0 B6R0.3 C#CC(C)N(C)C Z4928730999 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 C#CC(N)C(C)C Z1982493902 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 CC(C)C(=O)NN Z56926537 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CC(C)C(C)C#N Z415654752 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CC(C)C(C)CN Z415654990 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CC(C)C(N)C#N Z1266854874 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 CC(C)C(N)CN Z1266933925 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.3 CC(C)C(O)C#N Z802900598 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 CC(C)C(O)CN Z1255523288 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 CC(C)N(C)C=O Z1258520821 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,0,0,0,0,0|0,0,0]=0 15 B6R0.3 CC(CN)C(F)F Z3243520505 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.3 CC(CN)N(C)C Z367452450 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.3 CC(N)C(C)CO Z1203581847 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 CC(O)C(N)CN Z1250080890 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 CCC(C)C(C)N Z335455612 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.3 CCC(N)C(C)C Z823287438 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.3 CCC(O)C(C)C Z445987082 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.3 CCC(O)C(C)O Z1251352132 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.3 CN(C)C(=N)CN Z220638406 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.3 CN(C)C(=O)CN Z54751082 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.3 CN(C)C(=O)CO Z431952018 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.3 CNC(C)C(C)C Z139701846 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.3 COC(=N)C(C)C Z2944341356 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.3 CSC(C)C(C)O Z1273036711 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|2,1,1]=4 37 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|2,1,1]=4 40 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.1 C#CCC(C)N Z3490223481 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 C#CCC(C)O Z969111576 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 C=CCC(C)N Z1269638561 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CC(=CCN)C Z1827897919 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.1 CC(C)CC#N Z104473272 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 CC(C)CCO Z104473558 [1,0,0,0,0,0|0,0,0]=1 49 B5R0.1 CC(C)N=C=S Z56964589 [1,0,0,0,0,0|1,1,1]=4 50 B5R0.1 CC(C)NC=O Z1201617634 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 CC(N)CC#N Z1267773800 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(N)CCO Z385458430 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.1 CC(O)CC#N Z847151284 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 CN(C)CCF Z5487577684 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 CN(C)CCO Z104473552 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.1 CN(C)CCS Z362025514 [1,0,0,0,0,0|1,1,0]=3 60 B5R0.1 CNCC(C)C Z951367674 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 CNCC(C)N Z1413780485 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 COC[C@@H](C)N Z1270482298 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 COC[C@H](C)N Z1270502316 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 C#CC(N)CO Z2235790715 [1,0,0,0,0,0|0,0,2]=3 73 B5R0.3 C=C(CC)CN Z2238934536 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 C=CC(N)CO Z2146514374 [1,0,0,0,0,0|0,0,2]=3 75 B5R0.3 CC(C#N)CO Z406338220 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.3 CC(CN)CN Z951173758 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.3 CC(CN)CO Z406342068 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.3 CC(CO)CS Z1262475362 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.3 CCC(=O)CC Z104476878 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.3 CCC(=O)CN Z1203579016 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.3 CCC(C)CN Z2350903977 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.3 CCC(C)NC Z594038230 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.3 CCC(N)C#N Z445129502 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.3 CCC(N)CN Z1263714131 [1,0,0,0,0,0|1,0,0]=2 86 B5R0.3 CCC(N)CO Z104474862 [1,0,0,0,0,0|0,0,0]=1 87 B5R0.3 CCC(O)C#N Z419078094 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.3 CCC(O)CN Z419084746 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.3 CCC(O)CO Z600450538 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,0,0,0,0|0,0,0]=1 92 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,0,0,0,0|0,0,0]=1 93 B5R0.3 CNC(=O)CO Z431952700 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.3 CNC(C)CN Z941154208 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.3 COC(C)CN Z1795817756 [1,0,0,0,0,0|3,0,0]=4 96 B5R0.3 COC(C)CO Z1198150719 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.3 CSC(C)CN Z844632970 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.3 CSC(C)CO Z1273053291 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.3 N#CC(N)CO Z2301438409 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.3 NC(CO)CO Z1203577940 [1,0,0,0,0,0|1,0,0]=2 101 B5R0.3 NCC(F)CN Z2733320873 [1,0,0,0,0,0|3,0,0]=4 102 B5R0.3 NCC(N)CN Z1203578196 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.3 NCC(O)CF Z2311274712 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.3 O=C(CO)CO Z1255442144 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.3 OCC(O)CO Z104473548 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.3 OCC(O)CS Z1255382958 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.5 CC(=N)N(C)C Z1428159819 