [0,2,0,0,0,0|0,0,0]=2 238 B7R0.3 COC(=O)CNC=O PI-33232 [0,2,0,0,0,0|0,1,1]=4 239 B7R0.3 COCCC(=O)NN PI-50294 [0,2,0,0,0,0|0,1,0]=3 240 B7R0.3 CSCCC(C#N)O PI-49851 [0,2,0,0,0,0|0,0,2]=4 241 B7R0.3 O=C(OC)CCNC PI-40057 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.5 C#CCC(C(=O)O)N PI-43612 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.5 C#CCC(C(=O)O)N PI-43896 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.5 C=CCC(C(=O)O)N PI-43236 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.5 C=CCC(C(=O)O)N PI-43396 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.5 CCCC(C(=O)O)Br PI-44608 [0,2,0,0,0,0|1,0,0]=3 252 B7R0.5 CCCC(C(=O)O)N PI-13494 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.5 COCC(C(=O)O)N PI-14934 [0,2,0,0,0,0|0,1,0]=3 255 B7R0.5 COCC(C(=O)O)N PI-14935 [0,2,0,0,0,0|0,1,0]=3 256 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [0,2,0,0,0,0|0,0,0]=2 257 B7R0.5 NC(CC=C)C(O)=O PI-29913 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.5 NC(CCBr)C(=O)O PI-36244 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.5 NC(CCO)C(O)=O PI-41434 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.5 NC(CCS)C(=O)O PI-27603 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.5 NCCC(C(=O)O)N PI-27828 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [0,2,0,0,0,0|0,0,0]=2 265 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.7 CSCC(CNN)O PI-45806 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.11 CC(C)(CC=C)C=O PI-34825 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.4 BrCCCCC(=O)Cl PI-15616 [0,2,0,0,0,0|1,0,0]=3 271 B7R0.4 BrCCCCC(=O)O PI-11341 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.4 C#CCCCC(O)=O PI-37286 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.4 CC(=O)CCCCCl PI-28023 [0,2,0,0,0,0|1,0,0]=3 277 B7R0.4 CCCCNC(=S)N PI-23056 [0,2,0,0,0,0|1,1,0]=4 278 B7R0.4 CCCCOC(=S)[S-] PI-47064 [0,2,0,0,0,0|1,1,0]=4 279 B7R0.4 CCCOCC(=O)O PI-32592 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.4 COCCOC(=O)C PI-12910 [0,2,0,0,0,0|0,1,0]=3 281 B7R0.4 NCCCCC(=O)O PI-30804 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.4 O=C(O)CNCC=C PI-37297 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.4 OC(=O)CCCCN PI-40783 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.6 C(CC(=O)[O-])C(=O)[O-] PI-13200 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.6 C(C[N+](=O)[O-])C(=O)O PI-41737 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,2,0,0,0,0|0,0,1]=3 294 B7R0.6 O=C([O-])CCC([O-])=O PI-13219 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.1 CCCCCN=C=O PI-11407 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.1 OCCCCOC=C PI-12738 [0,2,0,0,0,0|2,0,0]=4 297 B5R1.1 C1C=CCN1 PI-36315 [1,0,0,1,0,0|1,0,1]=4 298 B5R1.1 C1C=CCN1 PI-40188 [1,0,0,1,0,0|1,0,1]=4 299 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|0,0,2]=4 300 B5R1.2 BrC1CCC1 PI-37245 [1,0,0,1,0,0|1,0,1]=4 301 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,1,0,0|1,0,0]=3 302 B5R1.2 FC1CNC1 PI-36097 [1,0,0,1,0,0|2,0,0]=4 303 B5R1.2 NC1CCC1 PI-15786 [1,0,0,1,0,0|1,0,1]=4 304 B5R1.2 NC1COC1 PI-41949 [1,0,0,1,0,0|1,1,0]=4 305 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|0,0,0]=2 306 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|0,1,0]=3 307 B5R1.2 OC1CNC1 PI-20728 [1,0,0,1,0,0|1,0,1]=4 308 B5R1.2 OC1COC1 PI-38454 [1,0,0,1,0,0|0,1,1]=4 309 B5R1.3 BrCC1CC1 PI-12057 [1,0,0,1,0,0|1,0,1]=4 310 B5R1.3 C#CC1CC1 PI-12107 [1,0,0,1,0,0|1,0,1]=4 311 