0 B6R0.3 B(C(C)CC)(O)O TS85136 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 C#CC(C(=O)O)O TS31488 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C(#N)C(C(=O)N)N TS32775 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [0,0,0,0,0,0|1,1,2]=4 8 B6R0.3 C(C(C(=O)Cl)Br)Br TS62878 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 C(C(C(=O)Cl)Cl)Cl TS11458 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 C(C(C(=O)N)Br)Br TS24999 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 C(C(C(=O)N)Cl)Cl TS06630 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 C(C(C(=O)O)N)F TS31750 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 C(C(C(=O)O)N)N TS15412 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.3 C(C(C(=O)O)N)N TS55876 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 C(C(C(=O)O)N)O TS04070 [0,0,0,0,0,0|0,0,0]=0 19 B6R0.3 C(C(C(=O)O)N)O TS93662 [0,0,0,0,0,0|0,0,0]=0 20 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.3 C(C(C(=O)O)O)N TS55880 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 C(C(C(=O)O)O)O TS31726 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.3 C([C@@H](C(=O)N)N)O TS37447 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [0,0,0,0,0,0|1,0,0]=1 26 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [0,0,0,0,0,0|0,0,0]=0 29 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [0,0,0,0,0,0|0,1,0]=1 30 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [0,0,0,0,0,0|1,0,0]=1 33 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [0,0,0,0,0,0|1,0,0]=1 35 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [0,0,0,0,0,0|0,0,0]=0 36 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [0,0,0,0,0,0|0,1,0]=1 37 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.3 C=C(CBr)C(=O)O TS42841 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.3 C=CC(C(=O)O)N TS07917 [0,0,0,0,0,0|1,0,1]=2 40 B6R0.3 C=C[C@@H](C(=O)O)N TS31547 [0,0,0,0,0,0|1,0,1]=2 41 B6R0.3 C=C[C@H](C(=O)O)N TS31536 [0,0,0,0,0,0|1,0,1]=2 42 B6R0.3 CC(=NO)C(=O)C TS31543 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.3 CC(C(=O)C)SC TS32356 [0,0,0,0,0,0|4,0,0]=4 44 B6R0.3 CC(C(=O)O)NC TS31640 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.3 CC(C(CO)O)O TS04083 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.3 CC(C)C(CO)S TS32435 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.3 CC(C)[C@@H](CO)N TS56215 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.3 CC(C)[C@H](CO)N TS08466 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.3 CC(C=C)C(=O)O TS03843 [0,0,0,0,0,0|2,0,1]=3 50 B6R0.3 CC(CN)C(=O)O TS04859 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.3 CC(CN)C(=O)O TS31641 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.3 CC(CO)C(=O)C TS03953 [0,0,0,0,0,0|2,0,0]=2 53 B6R0.3 CC(CO)N(C)C TS04003 [0,0,0,0,0,0|4,0,0]=4 54 B6R0.3 CC(CO)[N+](=O)[O-] TS04065 [0,0,0,0,0,0|2,0,1]=3 55 B6R0.3 CC(CS)C(=O)O TS04823 [0,0,0,0,0,0|1,1,0]=2 56 B6R0.3 CC=C(C)C(=O)O TS03838 [0,0,0,0,0,0|2,0,2]=4 57 B6R0.3 CC=C(C)C(=O)O TS03840 [0,0,0,0,0,0|2,0,2]=4 58 B6R0.3 CCC(=O)C(=O)C TS03844 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.3 CCC(=O)C(=O)O TS31578 [0,0,0,0,0,0|2,0,1]=3 60 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [0,0,0,0,0,0|2,0,2]=4 61 B6R0.3 CCC(C(=C)C)O TS31517 [0,0,0,0,0,0|4,0,0]=4 62 B6R0.3 CCC(C(=O)Br)Br TS52915 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.3 CCC(C(=O)C)S TS32355 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.3 CCC(C(=O)Cl)Br TS48787 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [0,0,0,0,0,0|3,0,0]=3 66 B6R0.3 CCC(C(=O)N)Cl TS04875 [0,0,0,0,0,0|3,0,0]=3 67 B6R0.3 CCC(C(=O)N)N TS93870 [0,0,0,0,0,0|2,0,0]=2 68 B6R0.3 CCC(C(=O)N)N TS94086 [0,0,0,0,0,0|2,0,0]=2 69 B6R0.3 CCC(C(=O)O)Br TS12329 [0,0,0,0,0,0|2,0,0]=2 70 B6R0.3 CCC(C(=O)O)Cl TS04940 [0,0,0,0,0,0|2,0,0]=2 71 B6R0.3 CCC(C(=O)O)N TS45781 [0,0,0,0,0,0|1,0,0]=1 72 B6R0.3 CCC(C(=O)O)N TS47470 [0,0,0,0,0,0|1,0,0]=1 73 B6R0.3 CCC(C(=O)O)O TS31670 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.3 CCC(C(=O)[O-])O TS05131 [0,0,0,0,0,0|2,0,1]=3 75 B6R0.3 CCC(C)C(=O)C TS31518 [0,0,0,0,0,0|3,0,0]=3 76 B6R0.3 CCC(C)C(=O)Cl TS04836 [0,0,0,0,0,0|3,0,0]=3 77 B6R0.3 CCC(C)C(=O)O TS03945 [0,0,0,0,0,0|2,0,0]=2 78 B6R0.3 CCC(C)C(C)O TS03961 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.3 CCC([N+](=O)[O-])Cl TS04986 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.3 CCN(C)C(=O)Cl TS56394 [0,0,0,0,0,0|4,0,0]=4 81 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [0,0,0,0,0,0|2,0,0]=2 82 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [0,0,0,0,0,0|1,0,0]=1 83 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [0,0,0,0,0,0|2,0,0]=2 84 B6R0.3 CC[C@H](C(=O)N)N TS93011 [0,0,0,0,0,0|2,0,0]=2 85 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [0,0,0,0,0,0|2,0,0]=2 86 B6R0.3 CC[C@H](C(=O)O)N TS64880 [0,0,0,0,0,0|1,0,0]=1 87 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [0,0,0,0,0,0|3,0,0]=3 88 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [0,0,0,0,0,0|3,0,0]=3 89 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [0,0,0,0,0,0|3,0,0]=3 90 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [0,0,0,0,0,0|1,0,0]=1 91 B6R0.3 C[C@@H]([C@H](CO)N)O TS33038 [0,0,0,0,0,0|1,0,1]=2 92 B6R0.3 C[C@H](C(=O)N)OC TS31644 [0,0,0,0,0,0|4,0,0]=4 93 B6R0.3 C[C@H](CCl)C(=O)Cl TS06547 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.3 C[C@H](CO)C(=O)O TS31672 [0,0,0,0,0,0|1,0,0]=1 95 B6R0.3 C[C@H]([C@@H](CO)N)O TS07680 [0,0,0,0,0,0|1,0,1]=2 96 B5R0.1 B(CCC)(O)O TS59317 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 C#CCC(=O)O TS03477 [1,0,0,0,0,0|1,0,1]=3 98 B5R0.1 C(=CCl)C(=O)O TS31733 [1,0,0,0,0,0|1,0,2]=4 99 B5R0.1 C(=CCl)C(=O)O TS59459 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.1 C(=CI)C(=O)O TS53940 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.1 C(C#N)C(=O)N TS00078 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 C(C#N)C(=O)O TS71730 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.1 C(CBr)C(=N)N TS40973 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.1 C(CBr)C(=O)N TS10109 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 C(CBr)C(=O)O TS09493 [1,0,0,0,0,0|1,0,0]=2 106 B5R0.1 C(CCl)C(=O)Cl TS00146 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.1 C(CCl)C(=O)N TS04118 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 C(CCl)C(=O)O TS04159 [1,0,0,0,0,0|1,0,0]=2 109 B5R0.1 C(CI)C(=O)O TS18918 [1,0,0,0,0,0|1,0,0]=2 110 B5R0.1 C(CN)C(=O)N TS36032 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.1 C(CN)C(=O)O TS02667 [1,0,0,0,0,0|1,0,0]=2 112 B5R0.1 C(CO)C(=O)O TS16373 [1,0,0,0,0,0|0,0,0]=1 113 B5R0.1 C(CO)[N+](=O)[O-] TS01787 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.1 C(CP(=O)O)N TS94065 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.1 C(CS(=O)O)N TS31804 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.1 C(CS)C(=O)O TS04091 [1,0,0,0,0,0|0,1,0]=2 117 B5R0.1 C(OC(=O)Cl)Cl TS36381 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.1 C(SC(=O)N)Cl TS36084 [1,0,0,0,0,0|3,0,0]=4 119 B5R0.1 C=C(CCO)Br TS40970 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.1 C=CCC(=O)O TS03525 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.1 C=CCP(=O)O TS31725 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.1 CC#CC(=O)O TS55183 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.1 