0 B5R0.3 C#CC(N)CO Z2235790715 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C=CC(N)CO Z2146514374 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 CC(C#N)CO Z406338220 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CC(CN)CN Z951173758 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CC(CN)CO Z406342068 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 CC(CO)CS Z1262475362 [0,0,0,0,0,0|1,1,1]=3 6 B5R0.3 CCC(C)CN Z2350903977 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CCC(C)NC Z594038230 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 CCC(N)C#N Z445129502 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 CCC(N)CN Z1263714131 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 CCC(N)CO Z104474862 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 CCC(O)C#N Z419078094 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 CCC(O)CN Z419084746 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CCC(O)CO Z600450538 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.3 CCN(C)C=O Z1258520870 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 CCN(C)N=O Z1198147516 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.3 CC[C@@H](N)C#N Z1203638467 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.3 CC[C@H](N)CO Z1203162358 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.3 CNC(=O)CO Z431952700 [0,0,0,0,0,0|2,0,2]=4 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|3,0,0]=3 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|3,0,0]=3 25 B5R0.3 N#CC(N)CO Z2301438409 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.3 NC(CO)CO Z1203577940 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.3 NCC(F)CN Z2733320873 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.3 NCC(N)CN Z1203578196 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.3 NCC(O)CF Z2311274712 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.3 O=C(CO)CO Z1255442144 [0,0,0,0,0,0|0,0,4]=4 31 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.3 OCC(O)CO Z104473548 [0,0,0,0,0,0|0,0,2]=2 33 B5R0.3 OCC(O)CS Z1255382958 [0,0,0,0,0,0|0,1,1]=2 34 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 C#CC(C)O Z1251193370 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|0,0,1]=2 50 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.1 CN(C)N=O Z1255485177 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|0,0,1]=2 58 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|0,0,1]=2 61 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.1 NCC(F)F Z1295543893 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|0,0,1]=2 71 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.1 OCC(F)F Z397587054 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|1,0,1]=3 84 B6R0.1 C#CCC(O)CN Z2491498074 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.1 C=CCC(N)CC Z1981870426 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.1 C=CCC(N)CO Z1815149150 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.1 C=CCC(O)CC Z808662120 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.1 CC(CN)CCO Z1203581915 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 CC(CO)CCN Z5410631465 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.1 CCC(N)COC Z825742260 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 CNC(C)CCO Z1198266877 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.1 CNC(C)COC Z815264298 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.1 CNC[C@H](O)CO Z600533638 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.1 COCC(N)C#N Z1601562385 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.1 COCC(N)CN Z1203580237 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.1 CSC(C)CCO Z1262258908 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.1 CSCC(C)CO Z1270310211 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.1 CSCC(O)CO Z1126770422 [0,1,0,0,0,0|0,1,1]=3 106 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 CC(C)C(O)C#N Z802900598 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 CC(C)C(O)CN Z1255523288 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 CC(C)N(C)C=O Z1258520821 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.3 CC(N)C(C)CO Z1203581847 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 CC(O)C(N)CN Z1250080890 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|2,0,0]=3 119 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.3 CCC(O)C(C)C Z445987082 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,0,0,0,0|2,0,0]=3 125 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.3 COC(C)C(=O)C Z447898138 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.3 CSC(C)C(C)O Z1273036711 