0 B5R0.3 C#CC(N)CO Z2235790715 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C(CC)CN Z2238934536 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=CC(N)CO Z2146514374 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 CC(C#N)CO Z406338220 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CC(CN)CN Z951173758 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CC(CN)CO Z406342068 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 CC(CO)CS Z1262475362 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CCC(=O)CC Z104476878 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CCC(=O)CN Z1203579016 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 CCC(C)CN Z2350903977 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 CCC(C)NC Z594038230 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.3 CCC(N)C#N Z445129502 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 CCC(N)CN Z1263714131 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 CCC(N)CO Z104474862 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 CCC(O)C#N Z419078094 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 CCC(O)CN Z419084746 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.3 CCC(O)CO Z600450538 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.3 CC[C@@H](N)C#N Z1203638467 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.3 CC[C@H](N)CO Z1203162358 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 CNC(C)CN Z941154208 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.3 COC(C)CN Z1795817756 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.3 COC(C)CO Z1198150719 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.3 CSC(C)CN Z844632970 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.3 CSC(C)CO Z1273053291 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.3 N#CC(N)CO Z2301438409 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 NC(CO)CO Z1203577940 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.3 NCC(=O)CN Z1198147360 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.3 NCC(F)CN Z2733320873 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.3 NCC(N)CN Z1203578196 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.3 NCC(O)CF Z2311274712 [0,0,0,0,0,0|1,1,0]=2 31 B5R0.3 O=C(CO)CO Z1255442144 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.3 OCC(O)CO Z104473548 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.3 OCC(O)CS Z1255382958 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 C#CC(C)O Z1251193370 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|1,1,0]=3 41 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 NCC(F)F Z1295543893 [1,0,0,0,0,0|2,1,0]=4 56 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|1,1,1]=4 57 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 OCC(F)F Z397587054 [1,0,0,0,0,0|2,1,0]=4 59 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.1 C#CCC(N)CC Z969111798 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.1 C#CCC(O)CN Z2491498074 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.1 C=CCC(N)CC Z1981870426 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.1 C=CCC(N)CO Z1815149150 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.1 C=CCC(O)CC Z808662120 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.1 CC(CN)CCO Z1203581915 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.1 CC(CO)CCN Z5410631465 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.1 CCC(C)CNC Z1266854907 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.1 CCC(N)COC Z825742260 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.1 CCCC(N)CC Z1642389626 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.1 CCCC(N)CN Z425861040 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.1 CCNC(C)CC Z2509351098 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.1 CCOC(C)CN Z844631802 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.1 CNC[C@H](O)CO Z600533638 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.1 COCC(N)CN Z1203580237 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.1 CSCC(C)CN Z732208434 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.1 CSCC(C)CO Z1270310211 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.1 CSCC(O)CO Z1126770422 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.3 CC(C)C(C)CN Z415654990 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.3 CC(C)C(N)CN Z1266933925 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.3 CC(C)C(O)C#N Z802900598 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 CC(C)C(O)CN Z1255523288 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.3 CC(CN)C(F)F Z3243520505 [0,1,0,0,0,0|2,1,0]=4 101 B6R0.3 CC(N)C(C)CO Z1203581847 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.3 CC(O)C(N)CN Z1250080890 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.3 CCC(C)C(C)N Z335455612 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.3 CCC(N)C(C)C Z823287438 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 CCC(O)C(C)C Z445987082 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.8 CC(C)(CN)CO Z3247605488 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.8 CCC(C)(C)CO Z995039230 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.8 CCC(C)(N)CC Z1267881628 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.8 CCC(C)(N)CN Z425861002 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.8 CCC(C)(N)CO Z734150850 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.8 CCC(C)(O)CC Z449374480 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.8 