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|1,0,1]=3 109 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.5 CC(C)C(=N)N Z381357616 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|0,0,2]=3 112 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|1,0,2]=4 117 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.5 CC(N)C(C)N Z2335631664 [1,0,0,0,0,0|1,0,0]=2 119 B5R0.5 CC(O)C(=N)N Z2216711526 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|1,0,2]=4 121 B5R0.5 CC(O)C(C)O Z104473532 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.5 CN(C)C(=N)N Z1839480548 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.5 CN(C)C(=S)N Z56347524 [1,0,0,0,0,0|1,1,1]=4 125 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.5 C#CCC(O)C(C)C Z969111562 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.5 C#CCN(C)C(C)C Z2863519293 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.5 CC(C)C(=O)CC#N Z319444036 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.5 CC(C)C(C)CCN Z4760484132 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.5 CC(C)C(N)CCO Z979743766 [0,1,0,0,0,0|0,0,0]=1 134 B7R0.5 CC(C)C(O)CC#N Z1255499091 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.5 CC(C)C(O)CCN Z1203588096 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.5 CCNC(C)C(C)C Z910842872 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.5 CCOC(=N)C(C)C Z1623864182 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.5 CNCC(C)C(C)C Z3894049929 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.5 CNCC(N)C(C)C Z756920458 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.5 COCC(=O)C(C)C Z825742022 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.5 COCC(N)C(C)C Z825742262 [0,1,0,0,0,0|0,0,0]=1 146 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,1,0,0,0,0|0,0,0]=1 151 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.10 CCC(C)C(O)CN Z802901690 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|1,0,1]=3 155 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|1,0,1]=3 157 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|1,1,1]=4 158 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|1,1,1]=4 159 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.13 CC(C)C(C)(C)CN Z1770193479 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.13 CC(C)C(C)(N)C#N Z56943431 [0,1,0,0,0,0|1,0,1]=3 163 B7R0.13 CC(C)C(C)(N)CO Z2160887261 [0,1,0,0,0,0|0,0,0]=1 164 B7R0.13 CC(C)C(C)(O)CN Z419085036 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.13 CC(C)C(F)(F)CN Z2310716426 [0,1,0,0,0,0|2,0,0]=3 166 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.13 CC(N)(CO)C(F)F Z3487421443 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,1,0,0,0,0|2,0,0]=3 169 B7R0.13 CCC(C)(C)C(C)C Z1198148974 [0,1,0,0,0,0|2,0,0]=3 170 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [0,1,0,0,0,0|3,0,0]=4 171 B7R0.13 OCC(F)(F)C(F)F Z104477086 [0,1,0,0,0,0|3,0,0]=4 172 B7R0.14 C#CC(N)C(C)(C)C Z2082999410 [0,1,0,0,0,0|1,0,1]=3 173 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.14 CC(C#N)C(C)(C)C Z415654756 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.14 CC(C)(C)/C(=N/O)/N Z278180212 [0,1,0,0,0,0|1,0,1]=3 176 B7R0.14 CC(C)(C)C(=O)CN Z56800493 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.14 CC(C)(C)C(=O)NO Z59181923 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.14 CC(C)(C)C(N)C#N Z803055956 [0,1,0,0,0,0|1,0,1]=3 179 B7R0.14 CC(C)(C)C(N)CN Z1992316411 [0,1,0,0,0,0|1,0,0]=2 180 B7R0.14 CC(C)(C)C(N)CO Z2004547930 [0,1,0,0,0,0|0,0,0]=1 181 B7R0.14 CC(C)(C)C(O)CN Z803056426 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.14 CC(CN)C(C)(F)F Z3813453680 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.14 CCC(N)C(C)(F)F Z4077526422 [0,1,0,0,0,0|2,0,0]=3 185 B7R0.14 CC[C@H](N)C(F)(F)F Z1809367787 [0,1,0,0,0,0|3,0,0]=4 186 B7R0.14 CNC(C)C(C)(C)C Z335451384 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.14 N[C@H](CO)C(F)(F)F Z1198277881 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.15 C#CC(CN)C(C)C Z5582800511 [0,1,0,0,0,0|1,0,1]=3 189 B7R0.15 CCC(C#N)N(C)C Z2858786397 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.15 CCC(CC)C(C)N Z728804288 [0,1,0,0,0,0|3,0,0]=4 191 B7R0.15 CCC(CN)C(C)C Z608350088 [0,1,0,0,0,0|1,0,0]=2 192 B7R0.15 CCC(CN)N(C)C Z367678736 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.15 CCN(N=O)C(C)C Z2375613691 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.15 COC(C#N)C(C)C Z1270206972 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.15 COC(CN)C(C)C Z2310718859 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.15 COC(CO)C(C)C Z1898597061 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.15 CSC(CO)C(C)N Z1238540891 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|1,0,1]=3 199 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|1,0,1]=3 201 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|0,0,2]=3 202 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|0,0,1]=2 203 B7R0.16 CC(C)C(O)C(C)N Z975823338 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|1,0,1]=3 205 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|0,0,2]=3 206 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|0,0,1]=2 207 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|0,0,1]=2 208 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|1,0,1]=3 214 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|1,0,1]=3 215 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|1,0,1]=3 217 B7R1.4 C=C1COCC1N Z3066568668 [0,0,0,1,0,0|0,0,2]=3 218 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.4 CC1CCCC1N Z1219738990 [0,0,0,1,0,0|1,0,0]=2 220 B7R1.4 CC1CCNC1C Z1335657674 [0,0,0,1,0,0|3,0,0]=4 221 