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,0,0,0,0|1,1,0]=3 137 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,0,0,0,0|1,1,0]=3 142 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,0,0,0,0|1,0,2]=4 144 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.8 C=CC(C)(N)CC Z3042074270 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.8 CC(C)(CN)CO Z3247605488 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.8 CC(N)(C#N)CO Z2082998957 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.8 CCC(C)(C)CO Z995039230 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.8 CCC(C)(N)CO Z734150850 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.8 CCC(C)(O)CC Z449374480 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.8 CCC(C)(O)CN Z419085064 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.8 CNC(C)(C)CO Z425727892 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.8 COC(C)(C)CO Z1255430497 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.9 CCC(C#N)OC Z851010100 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.9 CCC(CN)OC Z2168541798 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.9 CCC(CO)CO Z1198261463 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.9 CCC(CO)OC Z1255373272 [0,1,0,0,0,0|1,0,1]=3 158 B6R0.9 CNC(CO)CO Z1939437574 [0,1,0,0,0,0|2,0,0]=3 159 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,1,0,0|3,0,0]=4 160 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.2 OC1=NOC=C1 Z1255501207 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|1,0,1]=3 165 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,1,0,0|1,1,1]=4 166 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.6 O=CC1CCC1 Z1079442452 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.7 CC1(CC1)C=O Z1263714317 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.7 CC1(CO1)CCl Z1201618277 [0,0,0,1,0,0|2,0,1]=4 171 B6R1.7 CCC1(CO1)C Z1020679924 [0,0,0,1,0,0|2,0,1]=4 172 B6R1.7 NC1(CC1)CO Z1741975623 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.8 C=C1CC1CN Z3454021936 [0,0,0,1,0,0|3,0,0]=4 174 B6R1.8 CC1CC1C=O Z1079442440 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|2,0,1]=4 176 B6R1.8 CC1OC1CCl Z1205657581 [0,0,0,1,0,0|2,0,1]=4 177 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,0,0,1,0,0|2,0,0]=3 178 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.8 O=CC1CC1Cl Z1262480603 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [0,0,0,1,0,0|2,0,0]=3 181 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|0,0,1]=3 182 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 186 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 187 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|0,1,0]=3 188 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,1]=4 189 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|0,0,1]=3 190 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|0,1,1]=4 191 B5R0.1 C#CCC(=O)O Z295890060 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.1 C#CCC(C)O Z969111576 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.1 C=CCC(C)N Z1269638561 [1,1,0,0,0,0|2,0,0]=4 194 B5R0.1 CC(=O)CCO Z906206900 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.1 CC(C)NC=O Z1201617634 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.1 CC(N)CCO Z385458430 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.1 CC(O)CC#N Z847151284 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|0,0,1]=3 201 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.1 COCC(=O)N Z33546778 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|0,0,1]=3 206 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|0,0,1]=3 207 B5R0.1 COC[C@@H](C)N Z1270482298 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.1 COC[C@H](C)N Z1270502316 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.1 CSCC(C)O Z732208306 [1,1,0,0,0,0|0,1,1]=4 210 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.1 N#CCC(=O)O Z104476112 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.1 NC(=O)CCO Z431951940 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.1 NCCC(=O)O Z57127544 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|0,0,1]=3 216 B5R0.1 O=C(O)CCCl Z203045320 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.1 O=C(O)CCS Z104474322 [1,1,0,0,0,0|0,1,1]=4 218 B5R0.1 O=C(O)CNO Z1205493750 [1,1,0,0,0,0|0,0,1]=3 219 B5R0.4 C#CC(C)(C)O Z1245735173 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.4 C=CC(C)(C)N Z2940715337 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.4 CC(C)(C)CO Z397587176 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.4 CC(C)(O)C#N Z104473082 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.4 