0 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,0,0,0,0,0|3,1,0]=4 1 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.10 CCC(C)C(O)CN Z802901690 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [0,0,0,0,0,0|0,2,0]=2 4 B6R0.1 C#CCC(O)CN Z2491498074 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 C=CCC(O)CC Z808662120 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CC(CN)CCO Z1203581915 [1,0,0,0,0,0|2,1,0]=4 7 B6R0.1 CC(CO)CCN Z5410631465 [1,0,0,0,0,0|2,1,0]=4 8 B6R0.1 CCC(N)CCO Z1258578227 [1,0,0,0,0,0|2,1,0]=4 9 B6R0.1 CCC(O)CCN Z406342052 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CCC(O)CCO Z1198157972 [1,0,0,0,0,0|1,1,0]=3 11 B6R0.1 CCCC(N)CC Z1642389626 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCCC(N)CN Z425861040 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCCC(O)CN Z419084742 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CNC[C@H](O)CO Z600533638 [1,0,0,0,0,0|2,1,0]=4 15 B6R0.1 COCC(O)CN Z271097108 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 CSCC(O)CO Z1126770422 [1,0,0,0,0,0|2,1,0]=4 17 B6R0.1 NCC[C@H](F)CN Z4607150940 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.3 CC(C)C(C)CN Z415654990 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.3 CC(C)C(N)CN Z1266933925 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.3 CC(C)C(O)C#N Z802900598 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.3 CC(C)C(O)CN Z1255523288 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [1,0,0,0,0,0|2,1,0]=4 23 B6R0.3 CC(N)C(C)CO Z1203581847 [1,0,0,0,0,0|2,1,0]=4 24 B6R0.3 CC(O)C(N)CN Z1250080890 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.3 CCC(C)C(C)N Z335455612 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.3 CCC(N)C(C)C Z823287438 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,0,0,0,0|1,1,1]=4 28 B6R0.3 CCC(O)C(C)C Z445987082 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.3 CCC(O)C(C)O Z1251352132 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.3 CSC(C)C(C)O Z1273036711 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.3 NC(CS)C(=O)O Z966690626 [1,0,0,0,0,0|1,1,1]=4 32 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,0,0,0,0,0|1,1,1]=4 33 B8R0.2 CCC(N)C(O)C(C)C Z2301500146 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,0,0,0,0|1,1,1]=4 35 B8R0.20 CCC(C)C(CN)OC Z1270207707 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.20 CCC(C)C(CO)OC Z2234631187 [0,1,0,0,0,0|2,1,0]=4 37 B8R0.20 CCC(CC)C(O)CN Z802901136 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.5 CC1CCCCC1O Z104478402 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.5 CC1CNCCC1O Z1742055068 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.5 CC1COCCC1O Z1255390393 [0,0,0,1,0,0|2,1,0]=4 41 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.5 NC1CCOCC1O Z2688974552 [0,0,0,1,0,0|2,1,0]=4 45 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,0,0,1,0,0|2,1,0]=4 47 B8R1.5 OC1CCCCC1O Z600453486 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.5 OC1CCNCC1F Z1416168950 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.5 O[C@H]1CONC[C@H]1O Z3073361071 [0,0,0,1,0,0|1,1,0]=3 52 B8R1.11 CCC1CNCC1O Z1509030677 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.11 NCC1CCCC1O Z409444212 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [0,0,0,1,0,0|2,1,0]=4 55 B8R1.38 CCC(O)C1CCC1 Z1255407680 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.38 NCC(O)C1CCC1 Z2238624890 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.39 NC1(CC1)C(O)CO Z4280384138 [0,0,0,1,0,0|2,1,0]=4 58 B8R1.39 NCC(O)C1(CC1)Cl Z4312159091 [0,0,0,1,0,0|3,0,0]=4 59 B5R0.1 C#CCC(C)O Z969111576 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 CC(C)CCO Z104473558 [2,0,0,0,0,0|1,1,0]=4 61 B5R0.1 CC(N)CCO Z385458430 [2,0,0,0,0,0|1,1,0]=4 62 B5R0.1 CC(O)CC#N Z847151284 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 CC(O)CCN Z802904114 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.1 CC(O)CCO Z104473530 [2,0,0,0,0,0|0,1,0]=3 65 B5R0.1 CCCC(C)N Z2417819590 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 CN(C)CCS Z362025514 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 CNCC(C)O Z138692700 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 COCC(C)O Z825742124 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 CSCC(C)O Z732208306 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 C[C@@H](N)CCO Z1526453858 [2,0,0,0,0,0|1,1,0]=4 71 B5R0.1 C[C@@H](O)CCN Z1860991703 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|0,1,1]=4 73 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.2 NCCCCF Z2177031126 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.2 NCCCCN Z104472592 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.3 CC(CN)CO Z406342068 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.3 CC(CO)CS Z1262475362 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.3 