CC(=C)CCO TS71766 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.1 CC(=CCO)C TS71763 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 CC(=CCO)Cl TS31734 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.1 CC(=O)C=NO TS03554 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.1 CC(=O)CC#N TS04063 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 CC(=O)CCO TS39752 [1,0,0,0,0,0|1,0,0]=2 129 B5R0.1 CC(=O)CCS TS31678 [1,0,0,0,0,0|1,1,0]=3 130 B5R0.1 CC(=O)COC TS03573 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.1 CC(=O)CSC TS31685 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.1 CC(=O)NCO TS08902 [1,0,0,0,0,0|2,0,0]=3 133 B5R0.1 CC(=O)OCBr TS16534 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.1 CC(=O)OCCl TS55809 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.1 CC(C)CCO TS71804 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.1 CC(CCN)O TS02231 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 CC(CCO)N TS60329 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.1 CC(CCO)O TS71832 [1,0,0,0,0,0|1,0,1]=3 139 B5R0.1 CC=CC(=O)O TS03526 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.1 CCCC(=C)C TS71722 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.1 CCCC(=N)N TS03542 [1,0,0,0,0,0|3,0,0]=4 142 B5R0.1 CCCC(=N)N TS04952 [1,0,0,0,0,0|3,0,0]=4 143 B5R0.1 CCCC(=O)Br TS40964 [1,0,0,0,0,0|2,0,0]=3 144 B5R0.1 CCCC(=O)C TS71754 [1,0,0,0,0,0|2,0,0]=3 145 B5R0.1 CCCC(=O)Cl TS16539 [1,0,0,0,0,0|2,0,0]=3 146 B5R0.1 CCCC(=O)N TS03561 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.1 CCCC(=O)O TS03572 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.1 CCCC(=O)O TS63934 [1,0,0,0,0,0|1,0,0]=2 149 B5R0.1 CCCC(=O)[O-] TS04184 [1,0,0,0,0,0|1,0,1]=3 150 B5R0.1 CCCC(=O)[O-] TS04232 [1,0,0,0,0,0|1,0,1]=3 151 B5R0.1 CCCC(=O)[O-] TS44539 [1,0,0,0,0,0|1,0,1]=3 152 B5R0.1 CCCC(=S)Cl TS37257 [1,0,0,0,0,0|2,1,0]=4 153 B5R0.1 CCCC(=S)O TS04825 [1,0,0,0,0,0|1,1,0]=3 154 B5R0.1 CCCC(C)O TS03596 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.1 CCC[C@@H](C)O TS71801 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.1 CCC[C@H](C)O TS71800 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.1 CCC[N+](=O)[O-] TS71821 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.1 CCNC(=O)C TS03563 [1,0,0,0,0,0|3,0,0]=4 159 B5R0.1 CCNC(=O)N TS03591 [1,0,0,0,0,0|3,0,0]=4 160 B5R0.1 CCOC(=O)C TS03585 [1,0,0,0,0,0|3,0,0]=4 161 B5R0.1 CCOC(=O)C TS03625 [1,0,0,0,0,0|3,0,0]=4 162 B5R0.1 CCOC(=O)C TS71827 [1,0,0,0,0,0|3,0,0]=4 163 B5R0.1 CCOC(=O)Cl TS56143 [1,0,0,0,0,0|3,0,0]=4 164 B5R0.1 CCOC(=O)N TS59479 [1,0,0,0,0,0|3,0,0]=4 165 B5R0.1 CN(C)CCO TS03600 [1,0,0,0,0,0|3,0,0]=4 166 B5R0.1 CNCC(=O)N TS36031 [1,0,0,0,0,0|3,0,0]=4 167 B5R0.1 CNCC(=O)O TS34582 [1,0,0,0,0,0|2,0,0]=3 168 B5R0.1 CNCC(=O)O TS36080 [1,0,0,0,0,0|2,0,0]=3 169 B5R0.1 CNCC(=O)[O-] TS04231 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.1 COCC(=O)O TS03620 [1,0,0,0,0,0|2,0,0]=3 171 B5R0.1 CSCC(=O)N TS93570 [1,0,0,0,0,0|3,0,0]=4 172 B5R0.1 C[C@@H](CCO)O TS71843 [1,0,0,0,0,0|1,0,1]=3 173 B5R0.1 C[C@H](CCO)N TS93947 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.1 C[C@H](CCO)O TS71835 [1,0,0,0,0,0|1,0,1]=3 175 B5R0.3 C(=O)C(C=O)Br TS00849 [1,0,0,0,0,0|1,0,2]=4 176 B5R0.3 C(=O)C(C=O)Cl TS31730 [1,0,0,0,0,0|1,0,2]=4 177 B5R0.3 C(=O)C(C=O)F TS03615 [1,0,0,0,0,0|1,0,2]=4 178 B5R0.3 C(C(=CBr)Br)O TS21960 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.3 C(C(=O)CO)O TS46803 [1,0,0,0,0,0|1,0,2]=4 180 B5R0.3 C(C(C=O)O)O TS47844 [1,0,0,0,0,0|1,0,0]=2 181 B5R0.3 C(C(CBr)Br)O TS22312 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.3 C(C(CBr)O)O TS10534 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.3 C(C(CCl)Cl)O TS36383 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.3 C(C(CCl)O)O TS08669 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.3 C(C(CO)N)O TS65262 [1,0,0,0,0,0|0,0,1]=2 186 B5R0.3 C(C(CO)N)O TS65263 [1,0,0,0,0,0|0,0,1]=2 187 B5R0.3 C(C(CO)N)O TS74211 [1,0,0,0,0,0|0,0,1]=2 188 B5R0.3 C(C(CO)O)N TS39698 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.3 C(C(CO)O)O TS03653 [1,0,0,0,0,0|1,0,1]=3 190 B5R0.3 C(C(CO)O)O TS64624 [1,0,0,0,0,0|1,0,1]=3 191 B5R0.3 C(C(CO)O)O TS93602 [1,0,0,0,0,0|1,0,1]=3 192 B5R0.3 C(C(CS)O)O TS31781 [1,0,0,0,0,0|1,1,1]=4 193 B5R0.3 C(C(CS)S)O TS47162 [1,0,0,0,0,0|1,1,1]=4 194 B5R0.3 C([C@@H](C=O)O)O TS03618 [1,0,0,0,0,0|1,0,0]=2 195 B5R0.3 C([C@@H](C=O)O)O TS08118 [1,0,0,0,0,0|1,0,0]=2 196 B5R0.3 C([C@@H](CBr)O)O TS10532 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.3 C([C@@H](CCl)O)O TS59492 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.3 C([C@@H](CO)O)N TS05290 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.3 C([C@@H](CO)O)N TS08134 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.3 C([C@H](C=O)O)O TS07853 [1,0,0,0,0,0|1,0,0]=2 201 B5R0.3 C([C@H](CBr)O)O TS10533 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.3 C([C@H](CO)O)N TS08079 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.3 C=C(CO)CO TS65602 [1,0,0,0,0,0|1,0,2]=4 204 B5R0.3 C=CC(CBr)O TS40965 [1,0,0,0,0,0|3,0,0]=4 205 B5R0.3 C=CC(CO)O TS03577 [1,0,0,0,0,0|2,0,0]=3 206 B5R0.3 C=C[C@@H](CO)N TS04992 [1,0,0,0,0,0|1,0,0]=2 207 B5R0.3 C=C[C@@H](CO)O TS03582 [1,0,0,0,0,0|2,0,0]=3 208 B5R0.3 C=C[C@H](CO)N TS04990 [1,0,0,0,0,0|1,0,0]=2 209 B5R0.3 C=C[C@H](CO)O TS03583 [1,0,0,0,0,0|2,0,0]=3 210 B5R0.3 CC(CO)C=C TS71745 [1,0,0,0,0,0|2,0,0]=3 211 B5R0.3 CC(CO)CO TS71833 [1,0,0,0,0,0|1,0,1]=3 212 B5R0.3 CC=C(CO)Br TS40966 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.3 CCC(=O)C=O TS03524 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.3 CCC(C)C=O TS03536 [1,0,0,0,0,0|2,0,0]=3 215 B5R0.3 CCC(C)CO TS03593 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.3 CCC(C=C)O TS71760 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.3 CCC(CC)N TS00440 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.3 CCC(CN)N TS71807 [1,0,0,0,0,0|2,0,1]=4 219 B5R0.3 CCC(CO)N TS03601 [1,0,0,0,0,0|1,0,1]=3 220 B5R0.3 CC[C@@H](CO)O TS71836 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.3 CC[C@H](CO)N TS03605 [1,0,0,0,0,0|1,0,1]=3 222 B5R0.3 CC[C@H](CO)O TS71838 [1,0,0,0,0,0|2,0,1]=4 223 B5R0.3 C[C@@H](CO)CBr TS10268 [1,0,0,0,0,0|2,0,1]=4 224 B5R0.3 C[C@H](CO)CBr TS10271 [1,0,0,0,0,0|2,0,1]=4 225 B5R0.5 B(C(C)C)(O)O TS56191 [1,0,0,0,0,0|2,0,1]=4 226 B5R0.5 C(=N)(N)S(=O)O TS31766 [1,0,0,0,0,0|2,0,1]=4 227 B5R0.5 C(=O)(C(=O)N)N TS03568 [1,0,0,0,0,0|1,0,2]=4 228 B5R0.5 C(=O)(C(=O)O)N TS01624 [1,0,0,0,0,0|0,0,2]=3 229 B5R0.5 C(=O)(C(=O)O)O TS03614 [1,0,0,0,0,0|1,0,1]=3 230 B5R0.5 C(=O)(C(=O)O)O TS07631 [1,0,0,0,0,0|1,0,1]=3 231 B5R0.5 C(=O)(C(=O)O)O TS11826 [1,0,0,0,0,0|1,0,1]=3 232 B5R0.5 C(=O)(C(=O)O)O TS40816 [1,0,0,0,0,0|1,0,1]=3 233 B5R0.5 C(=O)(C(=O)O)O TS63351 [1,0,0,0,0,0|1,0,1]=3 234 B5R0.5 C(=O)(C(=O)[O-])N TS04229 [1,0,0,0,0,0|0,0,3]=4 235 B5R0.5 C(=O)(C(=O)[O-])N TS36215 [1,0,0,0,0,0|0,0,3]=4 236 B5R0.5 C(=O)(C(=O)[O-])O TS05512 [1,0,0,0,0,0|1,0,2]=4 237 B5R0.5 C(=O)(C(=O)[O-])O TS36266 [1,0,0,0,0,0|1,0,2]=4 238 B5R0.5 C(C(=O)Cl)(Cl)Cl TS07381 [1,0,0,0,0,0|3,0,0]=4 239 B5R0.5 C(C(=O)Cl)(F)Cl TS36580 [1,0,0,0,0,0|3,0,0]=4 240 B5R0.5 C(C(=O)Cl)(F)F TS32127 [1,0,0,0,0,0|3,0,0]=4 241 B5R0.5 C(C(=O)F)(Cl)Cl TS36581 [1,0,0,0,0,0|3,0,0]=4 242 B5R0.5 C(C(=O)F)(F)Cl TS32128 [1,0,0,0,0,0|3,0,0]=4 243 B5R0.5 C(C(=O)F)(F)F TS31418 [1,0,0,0,0,0|3,0,0]=4 244 B5R0.5 