CC(C)(O)CO Z600454414 [1,1,0,0,0,0|0,0,1]=3 224 B5R0.4 CCC(C)(C)O Z104473496 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.4 OCC(Br)(Br)Br Z1269188950 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|0,0,2]=4 227 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|1,0,0]=3 231 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|1,0,0]=3 238 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|0,0,0]=2 239 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|0,0,1]=3 240 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|0,1,0]=3 241 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,1,0,0,0,0|0,0,2]=4 246 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.2 C=CCCC#N Z1219746591 [1,1,0,0,0,0|2,0,0]=4 250 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|2,0,0]=4 251 B5R0.2 C=CCNCC Z2044769224 [1,1,0,0,0,0|2,0,0]=4 252 B5R0.2 CC#CCCO Z1033337288 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.2 CCNCCO Z1258992395 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.2 CNCCOC Z1259162131 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.2 COCCC#N Z277467992 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|0,0,2]=4 260 B5R0.2 COCCOC Z104473014 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.2 N#CCCCO Z385458622 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.2 OC/C=C/CO Z237581088 [1,1,0,0,0,0|0,0,2]=4 263 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,2,0,0,0,0|0,0,2]=4 268 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|1,0,0]=3 270 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|1,0,0]=3 271 B7R0.3 C/C=C/CC(N)CO Z1718361642 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.3 CCOCC(O)CN Z271097110 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.3 CCOCC(O)CO Z1178483452 [0,2,0,0,0,0|0,0,2]=4 274 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|1,0,0]=3 289 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,2,0,0,0,0|1,1,0]=4 291 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,2,0,0,0,0|1,1,0]=4 292 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.7 CCCC(O)CCO Z1198158209 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.7 CNCC(O)COC Z406679976 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.7 COCC(O)CCN Z1182310348 [0,2,0,0,0,0|1,0,1]=4 302 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.10 COC(=O)C(N)CS Z56917374 [0,2,0,0,0,0|1,1,0]=4 311 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,2,0,0,0,0|1,1,0]=4 313 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [0,2,0,0,0,0|0,0,2]=4 315 B7R0.11 C=CCC(C)(C)CO Z1255384026 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,2,0,0,0,0|0,0,2]=4 317 B7R0.11 COCC(C)(O)CN Z992449016 [0,2,0,0,0,0|1,0,1]=4 318 B7R0.12 CCCC(CO)OC Z2050356185 [0,2,0,0,0,0|1,0,1]=4 319 B7R0.12 COCC(C#N)OC Z1416162543 [0,2,0,0,0,0|1,0,1]=4 320 B7R0.12 COCC(CN)OC Z1820007612 [0,2,0,0,0,0|1,0,1]=4 321 B7R0.12 O=CNC(CO)CO Z1259117052 [0,2,0,0,0,0|0,0,0]=2 322 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,2,0,0,0,0|1,0,1]=4 323 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,2,0,0,0,0|1,0,0]=3 324 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,2,0,0,0,0|2,0,0]=4 326 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,2,0,0,0,0|1,0,0]=3 329 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,2,0,0,0,0|2,0,0]=4 330 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,2,0,0,0,0|1,0,0]=3 331 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,2,0,0,0,0|0,0,0]=2 332 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,2,0,0,0,0|0,0,2]=4 333 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,2,0,0,0,0|1,0,0]=3 339 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,2,0,0,0,0|2,0,0]=4 343 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,2,0,0,0,0|1,0,0]=3 344 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,2,0,0,0,0|1,1,0]=4 347 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,2,0,0,0,0|1,0,0]=3 350 B7R0.15 COC(CO)C(C)C Z1898597061 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.15 COC(OC)C(=O)N Z56754520 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.15 COC(OC)C(C)O Z1167044501 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,2,0,0,0,0|2,0,0]=4 354 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,2,0,0,0,0|1,0,1]=4 355 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,2,0,0,0,0|2,0,0]=4 356 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,2,0,0,0,0|2,0,0]=4 359 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,2,0,0,0,0|1,1,0]=4 361 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,2,0,0,0,0|1,0,0]=3 366 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [0,2,0,0,0,0|0,0,2]=4 