B7R1.4 CC1CNCC1C Z1281657986 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.4 CC1SCCC1N Z2408712737 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,0,0,1,0,0|1,0,0]=2 224 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,0,0,1,0,0|1,0,0]=2 225 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.4 NC1CONC1=O Z336087816 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [0,0,0,1,0,0|1,0,0]=2 234 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [0,0,0,1,0,0|1,0,0]=2 235 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,0,0,1,0,0|1,1,0]=3 237 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.4 OC1CCCC1O Z600452564 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.4 OC1CNCC1O Z1147229592 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,0,0,1,0,0|3,0,0]=4 245 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [0,0,0,1,0,0|2,0,0]=3 246 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.17 CC1(CCC1N)C Z1813195196 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.18 CN(C)C1CNC1 Z1741979349 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.18 FC(F)C1CCN1 Z2230912640 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,1,0,0|2,0,1]=4 252 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,0,1,0,0|2,0,1]=4 253 B7R1.19 CC(C)C1(CC1)N Z2216303073 [0,0,0,1,0,0|1,0,0]=2 254 B7R1.19 CC(C)C1(CO1)C Z1020679970 [0,0,0,1,0,0|1,0,0]=2 255 B7R1.19 CC(N)C1(CC1)F Z1510158579 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.22 C#CC(N)C1CC1 Z3335415540 [0,0,0,1,0,0|1,0,1]=3 257 B7R1.22 C=CC(N)C1CC1 Z3444558430 [0,0,0,1,0,0|1,0,1]=3 258 B7R1.22 CC(C#N)C1CC1 Z415654714 [0,0,0,1,0,0|2,0,1]=4 259 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,0,0,1,0,0|1,0,2]=4 260 B7R1.22 CC(CN)C1CC1 Z1259341042 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.22 CNC(C)C1CC1 Z270730248 [0,0,0,1,0,0|3,0,0]=4 262 B7R1.22 ClCC(Cl)C1CO1 Z1205657751 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.22 N#CC(N)C1CC1 Z1266854880 [0,0,0,1,0,0|1,0,1]=3 264 B7R1.22 N/C(=N\O)/C1CC1 Z335452744 [0,0,0,1,0,0|1,0,1]=3 265 B7R1.22 NC(CO)C1CC1 Z1362754532 [0,0,0,1,0,0|0,0,0]=1 266 B7R1.22 NCC(N)C1CC1 Z445154916 [0,0,0,1,0,0|1,0,0]=2 267 B7R1.22 NCC(O)C1CC1 Z802856322 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,0,0,1,0,0|1,0,1]=3 270 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,0,0,1,0,0|2,0,1]=4 271 B7R1.23 CC1(CC1C#N)C Z756145422 [0,0,0,1,0,0|2,0,1]=4 272 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,0,0,1,0,0|1,0,2]=4 273 B7R1.23 CC1(CC1CN)C Z1267773739 [0,0,0,1,0,0|2,0,0]=3 274 B7R1.23 CC1(CC1CO)C Z1198310193 [0,0,0,1,0,0|1,0,0]=2 275 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,0,0,1,0,0|1,0,2]=4 276 B7R1.23 CC1(OC1C#N)C Z1198150592 [0,0,0,1,0,0|2,0,1]=4 277 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,0,0,1,0,0|1,0,2]=4 278 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.23 CC1(OC1CO)C Z1486035926 [0,0,0,1,0,0|1,0,0]=2 280 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,0,0,1,0,0|1,0,0]=2 281 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,0,0,1,0,0|1,0,0]=2 282 B7R1.23 CNC1CC1(C)C Z1895742049 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,0,0,1,0,0|1,0,2]=4 284 B7R1.30 C[C@@H]1[C@H](C1(F)F)N Z4196355975 [0,0,0,1,0,0|3,0,0]=4 285 B7R0.2 CC(C)CC(C)C#N Z415654744 [0,0,0,0,0,1|2,0,1]=4 286 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,0,0,0,0,1|1,0,0]=2 287 B7R0.2 CC(C)CC(N)C#N Z449369050 [0,0,0,0,0,1|1,0,1]=3 288 B7R0.2 CC(C)CC(N)CN Z425861052 [0,0,0,0,0,1|1,0,0]=2 289 B7R0.2 CC(C)CC(N)CO Z734151210 [0,0,0,0,0,1|0,0,0]=1 290 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,0,0,0,0,1|2,0,0]=3 291 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,0,0,0,0,1|2,0,1]=4 292 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,0,0,0,0,1|1,0,1]=3 293 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,0,0,0,0,1|2,0,1]=4 294 B7R0.2 CC(CN)CN(C)C Z406338972 [0,0,0,0,0,1|3,0,0]=4 295 B7R0.2 CC(CO)CC(F)F Z2285508033 [0,0,0,0,0,1|3,0,0]=4 296 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,0,0,0,0,1|3,0,0]=4 297 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,0,0,0,0,1|3,0,0]=4 298 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,0,0,0,0,1|2,0,1]=4 299 B7R0.2 CN(C)CC(N)CO Z2092369044 [0,0,0,0,0,1|1,0,0]=2 300 B7R0.2 CN(C)CC(O)CN Z270894906 [0,0,0,0,0,1|3,0,0]=4 301 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|0,0,2]=4 302 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,1]=4 303 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.1 CC(F)CN Z2941405027 [2,0,0,0,0,0|1,0,0]=3 305 B4R0.1 CC(N)CF Z2096088772 [2,0,0,0,0,0|1,0,0]=3 306 B4R0.1 CC(N)CN Z104474490 [2,0,0,0,0,0|1,0,0]=3 307 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,0]=3 308 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|1,0,1]=4 310 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|0,0,2]=4 311 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,1]=4 312 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|0,1,1]=4 313 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|0,0,0]=2 314 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|1,0,0]=3 315 B4R0.1 C[C@@H](N)CN Z3234812272 [2,0,0,0,0,0|1,0,0]=3 316 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|0,0,0]=2 317 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,0]=3 318 B4R0.1 C[C@H](N)CN Z1741977335 [2,0,0,0,0,0|1,0,0]=3 319 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,0]=3 320 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,0]=3 321 B4R0.1 N=C(N)CO Z1259341033 [2,0,0,0,0,0|1,0,1]=4 322 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,1]=4 323 B4R0.1 NCC(F)F Z1295543893 [2,0,0,0,0,0|2,0,0]=4 324 B4R0.1 