C(C(=O)N)(Cl)Cl TS05298 [1,0,0,0,0,0|3,0,0]=4 245 B5R0.5 C(C(=O)N)(F)Br TS41564 [1,0,0,0,0,0|3,0,0]=4 246 B5R0.5 C(C(=O)N)(F)Cl TS31896 [1,0,0,0,0,0|3,0,0]=4 247 B5R0.5 C(C(=O)N)(F)F TS03689 [1,0,0,0,0,0|3,0,0]=4 248 B5R0.5 C(C(=O)N)(F)I TS38361 [1,0,0,0,0,0|3,0,0]=4 249 B5R0.5 C(C(=O)O)(Br)Br TS22308 [1,0,0,0,0,0|2,0,0]=3 250 B5R0.5 C(C(=O)O)(Cl)Br TS45685 [1,0,0,0,0,0|2,0,0]=3 251 B5R0.5 C(C(=O)O)(F)Cl TS31986 [1,0,0,0,0,0|2,0,0]=3 252 B5R0.5 C(C(=O)O)(F)F TS01438 [1,0,0,0,0,0|2,0,0]=3 253 B5R0.5 C(C(=O)[O-])(Cl)Cl TS55848 [1,0,0,0,0,0|2,0,1]=4 254 B5R0.5 C(C(=O)[O-])(F)Br TS14323 [1,0,0,0,0,0|2,0,1]=4 255 B5R0.5 C(C(=O)[O-])(F)Cl TS05935 [1,0,0,0,0,0|2,0,1]=4 256 B5R0.5 C(C(=O)[O-])(F)F TS31570 [1,0,0,0,0,0|2,0,1]=4 257 B5R0.5 C=C(C(=O)O)Br TS40957 [1,0,0,0,0,0|1,0,2]=4 258 B5R0.5 C=C(C(=O)O)Cl TS31732 [1,0,0,0,0,0|1,0,2]=4 259 B5R0.5 C=C(C(=O)O)F TS03616 [1,0,0,0,0,0|1,0,2]=4 260 B5R0.5 CC(=C)C(=O)C TS03485 [1,0,0,0,0,0|2,0,1]=4 261 B5R0.5 CC(=C)C(=O)Cl TS56226 [1,0,0,0,0,0|2,0,1]=4 262 B5R0.5 CC(=C)C(=O)F TS03570 [1,0,0,0,0,0|2,0,1]=4 263 B5R0.5 CC(=C)C(=O)N TS71737 [1,0,0,0,0,0|2,0,1]=4 264 B5R0.5 CC(=C)C(=O)O TS56224 [1,0,0,0,0,0|1,0,1]=3 265 B5R0.5 CC(=C)C(=O)[O-] TS03649 [1,0,0,0,0,0|1,0,2]=4 266 B5R0.5 CC(=C)C(=O)[O-] TS04134 [1,0,0,0,0,0|1,0,2]=4 267 B5R0.5 CC(=C)C(=O)[O-] TS17588 [1,0,0,0,0,0|1,0,2]=4 268 B5R0.5 CC(=C)C(=O)[O-] TS17954 [1,0,0,0,0,0|1,0,2]=4 269 B5R0.5 CC(=C)C(=O)[O-] TS20934 [1,0,0,0,0,0|1,0,2]=4 270 B5R0.5 CC(=C)C(=O)[O-] TS25799 [1,0,0,0,0,0|1,0,2]=4 271 B5R0.5 CC(=C)C(=O)[O-] TS35997 [1,0,0,0,0,0|1,0,2]=4 272 B5R0.5 CC(=C)C(=O)[O-] TS45223 [1,0,0,0,0,0|1,0,2]=4 273 B5R0.5 CC(=C)C(=O)[O-] TS60851 [1,0,0,0,0,0|1,0,2]=4 274 B5R0.5 CC(=C)C(=O)[O-] TS67081 [1,0,0,0,0,0|1,0,2]=4 275 B5R0.5 CC(=C)C(=O)[O-] TS68528 [1,0,0,0,0,0|1,0,2]=4 276 B5R0.5 CC(=C)C(=O)[O-] TS70135 [1,0,0,0,0,0|1,0,2]=4 277 B5R0.5 CC(=C)C(=O)[O-] TS78671 [1,0,0,0,0,0|1,0,2]=4 278 B5R0.5 CC(=O)C(=O)C TS03530 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.5 CC(=O)C(=O)O TS71795 [1,0,0,0,0,0|1,0,1]=3 280 B5R0.5 CC(=O)C(=O)[O-] TS04176 [1,0,0,0,0,0|1,0,2]=4 281 B5R0.5 CC(=O)C(=O)[O-] TS36114 [1,0,0,0,0,0|1,0,2]=4 282 B5R0.5 CC(=O)C(=O)[O-] TS44476 [1,0,0,0,0,0|1,0,2]=4 283 B5R0.5 CC(=O)C(=O)[O-] TS71885 [1,0,0,0,0,0|1,0,2]=4 284 B5R0.5 CC(=O)C(Cl)Cl TS36198 [1,0,0,0,0,0|3,0,0]=4 285 B5R0.5 CC(=O)C(F)F TS03662 [1,0,0,0,0,0|3,0,0]=4 286 B5R0.5 CC(=O)C(O)O TS46028 [1,0,0,0,0,0|2,0,0]=3 287 B5R0.5 CC(=O)N(C)C TS03557 [1,0,0,0,0,0|3,0,0]=4 288 B5R0.5 CC(C(=C)C)O TS71758 [1,0,0,0,0,0|3,0,0]=4 289 B5R0.5 CC(C(=O)Br)Br TS93904 [1,0,0,0,0,0|2,0,0]=3 290 B5R0.5 CC(C(=O)C)Br TS40972 [1,0,0,0,0,0|2,0,0]=3 291 B5R0.5 CC(C(=O)C)Cl TS31738 [1,0,0,0,0,0|2,0,0]=3 292 B5R0.5 CC(C(=O)C)F TS71828 [1,0,0,0,0,0|2,0,0]=3 293 B5R0.5 CC(C(=O)C)O TS03581 [1,0,0,0,0,0|2,0,0]=3 294 B5R0.5 CC(C(=O)C)S TS60015 [1,0,0,0,0,0|2,0,0]=3 295 B5R0.5 CC(C(=O)Cl)Br TS45375 [1,0,0,0,0,0|2,0,0]=3 296 B5R0.5 CC(C(=O)Cl)Cl TS36199 [1,0,0,0,0,0|2,0,0]=3 297 B5R0.5 CC(C(=O)N)Br TS10108 [1,0,0,0,0,0|2,0,0]=3 298 B5R0.5 CC(C(=O)N)Cl TS04116 [1,0,0,0,0,0|2,0,0]=3 299 B5R0.5 CC(C(=O)N)O TS71825 [1,0,0,0,0,0|2,0,0]=3 300 B5R0.5 CC(C(=O)O)Br TS10263 [1,0,0,0,0,0|1,0,0]=2 301 B5R0.5 CC(C(=O)O)Br TS41327 [1,0,0,0,0,0|1,0,0]=2 302 B5R0.5 CC(C(=O)O)Cl TS04158 [1,0,0,0,0,0|1,0,0]=2 303 B5R0.5 CC(C(=O)O)F TS02005 [1,0,0,0,0,0|1,0,0]=2 304 B5R0.5 CC(C(=O)O)N TS71826 [1,0,0,0,0,0|0,0,0]=1 305 B5R0.5 CC(C(=O)O)O TS03619 [1,0,0,0,0,0|1,0,0]=2 306 B5R0.5 CC(C(=O)O)O TS69796 [1,0,0,0,0,0|1,0,0]=2 307 B5R0.5 CC(C(=O)O)S TS04090 [1,0,0,0,0,0|1,0,0]=2 308 B5R0.5 CC(C(=O)[O-])O TS04267 [1,0,0,0,0,0|1,0,1]=3 309 B5R0.5 CC(C(=O)[O-])O TS21805 [1,0,0,0,0,0|1,0,1]=3 310 B5R0.5 CC(C(=O)[O-])O TS25875 [1,0,0,0,0,0|1,0,1]=3 311 B5R0.5 CC(C(=O)[O-])O TS49421 [1,0,0,0,0,0|1,0,1]=3 312 B5R0.5 CC(C(=O)[O-])O TS53785 [1,0,0,0,0,0|1,0,1]=3 313 B5R0.5 CC(C(=O)[O-])O TS60724 [1,0,0,0,0,0|1,0,1]=3 314 B5R0.5 CC(C(=O)[O-])O TS67922 [1,0,0,0,0,0|1,0,1]=3 315 B5R0.5 CC(C(=O)[O-])O TS82339 [1,0,0,0,0,0|1,0,1]=3 316 B5R0.5 CC(C(=O)[O-])O TS93633 [1,0,0,0,0,0|1,0,1]=3 317 B5R0.5 CC(C(=O)[O-])O TS94684 [1,0,0,0,0,0|1,0,1]=3 318 B5R0.5 CC(C(=O)[O-])O TS94690 [1,0,0,0,0,0|1,0,1]=3 319 B5R0.5 CC(C(C)O)O TS71844 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.5 CC(C(C)S)O TS04106 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.5 CC(C)C(=C)C TS71720 [1,0,0,0,0,0|3,0,0]=4 322 B5R0.5 CC(C)C(=N)N TS03540 [1,0,0,0,0,0|3,0,0]=4 323 B5R0.5 CC(C)C(=N)N TS32540 [1,0,0,0,0,0|3,0,0]=4 324 B5R0.5 CC(C)C(=O)Br TS40967 [1,0,0,0,0,0|2,0,0]=3 325 B5R0.5 CC(C)C(=O)C TS39716 [1,0,0,0,0,0|2,0,0]=3 326 B5R0.5 CC(C)C(=O)Cl TS31739 [1,0,0,0,0,0|2,0,0]=3 327 B5R0.5 CC(C)C(=O)F TS71829 [1,0,0,0,0,0|2,0,0]=3 328 B5R0.5 CC(C)C(=O)N TS01506 [1,0,0,0,0,0|2,0,0]=3 329 B5R0.5 CC(C)C(=O)O TS85221 [1,0,0,0,0,0|1,0,0]=2 330 B5R0.5 CC(C)C(=O)[O-] TS03660 [1,0,0,0,0,0|1,0,1]=3 331 B5R0.5 CC(C)C(=O)[O-] TS04185 [1,0,0,0,0,0|1,0,1]=3 332 B5R0.5 CC(C)C(=O)[O-] TS36146 [1,0,0,0,0,0|1,0,1]=3 333 B5R0.5 CC(C)C(=O)[O-] TS44540 [1,0,0,0,0,0|1,0,1]=3 334 B5R0.5 CC(C)C(C)N TS71776 [1,0,0,0,0,0|2,0,1]=4 335 B5R0.5 CC(C)C(C)O TS03594 [1,0,0,0,0,0|2,0,1]=4 336 B5R0.5 CC(C)[N+](=O)[O-] TS00110 [1,0,0,0,0,0|2,0,1]=4 337 B5R0.5 CN(C(=S)N)N TS31710 [1,0,0,0,0,0|2,1,0]=4 338 B5R0.5 CN(C)C(=O)Cl TS04117 [1,0,0,0,0,0|3,0,0]=4 339 B5R0.5 CN(C)C(=O)N TS03592 [1,0,0,0,0,0|3,0,0]=4 340 B5R0.5 CN(C)C(=O)O TS05907 [1,0,0,0,0,0|2,0,0]=3 341 B5R0.5 C[C@@H](C(=O)N)N TS01517 [1,0,0,0,0,0|1,0,0]=2 342 B5R0.5 C[C@@H](C(=O)N)N TS03590 [1,0,0,0,0,0|1,0,0]=2 343 B5R0.5 C[C@@H](C(=O)N)O TS59860 [1,0,0,0,0,0|2,0,0]=3 344 B5R0.5 C[C@@H](C(=O)O)Br TS10265 [1,0,0,0,0,0|1,0,0]=2 345 B5R0.5 C[C@@H](C(=O)O)Cl TS47157 [1,0,0,0,0,0|1,0,0]=2 346 B5R0.5 C[C@@H](C(=O)O)N TS01516 [1,0,0,0,0,0|0,0,0]=1 347 B5R0.5 C[C@@H](C(=O)O)N TS03624 [1,0,0,0,0,0|0,0,0]=1 348 B5R0.5 C[C@@H](C(=O)O)O TS39672 [1,0,0,0,0,0|1,0,0]=2 349 B5R0.5 C[C@@H](C(=O)[O-])O TS04266 [1,0,0,0,0,0|1,0,1]=3 350 B5R0.5 C[C@@H](C(=O)[O-])O TS05332 [1,0,0,0,0,0|1,0,1]=3 351 B5R0.5 C[C@@H](C(=O)[O-])O TS28972 [1,0,0,0,0,0|1,0,1]=3 352 B5R0.5 C[C@@H](C(C)C)N TS71787 [1,0,0,0,0,0|2,0,1]=4 353 B5R0.5 C[C@@H]([C@H](C)O)O TS85107 [1,0,0,0,0,0|2,0,1]=4 354 B5R0.5 C[C@H](C(=O)Cl)Cl TS94778 [1,0,0,0,0,0|2,0,0]=3 355 B5R0.5 C[C@H](C(=O)N)N TS46606 [1,0,0,0,0,0|1,0,0]=2 356 B5R0.5 C[C@H](C(=O)N)N TS60179 [1,0,0,0,0,0|1,0,0]=2 357 B5R0.5 C[C@H](C(=O)N)O TS71820 [1,0,0,0,0,0|2,0,0]=3 358 B5R0.5 C[C@H](C(=O)O)Br TS10264 [1,0,0,0,0,0|1,0,0]=2 359 B5R0.5 C[C@H](C(=O)O)O TS03621 [1,0,0,0,0,0|1,0,0]=2 360 B5R0.5 C[C@H](C(=O)[O-])O TS03708 [1,0,0,0,0,0|1,0,1]=3 361 B5R0.5 C[C@H](C(C)C)N TS71786 [1,0,0,0,0,0|2,0,1]=4 362 B5R0.5 C[C@H]([C@@H](C)O)O TS85106 [1,0,0,0,0,0|2,0,1]=4 363 B5R0.5 C[C@H]([C@H](C)O)O TS71842 [1,0,0,0,0,0|2,0,1]=4 364 B7R0.5 C#CCC(C(=O)O)N TS04373 [0,1,0,0,0,0|1,0,0]=2 365 B7R0.5 C#CC[C@H](C(=O)O)N TS04370 [0,1,0,0,0,0|1,0,0]=2 366 B7R0.5 C(C#N)[C@@H](C(=O)O)N TS32049 [0,1,0,0,0,0|1,0,0]=2 367 B7R0.5 C(C=O)C(C(=O)O)N TS32274 [0,1,0,0,0,0|0,0,1]=2 368 B7R0.5 C(CBr)C(C(=O)O)Br TS27394 [0,1,0,0,0,0|2,0,0]=3 369 B7R0.5 C(CBr)[C@@H](C(=O)O)N TS68673 [0,1,0,0,0,0|1,0,0]=2 370 B7R0.5 C(CN)C(C(=O)O)N TS32337 [0,1,0,0,0,0|1,0,0]=2 371 B7R0.5 C(CN)C(C(=O)O)N TS51238 [0,1,0,0,0,0|1,0,0]=2 372 B7R0.5 C(CN)C(C(=O)O)O TS02964 [0,1,0,0,0,0|2,0,0]=3 373 B7R0.5 C(CN)[C@@H](C(=O)O)N TS01514 [0,1,0,0,0,0|1,0,0]=2 374 B7R0.5 C(CN)[C@@H](C(=O)O)N