CCC(C)CN Z2350903977 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.3 CCC(N)CN Z1263714131 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.3 CCC(N)CO Z104474862 [2,0,0,0,0,0|1,1,0]=4 81 B5R0.3 CCC(O)C#N Z419078094 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.3 CCC(O)CN Z419084746 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.3 CCC(O)CO Z600450538 [2,0,0,0,0,0|0,1,0]=3 84 B5R0.3 CC[C@@H](N)CO Z1203162359 [2,0,0,0,0,0|1,1,0]=4 85 B5R0.3 CC[C@H](N)CO Z1203162358 [2,0,0,0,0,0|1,1,0]=4 86 B5R0.3 NC(CO)CO Z1203577940 [2,0,0,0,0,0|1,1,0]=4 87 B5R0.3 NCC(O)CF Z2311274712 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.3 OCC(O)CO Z104473548 [2,0,0,0,0,0|0,1,0]=3 89 B5R0.3 OCC(O)CS Z1255382958 [2,0,0,0,0,0|0,0,0]=2 90 B5R0.5 CC(N)C(C)N Z2335631664 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.5 CC(O)C(C)O Z104473532 [2,0,0,0,0,0|0,0,0]=2 92 B7R0.2 CC(C)CC(O)CN Z1259162114 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.3 CCC(O)CCCN Z1259162031 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.3 CCNCC(O)CC Z600449680 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.3 CCOCC(O)CN Z271097110 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.3 CCOCC(O)CO Z1178483452 [1,1,0,0,0,0|1,1,0]=4 97 B7R0.5 CC(C)C(O)CCN Z1203588096 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.5 CC(C)C(O)CCO Z1532770488 [1,1,0,0,0,0|1,1,0]=4 99 B7R0.7 CCCC(O)CCO Z1198158209 [1,1,0,0,0,0|1,1,0]=4 100 B7R0.7 COCC(O)CCN Z1182310348 [1,1,0,0,0,0|1,1,0]=4 101 B7R0.7 NCCC(O)CCN Z4497194547 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.11 CC(O)(CO)CCO Z1238572721 [1,1,0,0,0,0|0,2,0]=4 103 B7R0.12 CCCC(CO)OC Z2050356185 [1,1,0,0,0,0|1,1,0]=4 104 B7R0.13 CC(C)C(C)(O)CN Z419085036 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [1,1,0,0,0,0|0,1,0]=3 106 B7R0.14 CC(C)(C)C(O)CN Z803056426 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.15 COC(CN)C(C)C Z2310718859 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.15 COC(CO)C(C)C Z1898597061 [1,1,0,0,0,0|1,1,0]=4 110 B7R0.15 COC(OC)C(C)O Z1167044501 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.16 CC(C)C(O)C(C)N Z975823338 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [1,1,0,0,0,0|0,1,0]=3 113 B7R1.1 BrCC1CCCO1 Z90660999 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.1 ClCC1CCCO1 Z56893271 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,1,0,0|1,1,0]=4 116 B7R1.2 CC1CC(CN1)O Z1201051000 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.2 CC1CC(CS1)N Z1203639702 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.2 CC1CCC(C1)O Z1233224917 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.3 NC1CCCSC1 Z1029463244 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 NC1CCSCC1 Z992716928 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.3 OC1CCCCC1 Z104473498 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.3 OC1CCCSC1 Z993818972 [1,0,0,1,0,0|1,0,0]=3 123 B7R1.3 OC1CCNCC1 Z56347197 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.3 OC1CCOCC1 Z1359429523 [1,0,0,1,0,0|1,1,0]=4 125 B7R1.3 OC1CCONC1 Z3325124334 [1,0,0,1,0,0|1,1,0]=4 126 B7R1.4 CC1SCCC1N Z2408712737 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.4 OC1CCCC1O Z600452564 [1,0,0,1,0,0|1,1,0]=4 132 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.22 NCC(O)C1CC1 Z802856322 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.25 NCC1(CCC1)O Z419084774 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.25 OCC1(CCC1)O Z1537124745 [1,0,0,1,0,0|1,1,0]=4 136 B7R1.18 CC(O)C1CCC1 Z1198149695 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.23 CC1(OC1CCl)C Z1205657657 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.23 CC1(OC1CO)C Z1486035926 [1,0,0,1,0,0|1,1,0]=4 139 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [1,0,0,1,0,0|1,1,0]=4 140 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [1,0,0,1,0,0|1,1,0]=4 141 B9R1.2 NC[C@@H]1C[C@@H](CCO1)O Z3200658572 [0,0,0,1,0,1|2,0,0]=4 142 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.3 O[C@H]1CNC[C@H]([C@H]1O)O Z1203732389 [0,1,0,1,0,0|1,1,0]=4 144 B9R1.132 OC[C@@H]1NC[C@H]([C@H]1O)O Z4452704152 [0,1,0,1,0,0|1,1,0]=4 145 B9R1.132 O[C@@H]1[C@@H](CN[C@H]1CF)O Z4497197479 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.138 CC1(NC[C@H]([C@H]1O)O)C Z4014985822 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.11 NCC(O)C1CCOC1 Z2418537435 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.15 COC1CCCCC1O Z425453594 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.15 OCC1CCCCC1O Z1198163949 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.40 C[C@]1(CCNC[C@@H]1O)O Z4437808787 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.40 C[C@]1(CNCC[C@@H]1O)O Z3333750066 [0,1,0,1,0,0|2,0,0]=4 154 B9R2.39 OC1CC2CCC1O2 Z1255395449 [0,0,0,2,0,0|2,0,0]=4 155 B9R2.24 O[C@@H]1[C@@H]2CO[C@H]1CN2 Z3379722157 [0,0,0,2,0,0|2,0,0]=4