OCC(F)F Z397587054 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 326 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,0]=2 328 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 329 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,0]=3 330 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,0]=3 331 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|2,0,0]=4 332 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,0]=3 333 B6R0.1 CC(CN)CCO Z1203581915 [1,1,0,0,0,0|0,0,0]=2 334 B6R0.1 CC(CO)CCN Z5410631465 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.1 CCC(C)CNC Z1266854907 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.1 CCC(N)CCO Z1258578227 [1,1,0,0,0,0|1,0,0]=3 337 B6R0.1 CCC(O)CCN Z406342052 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.1 CCC(O)CCO Z1198157972 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.1 CCCC(C)C#N Z415654768 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.1 CCCC(C)NC Z394693580 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.1 CCCC(N)CC Z1642389626 [1,1,0,0,0,0|2,0,0]=4 342 B6R0.1 CCCC(N)CN Z425861040 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|2,0,0]=4 344 B6R0.1 CCNC(C)CC Z2509351098 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.1 CCOC(C)CN Z844631802 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.1 CNC(C)CC#N Z666295372 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.1 CNC(C)CCO Z1198266877 [1,1,0,0,0,0|0,0,0]=2 349 B6R0.1 CNC(C)COC Z815264298 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.1 CNC(C)CSC Z995116552 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.1 CNCC(C)OC Z2065788390 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.1 COC(C)CC#N Z847151020 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.1 COC(C)CCN Z802903932 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.1 COCC(C)CO Z1192375999 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.1 CSC(C)CCN Z732208464 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.1 CSC(C)CCO Z1262258908 [1,1,0,0,0,0|0,0,0]=2 357 B6R0.1 CSCC(C)CN Z732208434 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.1 CSCC(C)CO Z1270310211 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.1 NCC[C@H](F)CN Z4607150940 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.2 CC(C)CB(O)O Z1098324138 [1,1,0,0,0,0|1,0,0]=3 361 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|0,0,2]=4 363 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|0,0,1]=3 364 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|1,0,1]=4 365 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.4 C#CCCC(C)O Z854048672 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.4 C#CCNC(C)C Z2855995857 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.4 C=CCCC(C)N Z3681295487 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.4 C=CCNC(C)C Z607822478 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.4 C=COCC(C)C Z916978390 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.4 CC(C)CCCN Z992716898 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.4 CC(C)CN=C=S Z87001659 [1,1,0,0,0,0|0,1,1]=4 374 B6R0.4 CC(C)NCC#N Z224190250 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.4 CC(C)NCCN Z3375885739 [1,1,0,0,0,0|1,0,0]=3 376 B6R0.4 CC(C)NCCO Z137800940 [1,1,0,0,0,0|0,0,0]=2 377 B6R0.4 CC(C)OCC#N Z295206482 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.4 CC(C)OCCN Z1688198421 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.4 CC(C)OCCO Z104478444 [1,1,0,0,0,0|0,0,0]=2 380 B6R0.4 CC(C)SCCN Z2092369402 [1,1,0,0,0,0|1,0,0]=3 381 B6R0.4 CC(N)CCCN Z2230911100 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.4 CC(N)CCCO Z1203578676 [1,1,0,0,0,0|1,0,0]=3 383 B6R0.4 CC(O)CCCN Z1198178891 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.4 CCCCC(C)N Z3300506318 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.4 CCNCC(C)C Z380844664 [1,1,0,0,0,0|1,0,0]=3 386 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.4 CCOCC(C)N Z839575202 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.4 CCSCC(C)N Z1203641186 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.4 CN(C)CCC#N Z57980324 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.4 CNCCC(C)C Z607822512 [1,1,0,0,0,0|1,0,0]=3 391 B6R0.4 CNCCC(C)O Z1203731868 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.4 CNCCN(C)C Z138123106 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,1]=4 394 B6R0.4 COCCC(C)N Z361881180 [1,1,0,0,0,0|1,0,0]=3 395 B6R0.4 COCCC(C)O Z818738042 [1,1,0,0,0,0|1,0,0]=3 396 B6R0.4 COCCN(C)C Z5121096537 [1,1,0,0,0,0|1,0,0]=3 397 B6R0.5 C#CCC(C)(C)N Z3210767531 [1,1,0,0,0,0|1,0,1]=4 398 B6R0.5 C#CCC(C)(C)O Z1098923701 [1,1,0,0,0,0|1,0,1]=4 399 B6R0.5 CC(C)(F)CCN Z2515207542 [1,1,0,0,0,0|1,0,0]=3 400 B6R0.5 CC(C)(N)CCF Z4297373689 [1,1,0,0,0,0|1,0,0]=3 401 B6R0.5 CC(C)(N)CCN Z2218555716 [1,1,0,0,0,0|1,0,0]=3 402 B6R0.5 CC(C)(N)CCO Z1198183553 [1,1,0,0,0,0|0,0,0]=2 403 B6R0.5 CC(C)(O)CC#N Z1182322175 [1,1,0,0,0,0|1,0,1]=4 404 B6R0.5 CC(F)(F)CCN Z2230911674 [1,1,0,0,0,0|2,0,0]=4 405 B6R0.5 CCCC(C)(C)N Z1262250787 [1,1,0,0,0,0|1,0,0]=3 406 B6R0.5 CCCC(C)(C)O Z449374450 [1,1,0,0,0,0|1,0,0]=3 407 B6R0.5 CNCC(C)(C)C Z992717054 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.5 CNCC(C)(C)O Z600453550 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.5 COCC(C)(C)N Z1258578421 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.5 C[N+](C)(C)CCBr Z1269136668 [1,1,0,0,0,0|2,0,0]=4 411 B6R0.5 C[N+](C)(C)CCF Z1255450613 [1,1,0,0,0,0|2,0,0]=4 412 B6R0.5 C[N+](C)(C)CCO Z2758800560 [1,1,0,0,0,0|1,0,0]=3 413 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.8 CC(C)(CN)CO Z3247605488 