TS54154 [0,1,0,0,0,0|1,0,0]=2 375 B7R0.5 C(CN)[C@@H](C(=O)O)O TS46625 [0,1,0,0,0,0|2,0,0]=3 376 B7R0.5 C(CN)[C@H](C(=O)O)F TS04856 [0,1,0,0,0,0|2,0,0]=3 377 B7R0.5 C(CN)[C@H](C(=O)O)N TS04719 [0,1,0,0,0,0|1,0,0]=2 378 B7R0.5 C(CN)[C@H](C(=O)O)N TS51237 [0,1,0,0,0,0|1,0,0]=2 379 B7R0.5 C(CO)C(C(=O)O)N TS32380 [0,1,0,0,0,0|0,0,0]=1 380 B7R0.5 C(CO)[C@@H](C(=O)O)N TS01524 [0,1,0,0,0,0|0,0,0]=1 381 B7R0.5 C(CO)[C@@H](C(=O)O)N TS59867 [0,1,0,0,0,0|0,0,0]=1 382 B7R0.5 C(CO)[C@@H](C(=O)O)O TS32406 [0,1,0,0,0,0|1,0,0]=2 383 B7R0.5 C(CO)[C@H](C(=O)O)N TS01423 [0,1,0,0,0,0|0,0,0]=1 384 B7R0.5 C(CS)C(C(=O)O)N TS05996 [0,1,0,0,0,0|0,1,0]=2 385 B7R0.5 C(CS)[C@@H](C(=O)O)N TS05998 [0,1,0,0,0,0|0,1,0]=2 386 B7R0.5 C(CS)[C@H](C(=O)O)N TS05994 [0,1,0,0,0,0|0,1,0]=2 387 B7R0.5 C=CCC(C(=O)O)N TS22958 [0,1,0,0,0,0|1,0,0]=2 388 B7R0.5 C=CC[C@@H](C(=O)O)N TS59542 [0,1,0,0,0,0|1,0,0]=2 389 B7R0.5 C=CC[C@H](C(=O)O)N TS01416 [0,1,0,0,0,0|1,0,0]=2 390 B7R0.5 C=CC[C@H](C(=O)O)N TS41064 [0,1,0,0,0,0|1,0,0]=2 391 B7R0.5 CC(C(=O)O)NC=O TS32276 [0,1,0,0,0,0|1,0,2]=4 392 B7R0.5 CC(CC=C)C(=O)O TS04437 [0,1,0,0,0,0|2,0,0]=3 393 B7R0.5 CCC=C(C)C(=O)O TS04448 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.5 CCCC(=O)C(=O)O TS32183 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.5 CCCC(C(=O)Cl)Br TS18873 [0,1,0,0,0,0|3,0,0]=4 396 B7R0.5 CCCC(C(=O)O)Br TS14719 [0,1,0,0,0,0|2,0,0]=3 397 B7R0.5 CCCC(C(=O)O)N TS04663 [0,1,0,0,0,0|1,0,0]=2 398 B7R0.5 CCCC(C(=O)[O-])O TS06422 [0,1,0,0,0,0|2,0,1]=4 399 B7R0.5 CCCC(C)C(=O)C TS04464 [0,1,0,0,0,0|3,0,0]=4 400 B7R0.5 CCCC(C)C(=O)Cl TS05952 [0,1,0,0,0,0|3,0,0]=4 401 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [0,1,0,0,0,0|2,0,0]=3 402 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [0,1,0,0,0,0|1,0,0]=2 403 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [0,1,0,0,0,0|1,0,0]=2 404 B7R0.5 CNC[C@@H](C(=O)O)N TS32335 [0,1,0,0,0,0|1,0,0]=2 405 B7R0.5 CNC[C@H](C(=O)O)N TS32332 [0,1,0,0,0,0|1,0,0]=2 406 B7R0.5 COCC(C(=O)O)Cl TS55196 [0,1,0,0,0,0|1,0,0]=2 407 B7R0.5 COCC(C(=O)O)N TS32379 [0,1,0,0,0,0|0,0,0]=1 408 B7R0.5 COC[C@@H](C(=O)O)N TS32377 [0,1,0,0,0,0|0,0,0]=1 409 B7R0.5 COC[C@@H](C(=O)O)N TS41554 [0,1,0,0,0,0|0,0,0]=1 410 B7R0.5 COC[C@H](C(=O)O)N TS59337 [0,1,0,0,0,0|0,0,0]=1 411 B7R0.5 CSC[C@@H](C(=O)O)N TS01687 [0,1,0,0,0,0|0,1,0]=2 412 B7R0.5 C[C@@H](C(=O)O)NC=O TS32273 [0,1,0,0,0,0|1,0,2]=4 413 B7R0.5 [2H]CN[C@@H](C)C(=O)O TS31638 [0,1,0,0,0,0|2,0,0]=3 414 B7R0.10 C(=NO)(C(=NO)N)N TS04705 [0,1,0,0,0,0|2,0,1]=4 415 B7R0.10 C(C(=C(CO)Br)Br)O TS27399 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.10 C(C(C(=O)NN)N)O TS10625 [0,1,0,0,0,0|1,0,0]=2 417 B7R0.10 C(C(C(CO)Br)Br)O TS85188 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.10 C([C@@H](C(=O)NO)N)Cl TS37249 [0,1,0,0,0,0|1,0,0]=2 419 B7R0.10 C([C@@H]([C@@H](C=O)O)O)O TS32410 [0,1,0,0,0,0|1,0,1]=3 420 B7R0.10 C([C@@H]([C@H](CO)O)O)O TS32487 [0,1,0,0,0,0|1,0,2]=4 421 B7R0.10 C([C@H]([C@@H](C=O)O)O)O TS32408 [0,1,0,0,0,0|1,0,1]=3 422 B7R0.10 C([C@H]([C@@H](CO)O)O)O TS32486 [0,1,0,0,0,0|1,0,2]=4 423 B7R0.10 C([C@H]([C@H](C=O)O)O)O TS32407 [0,1,0,0,0,0|1,0,1]=3 424 B7R0.10 CC(C(=O)OC)OC TS32317 [0,1,0,0,0,0|3,0,0]=4 425 B7R0.10 CC(C(=O)OC)SC TS05922 [0,1,0,0,0,0|3,0,0]=4 426 B7R0.10 CCC(C(=O)CC)O TS32221 [0,1,0,0,0,0|3,0,0]=4 427 B7R0.10 CCC(C(=O)OC)Br TS65236 [0,1,0,0,0,0|2,0,0]=3 428 B7R0.10 CCC(C(=O)OC)Cl TS06135 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.10 CCC(C(=O)OC)N TS41307 [0,1,0,0,0,0|1,0,0]=2 430 B7R0.10 CCC(C)C(=O)CC TS04477 [0,1,0,0,0,0|3,0,0]=4 431 B7R0.10 CCC(C)C(=O)OC TS04590 [0,1,0,0,0,0|2,0,0]=3 432 B7R0.10 CCC(C)C(=O)SC TS05776 [0,1,0,0,0,0|2,1,0]=4 433 B7R0.10 CC[C@@H](C)[C@H](CO)N TS22803 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.10 COC(=O)C(=C)CBr TS47657 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.10 COC(=O)C(=O)CBr TS14714 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.10 COC(=O)C(C=C)O TS32185 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.10 COC(=O)C(CBr)Br TS27392 [0,1,0,0,0,0|2,0,0]=3 438 B7R0.10 COC(=O)C(CCl)Cl TS10813 [0,1,0,0,0,0|2,0,0]=3 439 B7R0.10 COC(=O)C(CCl)N TS08717 [0,1,0,0,0,0|1,0,0]=2 440 B7R0.10 COC(=O)C(CO)Cl TS37246 [0,1,0,0,0,0|1,0,0]=2 441 B7R0.10 COC(=O)C(CO)N TS47365 [0,1,0,0,0,0|0,0,0]=1 442 B7R0.10 COC(=O)[C@@H](CCl)N TS45716 [0,1,0,0,0,0|1,0,0]=2 443 B7R0.10 COC(=O)[C@@H](CO)N TS55886 [0,1,0,0,0,0|0,0,0]=1 444 B7R0.10 COC(=O)[C@H](CCl)N TS06211 [0,1,0,0,0,0|1,0,0]=2 445 B7R0.10 COC(=O)[C@H](CO)N TS46686 [0,1,0,0,0,0|0,0,0]=1 446 B7R0.10 COC(=O)[C@H](CS)N TS64915 [0,1,0,0,0,0|0,1,0]=2 447 B7R0.10 COC(C(=O)OC)O TS01782 [0,1,0,0,0,0|3,0,0]=4 448 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [0,1,0,0,0,0|3,0,0]=4 449 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [0,1,0,0,0,0|2,0,0]=3 450 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [0,1,0,0,0,0|1,0,0]=2 451 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [0,1,0,0,0,0|2,0,0]=3 452 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [0,1,0,0,0,0|1,0,0]=2 453 B7R0.13 C(C(C(=O)N)(Cl)Cl)Cl TS13927 [0,1,0,0,0,0|3,0,0]=4 454 B7R0.13 C(C([N+](=O)[O-])(Br)Br)O TS27841 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.13 CC(C)(C#C)C(=O)O TS31916 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.13 CC(C)(C(=O)O)NC TS32286 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.13 CC(C)(C(=O)O)O[NH3+] TS09112 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.13 CC(C)(CCl)C(=O)Cl TS10543 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.13 CC(C)(CCl)C(=O)O TS37072 [0,1,0,0,0,0|2,0,0]=3 460 B7R0.13 CC(C)(CN)C(=O)N TS65836 [0,1,0,0,0,0|3,0,0]=4 461 B7R0.13 CC(C)(CO)C(=O)O TS47115 [0,1,0,0,0,0|1,0,0]=2 462 B7R0.13 CC(C)(CO)[N+](=O)[O-] TS32385 [0,1,0,0,0,0|2,0,1]=4 463 B7R0.13 CC(CBr)(C(=O)O)Br TS85189 [0,1,0,0,0,0|2,0,0]=3 464 B7R0.13 CC(CCl)(C(=O)O)Cl TS10812 [0,1,0,0,0,0|2,0,0]=3 465 B7R0.13 CC(CCl)(C(=O)[O-])Cl TS14328 [0,1,0,0,0,0|2,0,1]=4 466 B7R0.13 CC(CO)(C(=O)O)N TS32390 [0,1,0,0,0,0|0,0,0]=1 467 B7R0.13 CC(CO)(N(=O)=O)Br TS48510 [0,1,0,0,0,0|2,0,1]=4 468 B7R0.13 CCC(C)(C(=O)O)Br TS14722 [0,1,0,0,0,0|2,0,0]=3 469 B7R0.13 CCC(C)(C(=O)O)N TS04668 [0,1,0,0,0,0|1,0,0]=2 470 B7R0.13 CCC(C)(C(=O)O)N TS41309 [0,1,0,0,0,0|1,0,0]=2 471 B7R0.13 CCC(C)(C(=O)O)O TS04711 [0,1,0,0,0,0|2,0,0]=3 472 B7R0.13 CCC(C)(C)C(=O)Cl TS39250 [0,1,0,0,0,0|3,0,0]=4 473 B7R0.13 CCC(C)(C)C(=O)O TS32225 [0,1,0,0,0,0|2,0,0]=3 474 B7R0.13 CC[C@](C)(C(=O)O)N TS08724 [0,1,0,0,0,0|1,0,0]=2 475 B7R0.13 CC[C@](C)(C(=O)O)N TS10365 [0,1,0,0,0,0|1,0,0]=2 476 B7R0.13 CC[C@](C)(C(=O)O)O TS32316 [0,1,0,0,0,0|2,0,0]=3 477 B7R0.13 C[C@@](CBr)(C(=O)O)O TS15088 [0,1,0,0,0,0|2,0,0]=3 478 B7R0.13 C[C@](CBr)(C(=O)O)O TS59847 [0,1,0,0,0,0|2,0,0]=3 479 B7R0.14 CC(C)(C)[C@@H](CO)N TS59651 [0,1,0,0,0,0|2,0,1]=4 480 B7R0.14 CCC(N)P(=O)(O)O TS06345 [0,1,0,0,0,0|2,0,0]=3 481 B7R0.14 CC[C@@H](N)P(=O)(O)O TS06344 [0,1,0,0,0,0|2,0,0]=3 482 B7R0.14 CC[C@H](N)P(=O)(O)O TS06343 [0,1,0,0,0,0|2,0,0]=3 483 B7R0.15 C(C(CBr)C(=O)O)Br TS27393 [0,1,0,0,0,0|2,0,0]=3 484 B7R0.15 CCC(CC)C(=O)C TS04458 [0,1,0,0,0,0|3,0,0]=4 485 B7R0.15 CCC(CC)C(=O)Cl TS05951 [0,1,0,0,0,0|3,0,0]=4 486 B7R0.15 CCC(CC)C(=O)O TS04596 [0,1,0,0,0,0|2,0,0]=3 487 B7R0.15 CCC(CC)C(=O)[O-] TS28700 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.15 CCC(CO)[N+](=O)[O-] TS32388 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.15 CC[C@H](CO)C(=O)O TS04708 [0,1,0,0,0,0|1,0,0]=2 490 B7R0.15 CNC(CS)C(=O)O TS45390 [0,1,0,0,0,0|0,1,0]=2 491 B7R0.15 CN[C@@H](CO)C(=O)O TS32387 [0,1,0,0,0,0|0,0,0]=1 492 B7R0.15 CN[C@@H](C[SeH])C(=O)O TS48173 [0,1,0,0,0,0|0,1,0]=2 493 B7R0.16 C(=O)(C(=O)O)C(=O)O TS04690 [0,1,0,0,0,0|1,0,2]=4 494 B7R0.16 C(=O)(C(=O)O)C(=O)O TS06034 [0,1,0,0,0,0|1,0,2]=4 495 B7R0.16 C(C(=O)N)(C(=O)N)N TS32277 [0,1,0,0,0,0|1,0,2]=4 496 B7R0.16 C(C(=O)O)(C(=O)O)N TS01343 [0,1,0,0,0,0|0,0,1]=2 497 B7R0.16 C(C(=O)O)(C(=O)O)O TS32405 [0,1,0,0,0,0|1,0,1]=3 498 B7R0.16 CC(C(=O)O)C(=O)O TS59975 [0,1,0,0,0,0|1,0,1]=3 499 B7R0.16 CC(C(C(=O)O)Br)Br TS27396 [0,1,0,0,0,0|2,0,0]=3 500 B7R0.16 CC(C(C(=O)O)N)F TS04855 [0,1,0,0,0,0|1,0,0]=2 501 B7R0.16 CC(C(C(=O)O)N)N TS32333 [0,1,0,0,0,0|1,0,0]=2 502 B7R0.16 CC(C(C(=O)O)N)O TS32381 [0,1,0,0,0,0|0,0,0]=1 503 B7R0.16 CC(C(C)O)[N+](=O)[O-] TS32383 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.16 CC(C)C(C(=O)Br)Br TS27078 [0,1,0,0,0,0|3,0,0]=4 505 B7R0.16 CC(C)C(C(=O)O)Br TS14725 [0,1,0,0,0,0|2,0,0]=3 506 B7R0.16 CC(C)C(C(=O)O)O TS04712 [0,1,0,0,0,0|2,0,0]=3 507 B7R0.16 CC(C)C(C)C(=O)O TS32220 [0,1,0,0,0,0|2,0,0]=3 508 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41225 [0,1,0,0,0,0|2,0,0]=3 509 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41227 [0,1,0,0,0,0|2,0,0]=3 510 B7R0.16 CC(C)[C@@H](C(=O)O)Br TS08097 [0,1,0,0,0,0|2,0,0]=3 511 B7R0.16 CC(C)[C@@H](C(=O)O)Cl TS37075 [0,1,0,0,0,0|2,0,0]=3 512 B7R0.16 CC(C)[C@@H](C(=O)O)N TS94390 [0,1,0,0,0,0|1,0,0]=2 513 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [0,1,0,0,0,0|2,0,0]=3 514 B7R0.16 CC(C)[C@H](C(=O)O)Br TS14723 [0,1,0,0,0,0|2,0,0]=3 515 B7R0.16 CC(C)[C@H](C(=O)O)Cl TS37074 [0,1,0,0,0,0|2,0,0]=3 516 B7R0.16 CC(C)[C@H](C(=O)O)N TS59535 [0,1,0,0,0,0|1,0,0]=2 517 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)N TS51239 [0,1,0,0,0,0|1,0,0]=2 518 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O TS32386 [0,1,0,0,0,0|0,0,0]=1 519 B7R0.16 C[C@@H]([C@H](C(=O)O)N)N TS51241 [0,1,0,0,0,0|1,0,0]=2 520 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O TS39862 [0,1,0,0,0,0|0,0,0]=1 521 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O TS41461 [0,1,0,0,0,0|1,0,0]=2 522 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N TS51240 [0,1,0,0,0,0|1,0,0]=2 523 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O TS74521 [0,1,0,0,0,0|0,0,0]=1 524 B7R1.4 C1C(C(=O)NO1)N TS03929 [0,0,0,1,0,0|1,0,0]=2 525 B7R1.4 C1CC(C(=O)C1)Br TS55161 [0,0,0,1,0,0|3,0,0]=4 526 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [0,0,0,1,0,0|3,0,0]=4 527 B7R1.4 C1CC(C(C1)O)N TS03905 [0,0,0,1,0,0|2,0,1]=4 528 B7R1.4 C1CNC(=O)C1N TS94857 [0,0,0,1,0,0|2,0,0]=3 529 B7R1.4 C1CNC(=O)C1O TS02803 [0,0,0,1,0,0|3,0,0]=4 530 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [0,0,0,1,0,0|3,0,0]=4 531 B7R1.4 C1COC(=O)C1Br TS65029 [0,0,0,1,0,0|2,0,0]=3 532 B7R1.4 C1COC(=O)C1O TS70622 [0,0,0,1,0,0|2,0,0]=3 533 B7R1.4 C1COC(=O)N1N TS03931 [0,0,0,1,0,0|2,0,0]=3 534 B7R1.4 C1COC(=O)N1N TS18967 [0,0,0,1,0,0|2,0,0]=3 535 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [0,0,0,1,0,0|1,0,0]=2 536 B7R1.4 C1COC(=O)[C@H]1N TS37131 [0,0,0,1,0,0|1,0,0]=2 537 B7R1.4 C1CSC(=O)C1N TS41321 [0,0,0,1,0,0|1,1,0]=3 538 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [0,0,0,1,0,0|1,1,0]=3 539 B7R1.4 C1C[C@@H]([C@H](C1)O)N TS59451 [0,0,0,1,0,0|2,0,1]=4 540 B7R1.4 C1C[C@H]([C@@H](C1)O)N TS94575 [0,0,0,1,0,0|2,0,1]=4 541 B7R1.4 C1C[C@H]([C@H](C1)O)N TS55819 [0,0,0,1,0,0|2,0,1]=4 542 B7R1.4 C1[C@@H](C(=O)NO1)N TS31587 [0,0,0,1,0,0|1,0,0]=2 543 B7R1.4 C1[C@@H]([C@H](CO1)N)N TS92585 [0,0,0,1,0,0|2,0,1]=4 544 B7R1.4 C1[C@@H]([C@H](CO1)N)N TS92586 [0,0,0,1,0,0|2,0,1]=4 545 B7R1.4 C1[C@@H]([C@H](CO1)O)O TS31674 [0,0,0,1,0,0|2,0,1]=4 546 B7R1.4 C1[C@H](C(=O)NO1)N TS01419 [0,0,0,1,0,0|1,0,0]=2 547 B7R1.4 C1[C@H]([C@@H](CO1)N)N TS87919 [0,0,0,1,0,0|2,0,1]=4 548 B7R1.4 C1[C@H]([C@H](CO1)N)N TS87566 [0,0,0,1,0,0|2,0,1]=4 549 B7R1.4 C=C1CCOC1=O TS46473 [0,0,0,1,0,0|2,0,1]=4 550 B7R1.4 CC1CCNC1=O TS70662 [0,0,0,1,0,0|3,0,0]=4 551 B7R1.4 CC1CCOC1=O TS59696 [0,0,0,1,0,0|2,0,0]=3 552 B7R1.8 C1CC(=O)C1CO TS92430 [0,0,0,1,0,0|2,0,0]=3 553 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O TS91377 [0,0,0,1,0,0|2,0,0]=3 554 B7R1.12 C1[C@@H]([C@H]1F)C(=O)Cl TS04937 [0,0,0,1,0,0|3,0,0]=4 555 B7R1.18 C1C(CN1)C(=O)N TS86704 [0,0,0,1,0,0|3,0,0]=4 556 B7R1.18 C1C(CN1)C(=O)N TS88630 [0,0,0,1,0,0|3,0,0]=4 557 B7R1.18 C1C(CN1)C(=O)O TS06212 [0,0,0,1,0,0|2,0,0]=3 558 B7R1.18 C1C(CN1)C(=O)O TS55737 [0,0,0,1,0,0|2,0,0]=3 559 B7R1.18 C1C(CO1)C(=O)O TS87729 [0,0,0,1,0,0|1,0,0]=2 560 B7R1.18 C1CC(C1)C(=O)Cl TS22945 [0,0,0,1,0,0|3,0,0]=4 561 B7R1.18 C1CC(C1)C(=O)N TS03818 [0,0,0,1,0,0|3,0,0]=4 562 B7R1.18 C1CC(C1)C(=O)O TS22946 [0,0,0,1,0,0|2,0,0]=3 563 B7R1.18 C1CC(C1)C(=O)[O-] TS39115 [0,0,0,1,0,0|2,0,1]=4 564 B7R1.18 C1CNC1C(=O)N TS03852 [0,0,0,1,0,0|2,0,0]=3 565 B7R1.18 C1CNC1C(=O)O TS31540 [0,0,0,1,0,0|1,0,0]=2 566 B7R1.18 C1CNC1C(=O)O TS86021 [0,0,0,1,0,0|1,0,0]=2 567 B7R1.18 C1CN[C@@H]1C(=O)O TS08096 [0,0,0,1,0,0|1,0,0]=2 568 B7R1.18 C1CN[C@@H]1C(=O)O TS37132 [0,0,0,1,0,0|1,0,0]=2 569 B7R1.18 C1CN[C@H]1C(=O)O TS01418 [0,0,0,1,0,0|1,0,0]=2 570 B7R1.18 C1COC1C(=O)O TS32718 [0,0,0,1,0,0|2,0,0]=3 571 B7R1.19 C1CC1(C(=O)O)N TS46850 [0,0,0,1,0,0|1,0,0]=2 572 B7R1.19 C1CC1(C(=O)O)N TS94651 [0,0,0,1,0,0|1,0,0]=2 573 B7R1.19 C1CC1(C(=O)O)O TS46965 [0,0,0,1,0,0|2,0,0]=3 574 B7R1.19 CC(=O)C1(CC1)C TS31439 [0,0,0,1,0,0|3,0,0]=4 575 B7R1.19 CC1(CC1)C(=O)O TS03847 [0,0,0,1,0,0|2,0,0]=3 576 B7R0.2 C(C(CN)N)C(=O)O TS32339 [0,0,0,0,0,1|1,0,0]=2 577 B7R0.2 C([C@@H](CN)N)C(=O)O TS08133 [0,0,0,0,0,1|1,0,0]=2 578 B7R0.2 C([C@@H](CO)N)C(=O)O TS32376 [0,0,0,0,0,1|0,0,0]=1 579 B7R0.2 C([C@H](CN)N)C(=O)O TS08078 [0,0,0,0,0,1|1,0,0]=2 580 B7R0.2 C([C@H](CN)O)C(=O)O TS32382 [0,0,0,0,0,1|2,0,0]=3 581 B7R0.2 C([C@H](CO)N)C(=O)O TS74514 [0,0,0,0,0,1|0,0,0]=1 582 B7R0.2 CC(=O)OC(CBr)Br TS27398 [0,0,0,0,0,1|3,0,0]=4 583 B7R0.2 CC(C)C[C@H](CO)N TS39858 [0,0,0,0,0,1|2,0,1]=4 584 B7R0.2 CCC(C)CC(=O)C TS04467 [0,0,0,0,0,1|3,0,0]=4 585 B7R0.2 CCC(C)CC(=O)Cl TS05950 [0,0,0,0,0,1|3,0,0]=4 586 B7R0.2 CCC(C)CC(=O)O TS04597 [0,0,0,0,0,1|2,0,0]=3 587 B7R0.2 CCC(C)NC(=O)N TS04603 [0,0,0,0,0,1|3,0,0]=4 588 B7R0.2 CCC(C)OC(=O)C TS32210 [0,0,0,0,0,1|3,0,0]=4 589 B7R0.2 CCC(C)OC(=O)Cl TS06133 [0,0,0,0,0,1|3,0,0]=4 590 B7R0.2 CCC(CC(=O)O)N TS04672 [0,0,0,0,0,1|1,0,0]=2 591 B7R0.2 CCC(CC(=O)O)O TS32318 [0,0,0,0,0,1|2,0,0]=3 592 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [0,0,0,0,0,1|2,0,0]=3 593 B7R0.2 CC[C@@H](CC(=O)O)N TS32279 [0,0,0,0,0,1|1,0,0]=2 594 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [0,0,0,0,0,1|2,0,0]=3 595 B7R0.2 CC[C@H](CC(=O)O)N TS04666 [0,0,0,0,0,1|1,0,0]=2 596 B4R0.1 B(CC)(O)O TS56140 [2,0,0,0,0,0|1,0,1]=4 597 B4R0.1 BC(=O)OC TS05627 [2,0,0,0,0,0|2,0,0]=4 598 B4R0.1 C#CC(=O)O TS59821 [2,0,0,0,0,0|0,0,2]=4 599 B4R0.1 C(=O)(N)NN TS00261 [2,0,0,0,0,0|2,0,0]=4 600 B4R0.1 C(=O)(N)NN TS71629 [2,0,0,0,0,0|2,0,0]=4 601 B4R0.1 C(=O)(N)NO TS71637 [2,0,0,0,0,0|1,0,1]=4 602 B4R0.1 C(=O)C(=O)O TS39873 [2,0,0,0,0,0|0,0,2]=4 603 B4R0.1 C(=O)C(Cl)Cl TS36583 [2,0,0,0,0,0|2,0,0]=4 604 B4R0.1 C(C(=N)N)N TS56589 [2,0,0,0,0,0|2,0,0]=4 605 B4R0.1 C(C(=O)Br)Br TS65193 [2,0,0,0,0,0|2,0,0]=4 606 B4R0.1 C(C(=O)Cl)Br TS41828 [2,0,0,0,0,0|2,0,0]=4 607 B4R0.1 C(C(=O)Cl)Cl TS31992 [2,0,0,0,0,0|2,0,0]=4 608 B4R0.1 C(C(=O)Cl)F TS64901 [2,0,0,0,0,0|2,0,0]=4 609 B4R0.1 