B5R1.3 C1C(O1)CO PI-10360 [1,0,0,1,0,0|0,1,1]=4 312 B5R1.3 C1CC1CN PI-17835 [1,0,0,1,0,0|1,0,1]=4 313 B5R1.3 C1CC1NN PI-45737 [1,0,0,1,0,0|2,0,0]=4 314 B5R1.3 ClCC1OC1 PI-37744 [1,0,0,1,0,0|1,1,0]=4 315 B5R1.3 ClC[C@@H]1CO1 PI-16630 [1,0,0,1,0,0|1,1,0]=4 316 B5R1.3 ClC[C@H]1CO1 PI-16629 [1,0,0,1,0,0|1,1,0]=4 317 B5R1.3 FCC1CO1 PI-22023 [1,0,0,1,0,0|1,1,0]=4 318 B5R1.3 N#CC1CC1 PI-31230 [1,0,0,1,0,0|1,0,1]=4 319 B5R1.3 NCC1CC1 PI-12825 [1,0,0,1,0,0|1,0,1]=4 320 B5R1.3 NNC1CC1 PI-38386 [1,0,0,1,0,0|2,0,0]=4 321 B5R1.3 O=CC1CC1 PI-39221 [1,0,0,1,0,0|0,0,0]=2 322 B5R1.3 OC[C@H]1CO1 PI-10359 [1,0,0,1,0,0|0,1,1]=4 323 B7R1.1 C1CCN(C1)N=O PI-47048 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.1 O=CC1=CCCC1 PI-39104 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.2 C1C(=O)COC1=O PI-17979 [0,1,0,1,0,0|0,1,1]=4 326 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.2 C1C(=O)NC(=S)S1 PI-10884 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.2 C1C(CNC1=O)N PI-35851 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.2 CC1COC(=O)N1 PI-35869 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|1,0,0]=3 333 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.2 O=C1CSC(=N1)N PI-25673 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.3 C1CC(=O)COC1 PI-39263 [0,1,0,1,0,0|0,1,0]=3 343 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,1,0,1,0,0|1,0,0]=3 345 B7R1.3 C1CNCCC1=O PI-43209 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.3 C1COCCC1=O PI-47224 [0,1,0,1,0,0|0,1,0]=3 348 B7R1.3 C=C1CCNCC1 PI-41106 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.3 C=C1CCOCC1 PI-42723 [0,1,0,1,0,0|1,1,0]=4 350 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,1,0,0|1,1,0]=4 352 B7R1.3 CC1SCCCS1 PI-25717 [0,1,0,1,0,0|0,1,1]=4 353 B7R1.3 O=C1CCCCO1 PI-37295 [0,1,0,1,0,0|1,0,0]=3 354 B7R1.3 O=C1CCCNC1 PI-35479 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.3 O=C1CCNCC1 PI-12489 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.3 O=C1CCNCC1 PI-37237 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.3 O=C1CCOCC1 PI-13776 [0,1,0,1,0,0|0,1,0]=3 358 B7R1.3 O=C1CCSCC1 PI-40196 [0,1,0,1,0,0|0,0,0]=2 359 B7R1.3 O=C1COCCN1 PI-38277 [0,1,0,1,0,0|0,1,0]=3 360 B7R1.3 O=C1COCCO1 PI-44056 [0,1,0,1,0,0|0,1,0]=3 361 B7R1.3 O=C1NCCNC1 PI-31800 [0,1,0,1,0,0|1,0,0]=3 362 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,1,0,1,0,0|1,1,0]=4 364 B7R1.4 C1CNC(=O)C1N PI-48181 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.4 C=C1CCOC1=O PI-13231 [0,1,0,1,0,0|1,0,1]=4 369 B7R1.4 CC1=CCOC1=O PI-46986 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|0,1,0]=3 371 B7R1.4 Cn1sccc1=O PI-11861 [0,1,0,1,0,0|0,0,2]=4 372 B7R1.4 NC1CONC1=O PI-38463 [0,1,0,1,0,0|1,1,0]=4 373 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|1,0,0]=3 374 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,1,0,1,0,0|0,1,0]=3 377 B7R1.7 C=CCCC1CO1 PI-41845 [0,1,0,1,0,0|1,1,0]=4 378 B7R1.7 C=CCC[C@H]1CO1 PI-48268 [0,1,0,1,0,0|1,1,0]=4 379 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.18 C1C(CN1)C(=O)O PI-49248 [0,1,0,1,0,0|1,0,0]=3 382 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.18 ClC(=O)C1CCC1 PI-13205 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.18 OC(=O)C1CCN1 PI-25003 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.18 OC(=O)C1CNC1 PI-14151 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [0,1,0,1,0,0|2,0,0]=4 388 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,1,0,1,0,0|1,0,0]=3