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.8 CC(N)(C#N)CO Z2082998957 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.8 CCC(C)(C)CO Z995039230 [1,1,0,0,0,0|1,0,0]=3 417 B6R0.8 CCC(C)(N)CC Z1267881628 [1,1,0,0,0,0|1,0,0]=3 418 B6R0.8 CCC(C)(N)CN Z425861002 [1,1,0,0,0,0|1,0,0]=3 419 B6R0.8 CCC(C)(N)CO Z734150850 [1,1,0,0,0,0|0,0,0]=2 420 B6R0.8 CCC(C)(O)CC Z449374480 [1,1,0,0,0,0|2,0,0]=4 421 B6R0.8 CCC(C)(O)CN Z419085064 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.8 CNC(C)(C)CO Z425727892 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.8 COC(C)(C)CO Z1255430497 [1,1,0,0,0,0|2,0,0]=4 424 B6R0.9 C#CC(CC)CN Z5851994475 [1,1,0,0,0,0|1,0,1]=4 425 B6R0.9 CCC(C#N)NC Z2472860014 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.9 CCC(CC)NC Z1262254286 [1,1,0,0,0,0|1,0,0]=3 427 B6R0.9 CCC(CN)OC Z2168541798 [1,1,0,0,0,0|2,0,0]=4 428 B6R0.9 CCC(CO)CO Z1198261463 [1,1,0,0,0,0|1,0,0]=3 429 B6R0.9 CCC(CO)OC Z1255373272 [1,1,0,0,0,0|1,0,0]=3 430 B6R0.9 CNC(CO)CO Z1939437574 [1,1,0,0,0,0|1,0,0]=3 431 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,1,0,0,0,0|1,0,1]=4 432 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [1,1,0,0,0,0|0,0,2]=4 433 B6R0.7 CC(C)(C)C(=N)N Z56771178 [1,1,0,0,0,0|1,0,1]=4 434 B6R0.7 CC(C)(C)C(=O)N Z56895677 [1,1,0,0,0,0|0,0,2]=4 435 B6R0.7 CC(C)(C)C(=S)N Z278180216 [1,1,0,0,0,0|0,1,1]=4 436 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.7 CC(C)(N)C(=O)N Z752371206 [1,1,0,0,0,0|0,0,2]=4 438 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.7 CC(C)(O)C(F)F Z1413814779 [1,1,0,0,0,0|2,0,0]=4 441 B6R0.7 CC(C)C(C)(C)N Z1270446314 [1,1,0,0,0,0|0,0,0]=2 442 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.7 CC(N)C(C)(C)F Z3487099771 [1,1,0,0,0,0|0,0,0]=2 444 B6R0.7 CC(N)C(C)(F)F Z2234631218 [1,1,0,0,0,0|1,0,0]=3 445 B6R0.7 CC(N)C(F)(F)F Z2120060909 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.7 CC(O)C(C)(C)N Z3688848535 [1,1,0,0,0,0|1,0,0]=3 447 B8R0.2 CC(CO)C(C)N(C)C Z1705861637 [0,1,0,0,0,1|2,0,0]=4 448 B8R0.2 CCC(N)C(O)C(C)C Z2301500146 [0,1,0,0,0,1|1,0,0]=3 449 B8R0.5 CC(C)CC(N)CCO Z223025192 [0,1,0,0,0,1|0,0,0]=2 450 B8R0.5 CNCC(N)CC(C)C Z756920456 [0,1,0,0,0,1|1,0,0]=3 451 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,1,0,0,0,1|1,0,1]=4 452 B8R0.16 CC(C)CC(CN)CO Z1945704754 [0,1,0,0,0,1|0,0,0]=2 453 B8R0.16 CCC(CC)CC(C)C Z3300757366 [0,1,0,0,0,1|2,0,0]=4 454 B8R0.16 COC(CN)CC(C)C Z1270207720 [0,1,0,0,0,1|2,0,0]=4 455 B8R0.16 COC(CO)CC(C)C Z2050575509 [0,1,0,0,0,1|1,0,0]=3 456 B8R0.19 CC(CO)CC(C)CO Z1509057634 [0,1,0,0,0,1|1,0,0]=3 457 B8R0.19 CC(CO)OC(C)CO Z1198222881 [0,1,0,0,0,1|1,0,0]=3 458 B8R0.19 CCC(C)CC(C)NC Z5008996647 [0,1,0,0,0,1|2,0,0]=4 459 B8R0.19 CCC(C)CC(N)CO Z1198179422 [0,1,0,0,0,1|0,0,0]=2 460 B8R0.19 CCC(N)CC(C)CO Z1270456881 [0,1,0,0,0,1|1,0,0]=3 461 B8R0.23 CC(C)C(N)CN(C)C Z2313092275 [0,1,0,0,0,1|2,0,0]=4 462 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,1|1,0,1]=4 463 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,1|0,0,1]=3 464 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,1|0,0,1]=3 465 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,1|0,0,1]=3 466 B8R0.23 CC(C)NC(=O)C(C)O Z431951892 [0,1,0,0,0,1|1,0,1]=4 467 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,1,0,0,0,1|1,0,1]=4 468 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,1,0,0,0,1|1,0,1]=4 469 B8R0.24 C#CC(N)CC(C)(C)C Z5797749471 [0,1,0,0,0,1|1,0,1]=4 470 B8R0.24 CC(C)(C)CC(N)CN Z1992316386 [0,1,0,0,0,1|1,0,0]=3 471 B8R0.24 CC(C)(C)CC(N)CO Z1041195604 [0,1,0,0,0,1|0,0,0]=2 472 B8R0.24 CC(C)(C)CC(O)CN Z1041195378 [0,1,0,0,0,1|2,0,0]=4 473 B8R0.24 CC(C)(C)NC(=O)CO Z431952026 [0,1,0,0,0,1|1,0,1]=4 474 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [0,1,0,0,0,1|1,0,1]=4 475 B8R0.24 CC(CO)CC(C)(C)N Z1270446291 [0,1,0,0,0,1|1,0,0]=3 476 B8R0.24 CC(F)(F)CC(N)CO Z3710553861 [0,1,0,0,0,1|1,0,0]=3 477 B8R0.24 CCC(C)CC(C)(C)O Z1258798904 [0,1,0,0,0,1|2,0,0]=4 478 B8R0.34 CC(C)CC(C)(C)CN Z1359429576 [0,1,0,0,0,1|2,0,0]=4 479 B8R0.34 CC(C)CC(C)(N)CO Z734150960 [0,1,0,0,0,1|0,0,0]=2 480 B8R0.34 CC(C)NC(C)(C)CO Z267081438 [0,1,0,0,0,1|1,0,0]=3 481 B8R0.34 CC(C)OC(C)(C)CN Z3034773037 [0,1,0,0,0,1|2,0,0]=4 482 B8R0.34 CC(N)(CO)CC(F)F Z3809726461 [0,1,0,0,0,1|2,0,0]=4 483 B8R0.34 CN(C)CC(F)(F)CO Z3602579190 [0,1,0,0,0,1|2,0,0]=4 484 B8R0.3 CCCC(C)C(N)CO Z2379035176 [0,2,0,0,0,0|0,0,0]=2 485 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,2,0,0,0,0|2,0,0]=4 486 B8R0.8 COCCC(=O)C(C)C Z818737942 [0,2,0,0,0,0|1,0,1]=4 487 B8R0.8 COCCC(N)C(C)C Z4913680141 [0,2,0,0,0,0|0,0,0]=2 488 B8R0.8 COCCC(O)C(C)C Z818738034 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.12 CC(C)C(F)(F)CCN Z2732522124 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.14 C#CCC(O)C(C)(C)C Z969111588 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.14 CC(C)(C)C(N)CCO Z223025190 [0,2,0,0,0,0|0,0,0]=2 492 B8R0.14 CCCC(N)C(C)(C)C Z2235409321 [0,2,0,0,0,0|1,0,0]=3 493 B8R0.14 NC(CCO)C(F)(F)F Z1198183494 [0,2,0,0,0,0|2,0,0]=4 494 B8R0.13 CSC(C)(C)[C@H](N)CO Z228588390 [0,2,0,0,0,0|0,0,0]=2 495 B8R0.20 CCC(C)C(CN)OC Z1270207707 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.20 CCC(C)C(CO)OC Z2234631187 [0,2,0,0,0,0|1,0,0]=3 497 B8R0.20 CCC(CC)C(O)CN Z802901136 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.20 CCC(N)C(OC)OC Z1860991708 [0,2,0,0,0,0|1,0,0]=3 499 B8R0.17 CC(C)(C)C(C)(C)CN Z2217033075 [0,2,0,0,0,0|2,0,0]=4 500 B8R0.17 CC(C)(C)C(C)(N)C#N Z247612948 [0,2,0,0,0,0|1,0,1]=4 501 B8R0.17 CC(C)(C)C(C)(O)CN Z3067125760 [0,2,0,0,0,0|2,0,0]=4 502 B8R0.17 CC(C)(N)C(C)(C)CO Z1342879033 [0,2,0,0,0,0|1,0,0]=3 503 B8R0.17 CC(C)(O)C(C)(C)CO Z1255360655 [0,2,0,0,0,0|1,0,0]=3 504 B8R0.17 CC(C)(O)C(F)(F)CN Z2895308953 [0,2,0,0,0,0|2,0,0]=4 