CCC(C)(O)CN Z419085064 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.9 C#CC(CC)CN Z5851994475 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.9 CCC(C#N)OC Z851010100 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.9 CCC(CC)NC Z1262254286 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.9 CCC(CN)OC Z2168541798 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.9 CCC(CO)CO Z1198261463 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.9 CCC(CO)OC Z1255373272 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.9 CNC(CO)CO Z1939437574 [0,1,0,0,0,0|3,0,0]=4 125 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,1,0,0|3,0,0]=4 126 B6R1.2 CC1CNNC1 Z4953319766 [0,0,0,1,0,0|3,0,0]=4 127 B6R1.2 FC1CCNC1 Z1139751347 [0,0,0,1,0,0|3,0,0]=4 128 B6R1.2 NC1CC=CC1 Z1416200863 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|3,0,0]=4 130 B6R1.2 NC1CCSC1 Z1267885911 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.4 CC1CCC1N Z2082999653 [0,0,0,1,0,0|3,0,0]=4 137 B6R1.6 CCC1CNC1 Z1203733931 [0,0,0,1,0,0|3,0,0]=4 138 B6R1.6 NCC1CCC1 Z381061564 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.6 NCC1CNC1 Z1198274908 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.7 CC1(CC1)CN Z1335657802 [0,0,0,1,0,0|3,0,0]=4 141 B6R1.7 CC1(CO1)CCl Z1201618277 [0,0,0,1,0,0|2,1,0]=4 142 B6R1.7 CCC1(CC1)N Z2234631229 [0,0,0,1,0,0|3,0,0]=4 143 B6R1.7 CCC1(CO1)C Z1020679924 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.7 NC1(CC1)CO Z1741975623 [0,0,0,1,0,0|3,0,0]=4 145 B6R1.8 CC1CC1CN Z415636622 [0,0,0,1,0,0|3,0,0]=4 146 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.8 CC1OC1CCl Z1205657581 [0,0,0,1,0,0|1,1,0]=3 148 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [0,0,0,1,0,0|2,1,0]=4 149 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [0,0,0,1,0,0|3,0,0]=4 150 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [0,0,0,1,0,0|3,0,0]=4 151 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|1,0,1]=4 152 B3R0.1 I/C=C/I Z2417817184 [2,0,0,0,0,0|0,0,2]=4 153 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|1,1,0]=4 154 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 155 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 156 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 157 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,0]=3 158 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,1]=4 159 B5R0.1 C#CCC(C)N Z3490223481 [1,1,0,0,0,0|2,0,0]=4 160 B5R0.1 C#CCC(C)O Z969111576 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.1 C=CCC(C)N Z1269638561 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.1 CC(C)CC#N Z104473272 [1,1,0,0,0,0|2,0,0]=4 163 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|2,0,0]=4 164 B5R0.1 CC(N)CC#N Z1267773800 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.1 CC(N)CCO Z385458430 [1,1,0,0,0,0|2,0,0]=4 166 B5R0.1 CC(O)CC#N Z847151284 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.1 CCCC(C)N Z2417819590 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.1 CNCC(C)C Z951367674 [1,1,0,0,0,0|2,0,0]=4 171 B5R0.1 CNCC(C)N Z1413780485 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|1,0,0]=3 174 B5R0.1 COC[C@@H](C)N Z1270482298 [1,1,0,0,0,0|2,0,0]=4 175 B5R0.1 COC[C@H](C)N Z1270502316 [1,1,0,0,0,0|2,0,0]=4 176 B5R0.1 CSCC(C)O Z732208306 [1,1,0,0,0,0|1,0,0]=3 177 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,1,0,0,0,0|2,0,0]=4 178 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|1,0,0]=3 179 B5R0.4 C#CC(C)(C)O Z1245735173 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.4 CC(C)(C)CN Z291234094 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.4 CC(C)(C)CO Z397587176 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.4 CC(C)(N)CN Z1266854946 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.4 CC(C)(O)C#N Z104473082 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.4 CC(C)(O)CO Z600454414 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.4 CC(F)(F)CN Z1201623622 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.4 CCC(C)(C)N Z104480062 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.4 CCC(C)(C)O Z104473496 [1,1,0,0,0,0|1,0,0]=3 188 B5R0.5 CC(N)C(C)N Z2335631664 [1,1,0,0,0,0|2,0,0]=4 189 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.2 C#CCCCN Z1945700461 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|2,0,0]=4 194 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|2,0,0]=4 195 B5R0.2 CCCCCN Z104472246 [1,1,0,0,0,0|2,0,0]=4 196 B5R0.2 CCCNCC Z138446288 [1,1,0,0,0,0|2,0,0]=4 197 B5R0.2 CCNCCF Z1198305484 [1,1,0,0,0,0|1,1,0]=4 198 B5R0.2 CCNCCO Z1258992395 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.2 CCOCCN Z271005962 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.2 CCSCCN Z3061111063 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|2,0,0]=4 203 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.2 N#CCCCN Z1649677743 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.2 N#CCCCO Z385458622 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.2 NCCCCF Z2177031126 [1,1,0,0,0,0|1,1,0]=4 207 B5R0.2 NCCCCN Z104472592 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.2 CN(C)CC(O)CN Z270894906 [0,2,0,0,0,0|2,0,0]=4 210 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|2,0,0]=4 212 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.3 CCC(O)CCCN Z1259162031 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.3 CCNCC(O)CC Z600449680 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.3 CCOCC(O)CN Z271097110 [0,2,0,0,0,0|2,0,0]=4 216 B7R0.3 CCOCC(O)CO