367 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,2,0,0,0,0|1,0,0]=3 368 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,2,0,0,0,0|1,0,0]=3 369 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,2,0,0,0,0|1,0,0]=3 370 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,2,0,0,0,0|0,0,1]=3 371 B7R0.18 C#CC(N)(CO)CO Z4890240833 [0,2,0,0,0,0|1,0,1]=4 372 B7R0.18 CC(CO)(CO)CO Z299622542 [0,2,0,0,0,0|0,0,2]=4 373 B7R0.18 NC(CO)(CO)CO Z104509094 [0,2,0,0,0,0|0,0,2]=4 374 B7R0.18 NCC(N)(CO)CO Z4628649688 [0,2,0,0,0,0|1,0,1]=4 375 B7R0.18 NCC(O)(CO)CO Z3268384933 [0,2,0,0,0,0|0,0,2]=4 376 B5R1.2 NC1COC1 Z317054188 [1,0,0,1,0,0|1,0,1]=4 377 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|1,0,1]=4 378 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,1,0,0|1,0,1]=4 379 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|0,0,1]=3 380 B5R1.3 ClCC1CO1 Z104473190 [1,0,0,1,0,0|1,0,1]=4 381 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|1,0,1]=4 382 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|0,0,1]=3 383 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|0,0,1]=3 384 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|0,0,1]=3 385 B7R1.1 NCC1COCO1 Z2298138033 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.1 O=CC1CC=CC1 Z1504676872 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.1 O=CC1CCCC1 Z875036058 [0,1,0,1,0,0|2,0,0]=4 388 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.1 O=CC1CCSC1 Z1201681645 [0,1,0,1,0,0|1,1,0]=4 390 B7R1.1 OCC1=CC=CO1 Z104472794 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.1 OCC1=COC=C1 Z397587426 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.1 OCC1=NOC=C1 Z875021162 [0,1,0,1,0,0|1,0,1]=4 393 B7R1.1 OCC1CC=CC1 Z1201622687 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,1,0,0|1,0,1]=4 395 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,1,0,1,0,0|0,0,2]=4 403 B7R1.3 OC1CCOCC1 Z1359429523 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.3 OC1CCONC1 Z3325124334 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.3 OC1COCOC1 Z431564488 [0,1,0,1,0,0|0,0,2]=4 406 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|1,1,0]=4 413 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|1,0,0]=3 414 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|1,1,0]=4 416 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|1,1,0]=4 418 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,1,0,0|2,0,0]=4 421 B7R1.4 OC1CCCC1O Z600452564 [0,1,0,1,0,0|1,0,1]=4 422 B7R1.4 OC1CNCC1O Z1147229592 [0,1,0,1,0,0|1,0,1]=4 423 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.6 O=CCC1CCC1 Z1198184444 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.6 O=CCC1COC1 Z1511884358 [0,1,0,1,0,0|1,0,0]=3 427 B7R1.9 CCC1CC1C=O Z1513989944 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.9 N#CC1CC1C=O Z1511894712 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.10 C=C1CC(C1)C=O Z1486007751 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.11 CC1C(C1C=O)Cl Z1262487267 [0,1,0,1,0,0|2,0,0]=4 432 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.25 CC1(CCC1)C=O Z1198728427 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.25 CC1(COC1)C=O Z1198234536 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.25 CC1(CSC1)C=O Z2732442937 [0,1,0,1,0,0|1,1,0]=4 438 B7R1.25 OCC1(CCC1)O Z1537124745 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,1,0,1,0,0|1,1,0]=4 452 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,1,0,1,0,0|1,0,0]=3 455 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,1,0,1,0,0|2,0,0]=4 458 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.23 CC1(CC1C=O)Br Z1513978436 [0,1,0,1,0,0|2,0,0]=4 461 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,1,0,1,0,0|1,0,0]=3 464 B7R1.23 CC1(OC1CO)C Z1486035926 [0,1,0,1,0,0|1,0,1]=4 465 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,1,0,1,0,0|1,0,1]=4 466 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,1,0,1,0,0|1,0,1]=4 467 B7R1.23 O=CC1CC1(Cl)Cl Z1511747117 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.14 CC1(CNOC1)O Z3035808330 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.29 CCC1(CC1)C=O Z1511776317 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.29 COC1(CC1)C=O Z1511825466 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.29 CSC1(CC1)C=O Z1511753214 [0,1,0,1,0,0|1,1,0]=4 472 B7R1.29 N#CC1(CC1)C=O Z1767997246 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.29 O=CC1(CC1)CF Z1198729057 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.29 OCC1(CC1)CO Z1255465434 [0,1,0,1,0,0|1,0,1]=4 475 B7R2.13 C1=CC2OC2C1 Z1238546190 [0,0,0,2,0,0|2,0,0]=4