505 B8R0.17 CC(N)(CO)C(F)(F)F Z1510155344 [0,2,0,0,0,0|2,0,0]=4 506 B8R0.17 CCC(F)(F)C(C)(C)N Z3033546635 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.36 CCC(C)(CN)C(C)O Z1259285407 [0,2,0,0,0,0|2,0,0]=4 508 B8R0.36 CCC(N)(CC)C(C)C Z449374562 [0,2,0,0,0,0|1,0,0]=3 509 B8R0.36 CN(C)C(C)(CO)CO Z2235386894 [0,2,0,0,0,0|2,0,0]=4 510 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|1,0,1]=4 511 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|1,0,1]=4 512 B8R0.37 CC(C)C(C)(O)C(C)C Z449374554 [0,2,0,0,0,0|2,0,0]=4 513 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|1,0,1]=4 514 B8R0.37 CC(O)C(C)(O)C(C)O Z1896353427 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.26 CC(C)(C)C(CO)CO Z1255427736 [0,2,0,0,0,0|1,0,0]=3 516 B8R0.26 CCC(CN)C(C)(F)F Z3717234675 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.26 CNC(CO)C(C)(C)C Z803056522 [0,2,0,0,0,0|0,0,0]=2 518 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|1,0,1]=4 519 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|0,0,1]=3 520 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,2,0,0,0,0|1,0,1]=4 521 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,2,0,0,0,0|0,0,2]=4 522 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|0,0,1]=3 523 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|1,0,1]=4 524 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|1,0,1]=4 525 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|0,0,1]=3 526 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|0,0,1]=3 527 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|0,0,1]=3 528 B8R0.27 CC(C)C(N)C(F)(F)F Z1741978730 [0,2,0,0,0,0|1,0,0]=3 529 B8R0.27 CC(C)[C@H](N)C(F)(F)F Z1741978732 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.27 C[C@@H](O)[C@H](N)C(F)(F)F Z4381483521 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|0,0,1]=3 532 B8R0.18 CC(C)C(CN)C(C)C Z1815155509 [0,2,0,0,0,0|1,0,0]=3 533 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|1,0,0]=3 534 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|1,0,1]=4 535 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,1,0,0|2,0,0]=4 536 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,1,0,0|1,0,0]=3 537 B6R1.2 CC1CNNC1 Z4953319766 [1,0,0,1,0,0|2,0,0]=4 538 B6R1.2 FC1CCNC1 Z1139751347 [1,0,0,1,0,0|2,0,0]=4 539 B6R1.2 NC1CCOC1 Z802544198 [1,0,0,1,0,0|1,0,0]=3 540 B6R1.2 NC1CCSC1 Z1267885911 [1,0,0,1,0,0|1,1,0]=4 541 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|1,0,0]=3 542 B6R1.2 OC1CCSC1 Z335244836 [1,0,0,1,0,0|1,1,0]=4 543 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [1,0,0,1,0,0|2,0,0]=4 544 B6R1.2 O[C@H]1CCNC1 Z1263714116 [1,0,0,1,0,0|2,0,0]=4 545 B6R1.3 ClCCC1CO1 Z1205657512 [1,0,0,1,0,0|2,0,0]=4 546 B6R1.3 NCCC1CC1 Z1267773823 [1,0,0,1,0,0|1,0,0]=3 547 B6R1.3 O=CCC1CC1 Z905066058 [1,0,0,1,0,0|0,0,2]=4 548 B6R1.3 OCCC1CC1 Z826525694 [1,0,0,1,0,0|0,0,0]=2 549 B6R1.5 CC1CC(C1)N Z1357823942 [1,0,0,1,0,0|1,0,0]=3 550 B6R1.5 CC1CC(N1)C Z2143576622 [1,0,0,1,0,0|2,0,0]=4 551 B6R1.5 CN1CC(C1)N Z1741969265 [1,0,0,1,0,0|2,0,0]=4 552 B6R1.5 NC1CC(C1)N Z1511513968 [1,0,0,1,0,0|2,0,0]=4 553 B6R1.5 N[C@H]1C[C@@H](C1)N Z3244521251 [1,0,0,1,0,0|2,0,0]=4 554 B6R1.5 N[C@H]1C[C@H](C1)F Z3015579885 [1,0,0,1,0,0|2,0,0]=4 555 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [1,0,0,1,0,0|1,0,0]=3 556 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [1,0,0,1,0,0|1,0,0]=3 557 B6R1.8 CC1CC1C#N Z1079178904 [1,0,0,1,0,0|1,0,1]=4 558 B6R1.8 CC1CC1C=O Z1079442440 [1,0,0,1,0,0|0,0,2]=4 559 B6R1.8 CC1CC1CN Z415636622 [1,0,0,1,0,0|1,0,0]=3 560 B6R1.8 CC1CC1CO Z397587430 [1,0,0,1,0,0|0,0,0]=2 561 B6R1.8 CC1OC1CCl Z1205657581 [1,0,0,1,0,0|2,0,0]=4 562 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [1,0,0,1,0,0|0,0,2]=4 563 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [1,0,0,1,0,0|0,0,2]=4 564 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [1,0,0,1,0,0|2,0,0]=4 565 B6R1.9 CC1(CC1N)C Z1259335876 [1,0,0,1,0,0|1,0,0]=3 566 B6R1.9 CC1OC1(C)C Z1255419606 [1,0,0,1,0,0|2,0,0]=4 567 B6R1.10 CC1(CCC1)N Z1741969618 [1,0,0,1,0,0|2,0,0]=4 568 B6R1.10 CC1(CCC1)O Z1241455013 [1,0,0,1,0,0|2,0,0]=4 569 B6R1.10 CC1(CCN1)C Z1198749898 [1,0,0,1,0,0|1,0,0]=3 570 B6R1.10 CC1(CNC1)C Z2142036999 [1,0,0,1,0,0|2,0,0]=4 571 B6R1.11 CC(C)C1CO1 Z1020679856 [1,0,0,1,0,0|0,0,0]=2 572 B6R1.11 CC(N)C1CC1 Z89283349 [1,0,0,1,0,0|2,0,0]=4 573 B6R1.4 CC1CCC1N Z2082999653 [1,0,0,1,0,0|1,0,0]=3 574 B6R1.6 CCC1CNC1 Z1203733931 [1,0,0,1,0,0|2,0,0]=4 575 B6R1.6 NCC1CCC1 Z381061564 [1,0,0,1,0,0|2,0,0]=4 576 B6R1.7 C#CC1(CC1)N Z1203653659 [1,0,0,1,0,0|1,0,1]=4 577 B6R1.7 CC1(CC1)CN Z1335657802 [1,0,0,1,0,0|2,0,0]=4 578 B6R1.7 CC1(CO1)CCl Z1201618277 [1,0,0,1,0,0|2,0,0]=4 579 B6R1.7 CCC1(CC1)N Z2234631229 [1,0,0,1,0,0|1,0,0]=3 580 B6R1.7 CCC1(CO1)C Z1020679924 [1,0,0,1,0,0|1,0,0]=3 581 B6R1.7 N#CC1(CC1)N Z1741972043 [1,0,0,1,0,0|1,0,1]=4 582 B6R1.7 NC1(CC1)CO Z1741975623 [1,0,0,1,0,0|0,0,0]=2 583 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [1,0,0,1,0,0|1,0,0]=3 584 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [1,0,0,1,0,0|1,0,0]=3 585 B8R1.1 CC1CCC(O1)CN Z1438307598 [0,0,0,1,0,1|2,0,0]=4 586 B8R1.1 CCC1CC(CN1)C Z1203749385 [0,0,0,1,0,1|1,0,0]=3 587 B8R1.1 CCC1CCC(N1)C Z1582263727 [0,0,0,1,0,1|2,0,0]=4 588 B8R1.1 CN1CCC(C1)CO Z976730728 [0,0,0,1,0,1|2,0,0]=4 589 B8R1.1 OCC1CC(CN1)F Z1753033006 [0,0,0,1,0,1|1,0,0]=3 590 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,0,0,1,0,1|1,0,1]=4 591 B8R1.4 CC1CC(CCN1)N Z3950506166 [0,0,0,1,0,1|2,0,0]=4 592 B8R1.4 CC1CCCC(C1)N Z367450918 [0,0,0,1,0,1|1,0,0]=3 593 B8R1.4 CC1CCCC(N1)C Z104474330 [0,0,0,1,0,1|2,0,0]=4 594 B8R1.4 CC1CNCC(C1)C Z104474332 [0,0,0,1,0,1|2,0,0]=4 595 