Z1178483452 [0,2,0,0,0,0|2,0,0]=4 217 B7R0.5 C#CCC(O)C(C)C Z969111562 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.5 CC(C)C(O)CC#N Z1255499091 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.5 CC(C)C(O)CCN Z1203588096 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.7 CCCC(O)CCO Z1198158209 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.7 CNCC(O)COC Z406679976 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.7 COCC(O)CCN Z1182310348 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.7 N#CCC(O)CC#N Z1255419656 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.7 NCCC(O)CCN Z4497194547 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.10 CCC(C)C(O)CN Z802901690 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.11 C#CCC(C)(O)CC Z1098923702 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.11 COCC(C)(O)CN Z992449016 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.11 CSCC(C)(O)CN Z1235968368 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.12 CCC(CC)CCO Z1198174469 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.12 CCCC(CO)OC Z2050356185 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.12 COCC(CN)OC Z1820007612 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.13 CC(C)C(C)(O)CN Z419085036 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,2,0,0,0,0|2,0,0]=4 238 B7R0.14 CC(C)(C)C(O)CN Z803056426 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.14 CCC(O)C(F)(F)F Z838950592 [0,2,0,0,0,0|1,1,0]=4 240 B7R0.14 NC[C@H](O)C(F)(F)F Z2235329646 [0,2,0,0,0,0|1,1,0]=4 241 B7R0.15 COC(CN)C(C)C Z2310718859 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.15 COC(CO)C(C)C Z1898597061 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.16 CC(C)C(O)C(C)N Z975823338 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.18 CC(CO)(CO)CO Z299622542 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.18 CCC(C)(CN)CO Z1203583788 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.18 CCC(N)(CC)CO Z734151048 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.18 CCC(O)(CC)CC Z449374516 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.18 CCC(O)(CC)CN Z419084794 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.18 NC(CO)(CO)CO Z104509094 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.18 NCC(N)(CO)CO Z4628649688 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.18 NCC(O)(CO)CO Z3268384933 [0,2,0,0,0,0|2,0,0]=4 254 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,1,0,0|2,0,0]=4 255 B5R1.2 NC1COC1 Z317054188 [1,0,0,1,0,0|2,0,0]=4 256 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,1,0,0|1,0,0]=3 257 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|1,0,0]=3 258 B5R1.3 ClCC1CO1 Z104473190 [1,0,0,1,0,0|0,1,0]=3 259 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|2,0,0]=4 260 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|1,0,0]=3 261 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|1,0,0]=3 262 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|1,0,0]=3 263 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|2,0,0]=4 264 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.1 BrCC1CCCO1 Z90660999 [0,1,0,1,0,0|1,1,0]=4 266 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.1 ClCC1CCCO1 Z56893271 [0,1,0,1,0,0|1,1,0]=4 269 B7R1.1 NCC1COCO1 Z2298138033 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.1 OCC1CC=CC1 Z1201622687 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.1 OCC1CCNC1 Z976722188 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.1 OCC1CCSC1 Z1201679855 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.2 CC1CC(CN1)O Z1201051000 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.3 OC1CCCCC1 Z104473498 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.3 OC1CCCSC1 Z993818972 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.3 OC1CCNCC1 Z56347197 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.3 OC1CCOCC1 Z1359429523 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.3 OC1CCONC1 Z3325124334 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.3 OC1CNCCO1 Z1428160315 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.3 OC1COCOC1 Z431564488 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.4 OC1CCCC1O Z600452564 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.4 OC1CNCC1O Z1147229592 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [0,1,0,1,0,0|1,1,0]=4 294 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [0,1,0,1,0,0|0,2,0]=4 299 B7R1.22 NCC(O)C1CC1 Z802856322 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.25 NCC1(CCC1)O Z419084774 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.25 OCC1(CCC1)O Z1537124745 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,1,0,1,0,0|1,1,0]=4 303 B7R1.23 CC1(OC1CO)C Z1486035926 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.14 CC1(CCNC1)O Z1139194384 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.14 CC1(CCSC1)O Z1359841674 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.14 CC1(CNOC1)O Z3035808330 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.29 CCC1(CO1)CC Z1020679898 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.29 COC1(CC1)CN Z3681227829 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.29 ClCC1(CO1)CCl Z1205657482 [0,1,0,1,0,0|0,2,0]=4 313 B7R1.29 NCC1(CC1)CO Z945434614 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.29 OCC1(CC1)CO Z1255465434 [0,1,0,1,0,0|2,0,0]=4 315 B7R2.13 C1=CC2OC2C1 Z1238546190 [0,0,0,2,0,0|2,0,0]=4 316 B7R2.13 C1CC2OC2C1 Z255149904 [0,0,0,2,0,0|2,0,0]=4