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,0,0,1,0,1|2,0,0]=4 596 B8R1.4 CC1CNCC(N1)C Z916970166 [0,0,0,1,0,1|2,0,0]=4 597 B8R1.4 CC1CNCC(O1)C Z104472602 [0,0,0,1,0,1|2,0,0]=4 598 B8R1.4 CC1CNCC(S1)C Z855784294 [0,0,0,1,0,1|2,0,0]=4 599 B8R1.4 CC1COCC(N1)C Z1255523283 [0,0,0,1,0,1|1,0,0]=3 600 B8R1.4 CN1CCCC(C1)N Z600584196 [0,0,0,1,0,1|2,0,0]=4 601 B8R1.4 C[C@@H]1CCC[C@H](N1)C Z1925930354 [0,0,0,1,0,1|2,0,0]=4 602 B8R1.4 C[C@@H]1CNC[C@@H](C1)C Z2944520936 [0,0,0,1,0,1|2,0,0]=4 603 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,0,0,1,0,1|2,0,0]=4 604 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,0,0,1,0,1|2,0,0]=4 605 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,0,0,1,0,1|2,0,0]=4 606 B8R1.4 C[C@H]1CCC[C@H](N1)C Z1203730759 [0,0,0,1,0,1|2,0,0]=4 607 B8R1.4 C[C@H]1CNC[C@H](N1)C Z1203730758 [0,0,0,1,0,1|2,0,0]=4 608 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [0,0,0,1,0,1|2,0,0]=4 609 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,0,0,1,0,1|2,0,0]=4 610 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,0,0,1,0,1|2,0,0]=4 611 B8R1.4 N[C@@H]1CNC[C@@H](C1)N Z3175310488 [0,0,0,1,0,1|2,0,0]=4 612 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,0,0,1,0,1|2,0,0]=4 613 B8R1.18 CC1CC(C(O1)C)N Z2719326610 [0,0,0,1,0,1|2,0,0]=4 614 B8R1.18 NC1C[C@@H]([C@@H](C1)O)O Z2830494512 [0,0,0,1,0,1|2,0,0]=4 615 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [0,0,0,1,0,1|1,0,0]=3 616 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)N)N Z4512888469 [0,0,0,1,0,1|2,0,0]=4 617 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)O)O Z1262685736 [0,0,0,1,0,1|2,0,0]=4 618 B8R1.20 CC(C)C[C@@H]1C[C@H]1N Z2286708089 [0,0,0,1,0,1|2,0,0]=4 619 B8R1.29 CC1(C[C@H]([C@H]1O)N)C Z3486644250 [0,0,0,1,0,1|0,0,0]=2 620 B8R1.31 CN(C)[C@@H]1CC[C@H]1N Z2568757699 [0,0,0,1,0,1|2,0,0]=4 621 B8R1.34 CC(C)NC1CCC1 Z1250100767 [0,0,0,1,0,1|2,0,0]=4 622 B8R1.40 C#CC(N)CC1CC1 Z3302649438 [0,0,0,1,0,1|1,0,1]=4 623 B8R1.40 NC(CO)CC1CC1 Z1198179456 [0,0,0,1,0,1|0,0,0]=2 624 B8R1.40 NCC(O)CC1CC1 Z2310701824 [0,0,0,1,0,1|2,0,0]=4 625 B8R1.40 O=C(CO)NC1CC1 Z431952008 [0,0,0,1,0,1|1,0,1]=4 626 B8R1.42 CC(C)CC1(CC1)N Z2574360283 [0,0,0,1,0,1|1,0,0]=3 627 B8R1.42 CN(C)CC1(CC1)N Z3018642735 [0,0,0,1,0,1|2,0,0]=4 628 B8R1.43 CC(C)[C@@H]1C[C@H]1CN Z2235814456 [0,0,0,1,0,1|2,0,0]=4 629 B8R1.51 CC1(CC(CO1)N)C Z2938030584 [0,0,0,1,0,1|0,0,0]=2 630 B8R1.51 CC1CCC(N1)(C)C Z2238934548 [0,0,0,1,0,1|2,0,0]=4 631 B8R1.51 CC1CNC(C1)(C)C Z1203731935 [0,0,0,1,0,1|2,0,0]=4 632 B8R1.53 CC1(CC(C1)CN)C Z1762997337 [0,0,0,1,0,1|2,0,0]=4 633 B8R1.53 CC1(CC(C1)CO)C Z1255460358 [0,0,0,1,0,1|1,0,0]=3 634 B8R1.62 CC1CC(C1)(C)CN Z3272614457 [0,0,0,1,0,1|2,0,0]=4 635 B8R1.62 NC1(CC(C1)O)CO Z4354944969 [0,0,0,1,0,1|1,0,0]=3 636 B8R1.62 N[C@@]1(C[C@@H](C1)O)CO Z4425391382 [0,0,0,1,0,1|1,0,0]=3 637 B8R1.65 CC1(CC1(C)CN)C Z2785821835 [0,0,0,1,0,1|2,0,0]=4 638 B8R1.5 CC1CCCCC1O Z104478402 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.5 CC1CCCNC1C Z959345762 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.5 CC1CCNCC1N Z4351244628 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.5 CC1CCOCC1N Z3035821495 [0,1,0,1,0,0|0,0,0]=2 642 B8R1.5 CC1CNCCC1O Z1742055068 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|1,0,1]=4 644 B8R1.5 CC1COCCC1N Z1868316869 [0,1,0,1,0,0|0,0,0]=2 645 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.5 CC1NCCCC1O Z2235409289 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.5 C[C@@H]1CC=CC[C@H]1N Z2935743479 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,1,0,1,0,0|2,0,0]=4 650 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.5 NC1CCCCC1N Z104474510 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,1,0,0|1,0,0]=3 660 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.5 O[C@H]1CONC[C@H]1O Z3073361071 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.7 CC(C)C1CCNC1 Z1405445651 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.7 CC(N)C1CCCN1 Z742893600 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.7 CC(N)C1CCOC1 Z1982494014 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.7 CN(C)C1CCNC1 Z336080084 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.7 CN(C)[C@@H]1CCNC1 Z1198181845 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.19 CC1(CNCC1O)C Z1925930473 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.19 CC1CCCC1(C)N Z1509036056 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.19 CC1CCNC1(C)C Z4775586804 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.19 CC1NCCC1(C)C Z3016741300 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.19 NC1COCC1(F)F Z4184667162 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [0,1,0,1,0,0|0,0,1]=3 681 B8R1.23 CC(C)C1CC(C1)N Z3590414574 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.27 COCC1OC1(C)C Z4188724290 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.30 CC(C)C1(CC1N)C Z2266153243 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|0,0,1]=3 685 B8R1.37 C#CCC(O)C1CC1 Z969111584 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.37 CCNC(C)C1CC1 Z3247949382 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.37 CNCC(O)C1CC1 Z1020680710 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.37 COCC(=O)C1CC1 Z1172086177 [0,1,0,1,0,0|1,0,1]=4 689 B8R1.37 COCC(N)C1CC1 Z1172086001 [0,1,0,1,0,0|0,0,0]=2 690 B8R1.37 COCC(O)C1CC1 Z1172090355 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.37 NC(CCO)C1CC1 Z1255523331 [0,1,0,1,0,0|0,0,0]=2 692 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|1,0,1]=4 693 B8R1.54 CC(C)C(N)C1CC1 Z2574914382 [0,1,0,1,0,0|1,0,0]=3 694 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|0,0,2]=4 695 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|0,0,1]=3 696 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.78 CC(C)C1(CCN1)C Z4320914554 [0,1,0,1,0,0|1,0,0]=3 698 B8R1.11 CC1CCCC1C#N Z1258611152 [0,1,0,1,0,0|1,0,1]=4 699 B8R1.11 CC1CCCC1C=O Z1268606470 [0,1,0,1,0,0|2,0,0]=4 700 B8R1.11 CC1CCNC1CO Z1203831515 [0,1,0,1,0,0|0,0,0]=2 701 B8R1.11 CC1NCCC1CO Z1255464335 [0,1,0,1,0,0|1,0,0]=3 702 B8R1.11 CCC1CCCC1N Z813018518 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.11 CCC1CCNC1C Z1723849126 [0,1,0,1,0,0|2,0,0]=4 704 B8R1.11 CCC1CNCC1O Z1509030677 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.11 CCC1NCCC1C Z1723849174 [0,1,0,1,0,0|1,0,0]=3 706 B8R1.11 CN1CCCC1CN Z326202522 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.11 COC1CCCC1O Z854223428 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,1,0,1,0,0|2,0,0]=4 711 B8R1.11 CO[C@@H]1CNC[C@H]1F Z2307368321 [0,1,0,1,0,0|2,0,0]=4 712 B8R1.11 CO[C@@H]1CNC[C@H]1O Z1982426537 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [0,1,0,1,0,0|1,0,0]=3 714 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.11 CSC1CCCC1N Z1203642543 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.11 C[C@@H]1CNC[C@H]1CO Z1955350046 [0,1,0,1,0,0|0,0,0]=2 717 B8R1.11 N#CC1CCCC1N Z985148518 [0,1,0,1,0,0|1,0,1]=4 718 B8R1.11 NCC1CCCC1N Z951173802 [0,1,0,1,0,0|1,0,0]=3 719 B8R1.11 NCC1CCCC1O Z409444212 [0,1,0,1,0,0|2,0,0]=4 720 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.11 N[C@@H]1COC[C@@H]1CO Z2568674574 [0,1,0,1,0,0|0,0,0]=2 723 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,1,0,1,0,0|1,0,0]=3 724 B8R1.11 OC[C@@H]1CNC[C@H]1F Z3069557183 [0,1,0,1,0,0|1,0,0]=3 725 B8R1.12 CO[C@@H]1CC[C@H]1CN Z4643457562 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.38 CC(CN)C1CCC1 Z4670691728 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.38 CC(CO)C1CCC1 Z1717769985 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.38 CCC(N)C1CCC1 Z2941715980 [0,1,0,1,0,0|1,0,0]=3 729 B8R1.38 CCC(O)C1CCC1 Z1255407680 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.38 NCC(N)C1CCC1 Z1925930579 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.38 NCC(O)C1CCC1 Z2238624890 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.39 CNC(C)C1(CC1)C Z1362754546 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.39 COC(C)C1(CC1)N Z5185499673 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.39 NC1(CC1)C(O)CO Z4280384138 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.39 NCC(O)C1(CC1)Cl Z4312159091 [0,1,0,1,0,0|2,0,0]=4 736 B8R1.50 CC1CCC(C1N)C Z1357774290 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.50 CC1CNC(C1C)C Z1203749866 [0,1,0,1,0,0|2,0,0]=4 738 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|0,0,1]=3 739 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,1,0,0|1,0,1]=4 740 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|1,0,1]=4 741 B8R1.28 CC(C)(CN)C1CC1 Z1203642380 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.28 CC(N)(CN)C1CC1 Z1266854972 [0,1,0,1,0,0|1,0,0]=3 743 B8R1.28 CC(O)(CN)C1CC1 Z419084898 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.28 CCC(C)(N)C1CC1 Z2525153713 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.28 NCC(F)(F)C1CC1 Z2418537141 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.63 CC(C)C1(CC1)C=O Z1511877281 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.63 CC(C)C1(CC1)CN Z1374884909 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.63 CC(N)C1(CC1)CO Z2509706150 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.63 CN(C)C1(CC1)CO Z2065464309 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.21 CC(C)(C)[C@@H]1C[C@H]1N Z3688622578 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.55 CC(C)(C)C1CNC1 Z2251842341 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.55 CC(C)(N)C1CCC1 Z2235810145 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.70 CC(F)(F)C1(CC1)N Z3334830417 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.16 CO[C@@H]1C(C[C@H]1O)N Z4766028345 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.33 C=CC(NC)C1CC1 Z4497756151 [0,1,0,1,0,0|1,0,1]=4 756 B8R1.33 CCC(NC)C1CC1 Z4663117878 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.33 NCC(CO)C1CC1 Z3013804042 [0,1,0,1,0,0|0,0,0]=2 758 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|1,0,1]=4 759 B8R2.2 C[C@@]12CNC[C@@H]1C2 Z2961068041 [0,0,0,2,0,0|2,0,0]=4 760 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,2,0,0|2,0,0]=4 761 B8R2.2 NC12CSCC1C2 Z5976232934 [0,0,0,2,0,0|0,1,0]=3 762 B8R2.2 N[C@@]12CCC[C@@H]1C2 Z2896162962 [0,0,0,2,0,0|1,0,0]=3 763 B8R2.2 N[C@@]12COC[C@@H]1C2 Z2755982948 [0,0,0,2,0,0|0,0,0]=2 764 B8R2.22 C1CC2CNC2C1 Z372839324 [0,0,0,2,0,0|1,0,0]=3 765 B8R2.22 C1C[C@@H]2[C@H]1CNC2 Z2310727771 [0,0,0,2,0,0|2,0,0]=4 766 B8R2.38 N[C@@H]1CC[C@H]2[C@@H]1C2 Z5104202649 [0,0,0,2,0,0|1,0,0]=3 767 B8R2.5 NC1CC2C1CC2 Z4081406539 [0,0,0,2,0,0|2,0,0]=4 768 B8R2.19 NC1CCC12CC2 Z3153432543 [0,0,0,2,0,0|1,0,0]=3 769 B8R2.26 N[C@@H]1C[C@H]1C2CC2 Z2298098021 [0,0,0,2,0,0|2,0,0]=4 770 B8R2.1 C1CC1C2CNC2 Z1618128010 [0,0,0,2,0,0|2,0,0]=4 771 B8R2.41 CC1(CO1)C2CC2 Z1020680042 [0,0,0,2,0,0|1,0,0]=3 772 B8R2.41 NC1(CC1)C2CC2 Z1428159348 [0,0,0,2,0,0|1,0,0]=3 773 B8R2.41 OC1(CC1)C2CC2 Z995000298 [0,0,0,2,0,0|2,0,0]=4 774 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [0,0,0,0,0,2|1,0,1]=4 775 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,0,0,0,0,2|0,0,0]=2 776 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,0,0,0,0,2|1,0,0]=3 777 B8R0.9 CC(C)COC(C)CO Z1896289316 [0,0,0,0,0,2|1,0,0]=3 778 B8R0.9 CC(C)NCC(O)CO Z385465736 [0,0,0,0,0,2|1,0,0]=3 779 B8R0.9 CC(O)CNC(C)CO Z600449192 [0,0,0,0,0,2|2,0,0]=4 780 B8R0.9 CCC(O)CCC(C)C Z838962512 [0,0,0,0,0,2|2,0,0]=4