C(C(=O)Cl)I TS38699 [2,0,0,0,0,0|2,0,0]=4 610 B4R0.1 C(C(=O)F)Cl TS03738 [2,0,0,0,0,0|2,0,0]=4 611 B4R0.1 C(C(=O)F)F TS71660 [2,0,0,0,0,0|2,0,0]=4 612 B4R0.1 C(C(=O)N)Br TS55147 [2,0,0,0,0,0|1,0,1]=4 613 B4R0.1 C(C(=O)N)Cl TS71884 [2,0,0,0,0,0|1,0,1]=4 614 B4R0.1 C(C(=O)N)F TS03417 [2,0,0,0,0,0|1,0,1]=4 615 B4R0.1 C(C(=O)N)I TS39674 [2,0,0,0,0,0|1,0,1]=4 616 B4R0.1 C(C(=O)N)N TS36806 [2,0,0,0,0,0|1,0,0]=3 617 B4R0.1 C(C(=O)N)N TS39640 [2,0,0,0,0,0|1,0,0]=3 618 B4R0.1 C(C(=O)N)O TS71626 [2,0,0,0,0,0|0,0,1]=3 619 B4R0.1 C(C(=O)N)S TS03643 [2,0,0,0,0,0|0,1,1]=4 620 B4R0.1 C(C(=O)O)Br TS06335 [2,0,0,0,0,0|1,0,0]=3 621 B4R0.1 C(C(=O)O)Br TS37324 [2,0,0,0,0,0|1,0,0]=3 622 B4R0.1 C(C(=O)O)Br TS37325 [2,0,0,0,0,0|1,0,0]=3 623 B4R0.1 C(C(=O)O)Br TS37462 [2,0,0,0,0,0|1,0,0]=3 624 B4R0.1 C(C(=O)O)Cl TS03683 [2,0,0,0,0,0|1,0,0]=3 625 B4R0.1 C(C(=O)O)F TS03424 [2,0,0,0,0,0|1,0,0]=3 626 B4R0.1 C(C(=O)O)I TS48817 [2,0,0,0,0,0|1,0,0]=3 627 B4R0.1 C(C(=O)O)N TS31897 [2,0,0,0,0,0|0,0,0]=2 628 B4R0.1 C(C(=O)O)N TS62535 [2,0,0,0,0,0|0,0,0]=2 629 B4R0.1 C(C(=O)O)O TS71635 [2,0,0,0,0,0|0,0,0]=2 630 B4R0.1 C(C(=O)O)S TS03656 [2,0,0,0,0,0|0,1,0]=3 631 B4R0.1 C(C(=O)[O-])Cl TS04648 [2,0,0,0,0,0|1,0,1]=4 632 B4R0.1 C(C(=O)[O-])F TS03691 [2,0,0,0,0,0|1,0,1]=4 633 B4R0.1 C(C(=O)[O-])F TS15406 [2,0,0,0,0,0|1,0,1]=4 634 B4R0.1 C(C(=O)[O-])F TS31484 [2,0,0,0,0,0|1,0,1]=4 635 B4R0.1 C(C(=O)[O-])I TS01955 [2,0,0,0,0,0|1,0,1]=4 636 B4R0.1 C(C(=O)[O-])I TS17396 [2,0,0,0,0,0|1,0,1]=4 637 B4R0.1 C(C(=O)[O-])N TS03744 [2,0,0,0,0,0|0,0,1]=3 638 B4R0.1 C(C(=O)[O-])N TS05962 [2,0,0,0,0,0|0,0,1]=3 639 B4R0.1 C(C(=O)[O-])N TS13250 [2,0,0,0,0,0|0,0,1]=3 640 B4R0.1 C(C(=O)[O-])N TS21558 [2,0,0,0,0,0|0,0,1]=3 641 B4R0.1 C(C(=O)[O-])N TS38376 [2,0,0,0,0,0|0,0,1]=3 642 B4R0.1 C(C(=O)[O-])N TS50709 [2,0,0,0,0,0|0,0,1]=3 643 B4R0.1 C(C(=O)[O-])N TS93263 [2,0,0,0,0,0|0,0,1]=3 644 B4R0.1 C(C(=O)[O-])N TS93300 [2,0,0,0,0,0|0,0,1]=3 645 B4R0.1 C(C(=O)[O-])O TS03750 [2,0,0,0,0,0|0,0,1]=3 646 B4R0.1 C(C(=O)[O-])S TS31805 [2,0,0,0,0,0|0,1,1]=4 647 B4R0.1 C(C(=O)[O-])S TS32044 [2,0,0,0,0,0|0,1,1]=4 648 B4R0.1 C(C(=O)[O-])S TS36493 [2,0,0,0,0,0|0,1,1]=4 649 B4R0.1 C(C(Cl)Cl)O TS32138 [2,0,0,0,0,0|2,0,0]=4 650 B4R0.1 C(C(F)Br)O TS06812 [2,0,0,0,0,0|2,0,0]=4 651 B4R0.1 C(C(F)F)O TS34629 [2,0,0,0,0,0|2,0,0]=4 652 B4R0.1 C=C(CO)Br TS06156 [2,0,0,0,0,0|1,0,1]=4 653 B4R0.1 C=C(CO)Cl TS00065 [2,0,0,0,0,0|1,0,1]=4 654 B4R0.1 C=CC(=O)O TS71594 [2,0,0,0,0,0|0,0,2]=4 655 B4R0.1 CC(=C)C=O TS71445 [2,0,0,0,0,0|1,0,1]=4 656 B4R0.1 CC(=C)CN TS02169 [2,0,0,0,0,0|2,0,0]=4 657 B4R0.1 CC(=C)CN TS04121 [2,0,0,0,0,0|2,0,0]=4 658 B4R0.1 CC(=C)CO TS00103 [2,0,0,0,0,0|1,0,1]=4 659 B4R0.1 CC(=O)C=O TS71593 [2,0,0,0,0,0|1,0,1]=4 660 B4R0.1 CC(=O)CBr TS64992 [2,0,0,0,0,0|2,0,0]=4 661 B4R0.1 CC(=O)CCl TS71869 [2,0,0,0,0,0|2,0,0]=4 662 B4R0.1 CC(=O)CF TS71639 [2,0,0,0,0,0|2,0,0]=4 663 B4R0.1 CC(=O)CO TS39607 [2,0,0,0,0,0|1,0,0]=3 664 B4R0.1 CC(=O)NC TS16313 [2,0,0,0,0,0|2,0,0]=4 665 B4R0.1 CC(=O)NN TS01339 [2,0,0,0,0,0|2,0,0]=4 666 B4R0.1 CC(=O)OC TS03390 [2,0,0,0,0,0|2,0,0]=4 667 B4R0.1 CC(=O)OO TS71636 [2,0,0,0,0,0|2,0,0]=4 668 B4R0.1 CC(=O)SC TS71852 [2,0,0,0,0,0|2,0,0]=4 669 B4R0.1 CC(C#C)N TS00055 [2,0,0,0,0,0|1,0,1]=4 670 B4R0.1 CC(C#C)N TS31716 [2,0,0,0,0,0|1,0,1]=4 671 B4R0.1 CC(C#N)N TS03358 [2,0,0,0,0,0|1,0,1]=4 672 B4R0.1 CC(C)C=O TS00105 [2,0,0,0,0,0|1,0,0]=3 673 B4R0.1 CC(C)CO TS03402 [2,0,0,0,0,0|1,0,1]=4 674 B4R0.1 CC(C)NO TS04257 [2,0,0,0,0,0|2,0,0]=4 675 B4R0.1 CC(C)NO TS71633 [2,0,0,0,0,0|2,0,0]=4 676 B4R0.1 CC(C=C)Br TS36909 [2,0,0,0,0,0|2,0,0]=4 677 B4R0.1 CC(C=C)Cl TS03635 [2,0,0,0,0,0|2,0,0]=4 678 B4R0.1 CC(C=C)O TS71610 [2,0,0,0,0,0|2,0,0]=4 679 B4R0.1 CC(CBr)O TS06336 [2,0,0,0,0,0|2,0,0]=4 680 B4R0.1 CC(CCl)O TS03686 [2,0,0,0,0,0|2,0,0]=4 681 B4R0.1 CC(CF)O TS03431 [2,0,0,0,0,0|2,0,0]=4 682 B4R0.1 CC(CN)N TS16685 [2,0,0,0,0,0|1,0,1]=4 683 B4R0.1 CC(CN)O TS71630 [2,0,0,0,0,0|1,0,1]=4 684 B4R0.1 CC(CO)F TS03432 [2,0,0,0,0,0|1,0,1]=4 685 B4R0.1 CC(CO)N TS04255 [2,0,0,0,0,0|0,0,1]=3 686 B4R0.1 CC(CO)O TS22730 [2,0,0,0,0,0|1,0,0]=3 687 B4R0.1 CC(CS)O TS71863 [2,0,0,0,0,0|1,1,0]=4 688 B4R0.1 CC(C[NH3+])O TS45584 [2,0,0,0,0,0|2,0,0]=4 689 B4R0.1 CCC(=C)Br TS36908 [2,0,0,0,0,0|2,0,0]=4 690 B4R0.1 CCC(=C)C TS03363 [2,0,0,0,0,0|2,0,0]=4 691 B4R0.1 CCC(=C)Cl TS03633 [2,0,0,0,0,0|2,0,0]=4 692 B4R0.1 CCC(=N)N TS01647 [2,0,0,0,0,0|2,0,0]=4 693 B4R0.1 CCC(=O)Br TS06155 [2,0,0,0,0,0|1,0,0]=3 694 B4R0.1 CCC(=O)C TS71608 [2,0,0,0,0,0|1,0,0]=3 695 B4R0.1 CCC(=O)Cl TS71868 [2,0,0,0,0,0|1,0,0]=3 696 B4R0.1 CCC(=O)F TS71638 [2,0,0,0,0,0|1,0,0]=3 697 B4R0.1 CCC(=O)N TS59820 [2,0,0,0,0,0|1,0,0]=3 698 B4R0.1 CCC(=O)O TS03391 [2,0,0,0,0,0|0,0,0]=2 699 B4R0.1 CCC(=O)[O-] TS03709 [2,0,0,0,0,0|0,0,1]=3 700 B4R0.1 CCC(=O)[O-] TS04307 [2,0,0,0,0,0|0,0,1]=3 701 B4R0.1 CCC(=O)[O-] TS21191 [2,0,0,0,0,0|0,0,1]=3 702 B4R0.1 CCC(=O)[O-] TS28396 [2,0,0,0,0,0|0,0,1]=3 703 B4R0.1 CCC(=O)[O-] TS29272 [2,0,0,0,0,0|0,0,1]=3 704 B4R0.1 CCC(=O)[O-] TS38909 [2,0,0,0,0,0|0,0,1]=3 705 B4R0.1 CCC(=O)[O-] TS48904 [2,0,0,0,0,0|0,0,1]=3 706 B4R0.1 CCC(=O)[O-] TS53540 [2,0,0,0,0,0|0,0,1]=3 707 B4R0.1 CCC(=S)N TS03610 [2,0,0,0,0,0|1,1,0]=4 708 B4R0.1 CCC(=S)O TS71850 [2,0,0,0,0,0|0,1,0]=3 709 B4R0.1 CCC(C)N TS03382 [2,0,0,0,0,0|1,0,1]=4 710 B4R0.1 CCC(C)O TS03403 [2,0,0,0,0,0|1,0,1]=4 711 B4R0.1 CCS(=O)[O-] TS93504 [2,0,0,0,0,0|1,0,1]=4 712 B4R0.1 CC[C@@H](C)N TS04171 [2,0,0,0,0,0|1,0,1]=4 713 B4R0.1 CC[C@@H](C)O TS03406 [2,0,0,0,0,0|1,0,1]=4 714 B4R0.1 CC[C@H](C)O TS03405 [2,0,0,0,0,0|1,0,1]=4 715 B4R0.1 CC[N+](=O)[O-] TS56409 [2,0,0,0,0,0|1,0,1]=4 716 B4R0.1 CN(C)C=O TS01574 [2,0,0,0,0,0|2,0,0]=4 717 B4R0.1 CN(C)C=O TS03397 [2,0,0,0,0,0|2,0,0]=4 718 B4R0.1 CN(C)C=O TS31811 [2,0,0,0,0,0|2,0,0]=4 719 B4R0.1 CN(C)C=O TS41262 [2,0,0,0,0,0|2,0,0]=4 720 B4R0.1 CNC(=O)Cl TS71883 [2,0,0,0,0,0|2,0,0]=4 721 B4R0.1 CNC(=O)N TS03394 [2,0,0,0,0,0|2,0,0]=4 722 B4R0.1 COC(=O)Cl TS03684 [2,0,0,0,0,0|2,0,0]=4 723 B4R0.1 COC(=O)N TS71628 [2,0,0,0,0,0|2,0,0]=4 724 B4R0.1 COC(=O)[O-] TS36560 [2,0,0,0,0,0|1,0,1]=4 725 B4R0.1 CSC(=O)Cl TS31865 [2,0,0,0,0,0|2,0,0]=4 726 B4R0.1 C[C@@H](CCl)O TS08924 [2,0,0,0,0,0|2,0,0]=4 727 B4R0.1 C[C@@H](CN)N TS45459 [2,0,0,0,0,0|1,0,1]=4 728 B4R0.1 C[C@@H](CN)N TS59565 [2,0,0,0,0,0|1,0,1]=4 729 B4R0.1 C[C@@H](CN)O TS71634 [2,0,0,0,0,0|1,0,1]=4 730 B4R0.1 C[C@@H](CO)Cl TS31359 [2,0,0,0,0,0|1,0,1]=4 731 B4R0.1 C[C@@H](CO)N TS55878 [2,0,0,0,0,0|0,0,1]=3 732 B4R0.1 C[C@@H](CO)O TS46640 [2,0,0,0,0,0|1,0,0]=3 733 B4R0.1 C[C@H](CCl)O TS46601 [2,0,0,0,0,0|2,0,0]=4 734 B4R0.1 C[C@H](CN)N TS31866 [2,0,0,0,0,0|1,0,1]=4 735 B4R0.1 C[C@H](CN)N TS45458 [2,0,0,0,0,0|1,0,1]=4 736 B4R0.1 C[C@H](CN)O TS71631 [2,0,0,0,0,0|1,0,1]=4 737 B4R0.1 C[C@H](CO)Cl TS03688 [2,0,0,0,0,0|1,0,1]=4 738 B4R0.1 C[C@H](CO)N TS01415 [2,0,0,0,0,0|0,0,1]=3 739 B4R0.1 C[C@H](CO)O TS59482 [2,0,0,0,0,0|1,0,0]=3 740 B4R0.2 C#CCCO TS09504 [2,0,0,0,0,0|1,0,1]=4 741 B4R0.2 C(C=O)C=O TS71592 [2,0,0,0,0,0|0,0,2]=4 742 B4R0.2 C(CCl)C=O TS71867 [2,0,0,0,0,0|1,0,0]=3 743 B4R0.2 C(CN)CO TS04258 [2,0,0,0,0,0|1,0,1]=4 744 B4R0.2 C(CN)CO TS08858 [2,0,0,0,0,0|1,0,1]=4 745 B4R0.2 C(CO)C#N TS02797 [2,0,0,0,0,0|1,0,1]=4 746 B4R0.2 C(CO)CBr TS59604 [2,0,0,0,0,0|1,0,1]=4 747 B4R0.2 C(CO)CCl TS02021 [2,0,0,0,0,0|1,0,1]=4 748 B4R0.2 C(CO)CF TS00151 [2,0,0,0,0,0|1,0,1]=4 749 B4R0.2 C(CO)CI TS70633 [2,0,0,0,0,0|1,0,1]=4 750 B4R0.2 C(CO)CO TS00379 [2,0,0,0,0,0|0,0,1]=3 751 B4R0.2 C(CO)NN TS55378 [2,0,0,0,0,0|2,0,0]=4 752 B4R0.2 C=CCCBr TS03033 [2,0,0,0,0,0|2,0,0]=4 753 B4R0.2 C=CCCCl TS03638 [2,0,0,0,0,0|2,0,0]=4 754 B4R0.2 C=CCCN TS01596 [2,0,0,0,0,0|2,0,0]=4 755 B4R0.2 C=CCCN TS04120 [2,0,0,0,0,0|2,0,0]=4 756 B4R0.2 C=CCCO TS71598 [2,0,0,0,0,0|1,0,0]=3 757 B4R0.2 CC=CCO TS71604 [2,0,0,0,0,0|1,0,1]=4 758 B4R0.2 CCCC=O TS71609 [2,0,0,0,0,0|1,0,0]=3 759 B4R0.2 CCCCO TS03407 [2,0,0,0,0,0|1,0,1]=4 760 B4R0.2 CCNC=O TS03379 [2,0,0,0,0,0|2,0,0]=4 761 B4R0.2 CCOC=O TS03393 [2,0,0,0,0,0|2,0,0]=4 762 B4R0.2 CNCCO TS00099 [2,0,0,0,0,0|2,0,0]=4 763 B4R0.2 COCC=O TS03388 [2,0,0,0,0,0|2,0,0]=4 764 B4R0.2 COCCO TS71642 [2,0,0,0,0,0|2,0,0]=4 765 B4R0.2 CSCCO TS71862 [2,0,0,0,0,0|2,0,0]=4 766 B6R0.1 C(C(=O)NCO)Cl TS64943 [1,1,0,0,0,0|2,0,0]=4 767 B6R0.1 C(C(=O)OCO)N TS05233 [1,1,0,0,0,0|2,0,0]=4 768 B6R0.1 C(CN)C(=O)CN TS13627 [1,1,0,0,0,0|2,0,0]=4 769 B6R0.1 C(CO)C(=O)CN TS37313 [1,1,0,0,0,0|1,0,0]=3 770 B6R0.1 C(CO)C(CO)O TS04081 [1,1,0,0,0,0|0,0,2]=4 771 B6R0.1 C(CO)C(CO)O TS94708 [1,1,0,0,0,0|0,0,2]=4 772 B6R0.1 C(CO)[C@@H](CO)O TS94709 [1,1,0,0,0,0|0,0,2]=4 773 B6R0.1 C(CO)[C@H](CCl)O TS36026 [1,1,0,0,0,0|1,0,1]=4 774 B6R0.1 C(CO)[C@H](CO)O TS04082 [1,1,0,0,0,0|0,0,2]=4 775 B6R0.1 C=CC(=O)NCO TS31539 [1,1,0,0,0,0|2,0,0]=4 776 B6R0.1 CC(CCO)OC TS04039 [1,1,0,0,0,0|1,0,1]=4 777 B6R0.1 CC=C(C)CCO TS03864 [1,1,0,0,0,0|2,0,0]=4 778 B6R0.1 CCCC(=C)C=O TS31425 [1,1,0,0,0,0|2,0,0]=4 779 B6R0.1 CCCC(=O)CC TS31522 [1,1,0,0,0,0|2,0,0]=4 780 B6R0.1 CCCC(=O)NN TS31598 [1,1,0,0,0,0|2,0,0]=4 781 B6R0.1 CCCC(=O)OC TS03955 [1,1,0,0,0,0|1,0,0]=3 782 B6R0.1 CCCC(=S)OC TS32358 [1,1,0,0,0,0|1,1,0]=4 783 B6R0.1 CCNC(=O)OC TS31636 [1,1,0,0,0,0|2,0,0]=4 784 B6R0.1 CCOC(=O)CO TS56147 [1,1,0,0,0,0|2,0,0]=4 785 B6R0.1 CCOC(=O)NO TS04067 [1,1,0,0,0,0|2,0,0]=4 786 B6R0.1 CCOC(=O)OC TS31662 [1,1,0,0,0,0|2,0,0]=4 787 B6R0.1 CNCC(=O)OC TS01682 [1,1,0,0,0,0|2,0,0]=4 788 B6R0.1 COC(=O)CC#N TS31466 [1,1,0,0,0,0|1,0,1]=4 789 B6R0.1 COC(=O)CC=C TS31502 [1,1,0,0,0,0|1,0,1]=4 790 B6R0.1 COC(=O)CCBr TS56269 [1,1,0,0,0,0|1,0,0]=3 791 B6R0.1 COC(=O)CCCl TS04939 [1,1,0,0,0,0|1,0,0]=3 792 B6R0.1 COC(=O)CCN TS08577 [1,1,0,0,0,0|1,0,0]=3 793 B6R0.1 COC(=O)CCO TS65233 [1,1,0,0,0,0|0,0,0]=2 794 B6R0.1 COC(=O)CCS TS04824 [1,1,0,0,0,0|0,1,0]=3 795 B6R0.1 COC(=O)CSC TS39398 [1,1,0,0,0,0|2,0,0]=4 796 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [1,1,0,0,0,0|2,0,0]=4 797 B6R0.1 COCC(=O)OC TS39892 [1,1,0,0,0,0|2,0,0]=4 798 B6R0.1 C[C@@H](CCO)CO TS04034 [1,1,0,0,0,0|1,0,1]=4 799 B6R0.1 C[C@H](CCO)CO TS04033 [1,1,0,0,0,0|1,0,1]=4 800 B6R0.2 C(C(=N)N)C(=O)O TS31589 [1,1,0,0,0,0|1,0,1]=4 801 B6R0.2 C(C(=O)O)C(=O)O TS01463 [1,1,0,0,0,0|0,0,1]=3 802 B6R0.2 C(C(=O)O)C(=O)O TS04061 [1,1,0,0,0,0|0,0,1]=3 803 B6R0.2 C(C(=O)O)C(=O)O TS08896 [1,1,0,0,0,0|0,0,1]=3 804 B6R0.2 C(C(=O)O)C(=O)O TS74524 [1,1,0,0,0,0|0,0,1]=3 805 B6R0.2 C(C(=O)O)C(=O)[O-] TS37554 [1,1,0,0,0,0|0,0,2]=4 806 B6R0.2 C(C(F)F)C(=S)O TS37548 [1,1,0,0,0,0|1,1,0]=4 807 B6R0.2 CC(=O)CC(=O)O TS31585 [1,1,0,0,0,0|0,0,2]=4 808 B6R0.2 CC(C)CC(=O)C TS31526 [1,1,0,0,0,0|2,0,0]=4 809 B6R0.2 CC(C)CC(=O)Cl TS32446 [1,1,0,0,0,0|2,0,0]=4 810 B6R0.2 CC(C)CC(=O)N TS31557 [1,1,0,0,0,0|2,0,0]=4 811 B6R0.2 CC(C)CC(=O)O TS03936 [1,1,0,0,0,0|1,0,0]=3 812 B6R0.2 CC(C)CC(=O)[O-] TS32589 [1,1,0,0,0,0|1,0,1]=4 813 B6R0.2 CC(CC(=C)C)O TS31505 [1,1,0,0,0,0|2,0,0]=4 814 B6R0.2 CC(CC(=O)O)Cl TS04943 [1,1,0,0,0,0|1,0,0]=3 815 B6R0.2 CC(CC(=O)O)O TS31666 [1,1,0,0,0,0|0,0,0]=2 816 B6R0.2 CC(CC(=O)[O-])O TS94900 [1,1,0,0,0,0|0,0,1]=3 817 B6R0.2 CC(CC(C)O)O TS04029 [1,1,0,0,0,0|1,0,1]=4 818 B6R0.2 CN(C)CC(=O)O TS08905 [1,1,0,0,0,0|2,0,0]=4 819 B6R0.2 CN(C)CC(=O)O TS37315 [1,1,0,0,0,0|2,0,0]=4 820 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [1,1,0,0,0,0|1,0,0]=3 821 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [1,1,0,0,0,0|1,0,0]=3 822 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [1,1,0,0,0,0|0,0,0]=2 823 B6R0.2 C[C@@H](CC(=O)[O-])O TS05129 [1,1,0,0,0,0|0,0,1]=3 824 B6R0.2 C[C@@H](C[C@H](C)O)O TS04035 [1,1,0,0,0,0|1,0,1]=4 825 B6R0.2 C[C@H](CC(=O)O)N TS00214 [1,1,0,0,0,0|1,0,0]=3 826 B6R0.2 C[C@H](CC(=O)[O-])O TS05130 [1,1,0,0,0,0|0,0,1]=3 827 B6R0.2 C[C@H](C[C@@H](C)O)O TS04043 [1,1,0,0,0,0|1,0,1]=4 828 B6R0.4 C#CCCC(=O)O TS03769 [1,1,0,0,0,0|1,0,0]=3 829 B6R0.4 C(C#CC(=O)O)O TS31490 [1,1,0,0,0,0|0,0,1]=3 830 B6R0.4 C(C(=O)O)NC=O TS31630 [1,1,0,0,0,0|0,0,2]=4 831 B6R0.4 C(C(=O)O)[Se]C#N TS42657 [1,1,0,0,0,0|1,0,1]=4 832 B6R0.4 C(C=CC(=O)O)Br TS42842 [1,1,0,0,0,0|1,0,1]=4 833 B6R0.4 C(C=CC(=O)O)O TS31577 [1,1,0,0,0,0|0,0,1]=3 834 B6R0.4 C(CBr)OC(=O)Cl TS50601 [1,1,0,0,0,0|2,0,0]=4 835 B6R0.4 C(CC(=O)Cl)CBr TS94813 [1,1,0,0,0,0|2,0,0]=4 836 B6R0.4 C(CC(=O)Cl)CCl TS33157 [1,1,0,0,0,0|2,0,0]=4 837 B6R0.4 C(CC(=O)N)CN TS37256 [1,1,0,0,0,0|2,0,0]=4 838 B6R0.4 C(CC(=O)O)C#N TS02729 [1,1,0,0,0,0|1,0,0]=3 839 B6R0.4 C(CC(=O)O)C=O TS31586 [1,1,0,0,0,0|0,0,1]=3 840 B6R0.4 C(CC(=O)O)CBr TS39744 [1,1,0,0,0,0|1,0,0]=3 841 B6R0.4 C(CC(=O)O)CI TS44433 [1,1,0,0,0,0|1,0,0]=3 842 B6R0.4 C(CC(=O)O)CN TS31643 [1,1,0,0,0,0|1,0,0]=3 843 B6R0.4 C(CC(=O)[O-])CO TS01692 [1,1,0,0,0,0|0,0,1]=3 844 B6R0.4 C(CCl)NC(=O)N TS04945 [1,1,0,0,0,0|2,0,0]=4 845 B6R0.4 C(CCl)OC(=O)Cl TS06815 [1,1,0,0,0,0|2,0,0]=4 846 B6R0.4 C(CCl)OC(=O)N TS04987 [1,1,0,0,0,0|2,0,0]=4 847 B6R0.4 C(CO)NC(=O)N TS04021 [1,1,0,0,0,0|1,0,0]=3 848 B6R0.4 C(C[N+](=O)[O-])CO TS04073 [1,1,0,0,0,0|1,0,1]=4 849 B6R0.4 C=CCCC(=O)Cl TS71274 [1,1,0,0,0,0|2,0,0]=4 850 B6R0.4 C=CCCC(=O)O TS31497 [1,1,0,0,0,0|1,0,0]=3 851 B6R0.4 CC(=C)CCCO TS31523 [1,1,0,0,0,0|2,0,0]=4 852 B6R0.4 CC(=CCCO)C TS03867 [1,1,0,0,0,0|2,0,0]=4 853 B6R0.4 CC(=O)CCC=C TS31440 [1,1,0,0,0,0|2,0,0]=4 854 B6R0.4 CC(=O)CCCCl TS03260 [1,1,0,0,0,0|2,0,0]=4 855 B6R0.4 CC(=O)CCCO TS39779 [1,1,0,0,0,0|1,0,0]=3 856 B6R0.4 CC(=O)CCSC TS32359 [1,1,0,0,0,0|1,1,0]=4 857 B6R0.4 CC(=O)NCCN TS31596 [1,1,0,0,0,0|2,0,0]=4 858 B6R0.4 CC(=O)NCCO TS03989 [1,1,0,0,0,0|1,0,0]=3 859 B6R0.4 CC(=O)NCCS TS04795 [1,1,0,0,0,0|1,1,0]=4 860 B6R0.4 CC(=O)OCCBr TS55164 [1,1,0,0,0,0|2,0,0]=4 861 B6R0.4 CC(=O)OCCCl TS04941 [1,1,0,0,0,0|2,0,0]=4 862 B6R0.4 CC(=O)OCCO TS31665 [1,1,0,0,0,0|1,0,0]=3 863 B6R0.4 CC(CCCO)O TS04032 [1,1,0,0,0,0|1,0,1]=4 864 B6R0.4 CCC#CC(=O)O TS03759 [1,1,0,0,0,0|1,0,1]=4 865 B6R0.4 CCC=CC(=O)O TS03448 [1,1,0,0,0,0|1,0,1]=4 866 B6R0.4 CCC=CC(=O)O TS31503 [1,1,0,0,0,0|1,0,1]=4 867 B6R0.4 CCCCC(=O)Br TS42846 [1,1,0,0,0,0|2,0,0]=4 868 B6R0.4 CCCCC(=O)C TS31529 [1,1,0,0,0,0|2,0,0]=4 869 B6R0.4 CCCCC(=O)Cl TS32451 [1,1,0,0,0,0|2,0,0]=4 870 B6R0.4 CCCCC(=O)N TS31554 [1,1,0,0,0,0|2,0,0]=4 871 B6R0.4 CCCCC(=O)O TS03958 [1,1,0,0,0,0|1,0,0]=3 872 B6R0.4 CCCCC(=O)[O-] TS04789 [1,1,0,0,0,0|1,0,1]=4 873 B6R0.4 CCCCC(=O)[O-] TS30457 [1,1,0,0,0,0|1,0,1]=4 874 B6R0.4 CCCC[Sn](=O)O TS43570 [1,1,0,0,0,0|2,0,0]=4 875 B6R0.4 CCCNC(=O)N TS31594 [1,1,0,0,0,0|2,0,0]=4 876 B6R0.4 CCCNC(=O)[O-] TS31634 [1,1,0,0,0,0|1,0,1]=4 877 B6R0.4 CCCOC(=O)C TS03949 [1,1,0,0,0,0|2,0,0]=4 878 B6R0.4 CCCOC(=O)Cl TS55808 [1,1,0,0,0,0|2,0,0]=4 879 B6R0.4 CCCSC(=O)C TS32364 [1,1,0,0,0,0|2,0,0]=4 880 B6R0.4 CCCSC(=O)Cl TS06329 [1,1,0,0,0,0|2,0,0]=4 881 B6R0.4 CCNCC(=O)O TS01936 [1,1,0,0,0,0|1,0,0]=3 882 B6R0.4 CCOCC(=O)O TS16814 [1,1,0,0,0,0|1,0,0]=3 883 B6R0.4 CCSCC(=O)C TS32360 [1,1,0,0,0,0|2,0,0]=4 884 B6R0.4 CCSCC(=O)O TS04822 [1,1,0,0,0,0|1,0,0]=3 885 B6R0.4 CNCCC(=O)O TS03990 [1,1,0,0,0,0|1,0,0]=3 886 B6R0.4 COCCC(=O)O TS31660 [1,1,0,0,0,0|0,0,0]=2 887 B6R0.5 C(CBr)P(=O)(O)O TS16107 [1,1,0,0,0,0|2,0,0]=4 888 B6R0.5 C(CCl)P(=O)(O)O TS40255 [1,1,0,0,0,0|2,0,0]=4 889 B6R0.5 C(CP(=O)(O)O)N TS36042 [1,1,0,0,0,0|2,0,0]=4 890 B6R0.5 C(CP(=O)(O)O)O TS36098 [1,1,0,0,0,0|1,0,0]=3 891 B6R0.5 C(CS(=O)(=O)O)N TS36057 [1,1,0,0,0,0|2,0,0]=4 892 B6R0.5 C(CS(=O)(=O)O)O TS01831 [1,1,0,0,0,0|1,0,0]=3 893 B6R0.5 C(CS(=O)(=O)[O-])O TS00264 [1,1,0,0,0,0|1,0,1]=4 894 B6R0.5 C(CS(=O)(=O)[O-])O TS40070 [1,1,0,0,0,0|1,0,1]=4 895 B6R0.5 CC(C)(CCO)O TS04031 [1,1,0,0,0,0|1,0,1]=4 896 B6R0.5 CCCP(=O)(O)O TS05003 [1,1,0,0,0,0|2,0,0]=4 897 B6R0.5 CCCS(=O)(=O)O TS47023 [1,1,0,0,0,0|2,0,0]=4 898 B6R0.5 CS(=O)(=O)CCO TS05032 [1,1,0,0,0,0|1,0,1]=4 899 B6R0.8 CC(C)(CO)C=O TS56179 [1,1,0,0,0,0|1,0,0]=3 900 B6R0.8 CC(C)(CO)CO TS04036 [1,1,0,0,0,0|1,0,1]=4 901 B6R0.8 CC(CO)(CO)N TS31703 [1,1,0,0,0,0|0,0,1]=3 902 B6R0.9 CCC(CO)CO TS04037 [1,1,0,0,0,0|1,0,1]=4 903 B6R0.9 COC(CO)C=C TS03957 [1,1,0,0,0,0|2,0,0]=4 904 B6R0.7 C(=O)(C(Br)(Br)Br)O TS35941 [1,1,0,0,0,0|2,0,0]=4 905 B6R0.7 C(=O)(C(Cl)(Br)Br)O TS63142 [1,1,0,0,0,0|2,0,0]=4 906 B6R0.7 C(=O)(C(Cl)(Cl)Br)O TS20464 [1,1,0,0,0,0|2,0,0]=4 907 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O TS42644 [1,1,0,0,0,0|2,0,0]=4 908 B6R0.7 C(=O)(C(F)(Br)Br)O TS25810 [1,1,0,0,0,0|2,0,0]=4 909 B6R0.7 C(=O)(C(F)(F)Br)O TS45887 [1,1,0,0,0,0|2,0,0]=4 910 B6R0.7 C(=O)(C(F)(F)Cl)O TS55807 [1,1,0,0,0,0|2,0,0]=4 911 B6R0.7 C(=O)(C(F)(F)F)O TS04409 [1,1,0,0,0,0|2,0,0]=4 912 B6R0.7 C(=O)(C(F)(F)F)O TS51600 [1,1,0,0,0,0|2,0,0]=4 913 B6R0.7 CC(=O)C(C)(C)C TS00117 [1,1,0,0,0,0|2,0,0]=4 914 B6R0.7 CC(=O)C(C)(C)Cl TS32448 [1,1,0,0,0,0|2,0,0]=4 915 B6R0.7 CC(=O)C(C)(C)O TS31591 [1,1,0,0,0,0|2,0,0]=4 916 B6R0.7 CC(C(=O)N)(F)F TS31789 [1,1,0,0,0,0|2,0,0]=4 917 B6R0.7 CC(C(=O)O)(Cl)Cl TS06816 [1,1,0,0,0,0|1,0,0]=3 918 B6R0.7 CC(C(=O)O)(F)F TS04179 [1,1,0,0,0,0|1,0,0]=3 919 B6R0.7 CC(C(=O)[O-])(Cl)Cl TS42839 [1,1,0,0,0,0|1,0,1]=4 920 B6R0.7 CC(C)(C(=O)Br)Br TS55080 [1,1,0,0,0,0|2,0,0]=4 921 B6R0.7 CC(C)(C(=O)Cl)Cl TS06549 [1,1,0,0,0,0|2,0,0]=4 922 B6R0.7 CC(C)(C(=O)N)Br TS42985 [1,1,0,0,0,0|2,0,0]=4 923 B6R0.7 CC(C)(C(=O)N)O TS03994 [1,1,0,0,0,0|2,0,0]=4 924 B6R0.7 CC(C)(C(=O)O)Br TS12333 [1,1,0,0,0,0|1,0,0]=3 925 B6R0.7 CC(C)(C(=O)O)F TS31729 [1,1,0,0,0,0|1,0,0]=3 926 B6R0.7 CC(C)(C(=O)O)N TS59938 [1,1,0,0,0,0|0,0,0]=2 927 B6R0.7 CC(C)(C(=O)O)O TS39665 [1,1,0,0,0,0|1,0,0]=3 928 B6R0.7 CC(C)(C(=O)O)S TS16701 [1,1,0,0,0,0|1,0,0]=3 929 B6R0.7 CC(C)(C)C(=O)Cl TS39623 [1,1,0,0,0,0|2,0,0]=4 930 B6R0.7 CC(C)(C)C(=O)N TS03907 [1,1,0,0,0,0|2,0,0]=4 931 B6R0.7 CC(C)(C)C(=O)O TS59813 [1,1,0,0,0,0|1,0,0]=3 932 B6R0.7 CC(C)(C)C(=O)[O-] TS37551 [1,1,0,0,0,0|1,0,1]=4 933 B6R0.7 CC(C)(C)C(=O)[O-] TS93485 [1,1,0,0,0,0|1,0,1]=4 934 B6R0.7 CC(C)(C)C(=S)O TS32363 [1,1,0,0,0,0|1,1,0]=4 935 B6R0.7 CC(C)P(=O)(O)O TS05004 [1,1,0,0,0,0|2,0,0]=4 936 B6R0.7 CC(N)P(=O)(O)O TS36041 [1,1,0,0,0,0|1,0,0]=3 937 B8R0.2 C([C@@H]([C@H](C(=O)[O-])O)O)O TS58505 [0,1,0,0,0,1|1,0,1]=4 938 B8R0.2 C([C@@H]([C@H](C(=O)[O-])O)O)O TS63519 [0,1,0,0,0,1|1,0,1]=4 939 B8R0.2 CCC(C(C(=O)O)N)O TS05812 [0,1,0,0,0,1|2,0,0]=4 940 B8R0.2 CCC(C)C(=O)C(=O)O TS05535 [0,1,0,0,0,1|2,0,0]=4 941 B8R0.2 CCC(C)C(C(=O)O)Br TS51945 [0,1,0,0,0,1|2,0,0]=4 942 B8R0.2 CCC(C)C(C(=O)O)N TS05653 [0,1,0,0,0,1|2,0,0]=4 943 B8R0.2 CCC(C)C(C(=O)O)N TS36597 [0,1,0,0,0,1|2,0,0]=4 944 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N TS05657 [0,1,0,0,0,1|2,0,0]=4 945 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N TS36608 [0,1,0,0,0,1|2,0,0]=4 946 B8R0.2 CC[C@@H]([C@@H](C(=O)O)Br)Br TS68327 [0,1,0,0,0,1|2,0,0]=4 947 B8R0.2 CC[C@@H]([C@@H](C(=O)O)N)O TS05821 [0,1,0,0,0,1|2,0,0]=4 948 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)Cl TS09971 [0,1,0,0,0,1|2,0,0]=4 949 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N TS09198 [0,1,0,0,0,1|2,0,0]=4 950 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N TS01766 [0,1,0,0,0,1|2,0,0]=4 951 B8R0.2 CC[C@H]([C@H](C(=O)O)N)O TS05820 [0,1,0,0,0,1|2,0,0]=4 952 B8R0.5 C#CC[C@@H](CC(=O)O)N TS11763 [0,1,0,0,0,1|1,0,0]=3 953 B8R0.5 C=CC[C@@H](CC(=O)O)N TS42977 [0,1,0,0,0,1|1,0,0]=3 954 B8R0.5 C=CC[C@H](CC(=O)O)N TS42972 [0,1,0,0,0,1|1,0,0]=3 955 B8R0.5 CC(COC)OC(=O)C TS05714 [0,1,0,0,0,1|2,0,0]=4 956 B8R0.5 CCCC(C)CC(=O)O TS05545 [0,1,0,0,0,1|2,0,0]=4 957 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [0,1,0,0,0,1|2,0,0]=4 958 B8R0.19 CCC(C)CC(=O)OC TS36498 [0,1,0,0,0,1|2,0,0]=4 959 B8R0.19 CC[C@@H](CC(=O)OC)O TS64924 [0,1,0,0,0,1|2,0,0]=4 960 B8R0.19 CC[C@H](CC(=O)OC)O TS05724 [0,1,0,0,0,1|2,0,0]=4 961 B8R0.19 COC(=O)CC(CCl)O TS22838 [0,1,0,0,0,1|2,0,0]=4 962 B8R0.19 COC(=O)C[C@@H](CCl)O TS10244 [0,1,0,0,0,1|2,0,0]=4 963 B8R0.19 COC(=O)C[C@@H](CO)O TS05870 [0,1,0,0,0,1|1,0,0]=3 964 B8R0.19 COC(=O)C[C@H](CCl)O TS10243 [0,1,0,0,0,1|2,0,0]=4 965 B8R0.23 C(C(C(=O)O)Br)C(=O)O TS53789 [0,1,0,0,0,1|1,0,1]=4 966 B8R0.23 C(C(C(=O)O)Cl)C(=O)O TS10241 [0,1,0,0,0,1|1,0,1]=4 967 B8R0.23 C(C(C(=O)O)N)C(=O)N TS36641 [0,1,0,0,0,1|1,0,1]=4 968 B8R0.23 C(C(C(=O)O)N)C(=O)N TS40817 [0,1,0,0,0,1|1,0,1]=4 969 B8R0.23 C(C(C(=O)O)O)C(=O)O TS05865 [0,1,0,0,0,1|1,0,1]=4 970 B8R0.23 C(C(C(=O)O)O)C(=O)O TS23073 [0,1,0,0,0,1|1,0,1]=4 971 B8R0.23 C(C(C(=O)O)S)C(=O)O TS09847 [0,1,0,0,0,1|1,0,1]=4 972 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O TS36647 [0,1,0,0,0,1|0,0,2]=4 973 B8R0.23 C([C@@H](C(=O)O)Br)C(=O)O TS53790 [0,1,0,0,0,1|1,0,1]=4 974 B8R0.23 C([C@@H](C(=O)O)Cl)C(=O)O TS10240 [0,1,0,0,0,1|1,0,1]=4 975 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O TS05808 [0,1,0,0,0,1|0,0,1]=3 976 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O TS77146 [0,1,0,0,0,1|0,0,1]=3 977 B8R0.23 C([C@@H](C(=O)O)N)S(=O)O TS41261 [0,1,0,0,0,1|1,0,1]=4 978 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O TS05866 [0,1,0,0,0,1|1,0,1]=4 979 B8R0.23 C([C@H](C(=O)N)N)C(=O)O TS36642 [0,1,0,0,0,1|0,0,2]=4 980 B8R0.23 C([C@H](C(=O)O)Cl)C(=O)O TS10242 [0,1,0,0,0,1|1,0,1]=4 981 B8R0.23 C([C@H](C(=O)O)N)C(=O)O TS93443 [0,1,0,0,0,1|0,0,1]=3 982 B8R0.23 C([C@H](C(=O)O)O)C(=O)O TS01888 [0,1,0,0,0,1|1,0,1]=4 983 B8R0.23 CC(C)C(CC(=O)O)N TS36592 [0,1,0,0,0,1|1,0,0]=3 984 B8R0.23 CC(C)[C@@H](CC(=O)O)N TS36595 [0,1,0,0,0,1|1,0,0]=3 985 B8R0.23 CC(C)[C@H](CC(=O)O)N TS36600 [0,1,0,0,0,1|1,0,0]=3 986 B8R0.23 CC(CC(=O)O)C(=O)O TS00108 [0,1,0,0,0,1|1,0,1]=4 987 B8R0.23 C[C@@H](CC(=O)O)C(=O)O TS05707 [0,1,0,0,0,1|1,0,1]=4 988 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O TS45051 [0,1,0,0,0,1|0,0,0]=2 989 B8R0.23 C[C@H](CC(=O)O)C(=O)O TS05708 [0,1,0,0,0,1|1,0,1]=4 990 B8R0.34 CCC(C)(CC(=O)O)O TS05719 [0,1,0,0,0,1|2,0,0]=4 991 B8R0.3 C(C=O)[C@@H]([C@@H](CO)O)O TS00985 [0,2,0,0,0,0|1,0,1]=4 992 B8R0.3 C(C=O)[C@H]([C@H](CO)O)O TS39271 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.3 CC(CCCl)C(=O)OC TS09965 [0,2,0,0,0,0|2,0,0]=4 994 B8R0.3 CC(CCN)C(=O)CO TS36604 [0,2,0,0,0,0|2,0,0]=4 995 B8R0.3 CCC(C(=O)OCC)Br TS51943 [0,2,0,0,0,0|2,0,0]=4 996 B8R0.3 CCC(C(=O)OCC)N TS05659 [0,2,0,0,0,0|1,0,0]=3 997 B8R0.3 CCC(C(=O)OCC)O TS05723 [0,2,0,0,0,0|2,0,0]=4 998 B8R0.3 CCC(C)C(=O)OCC TS36496 [0,2,0,0,0,0|2,0,0]=4 999 B8R0.3 CCCC(C(=NO)O)N TS36674 [0,2,0,0,0,0|1,0,1]=4 1000 B8R0.3 CCCC(C(=O)OC)Br TS93475 [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.3 CCCC(C)C(=O)OC TS05547 [0,2,0,0,0,0|2,0,0]=4 1002 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [0,2,0,0,0,0|1,0,0]=3 1003 B8R0.3 CCOC(=O)C(=C)CO TS08483 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.3 CCOC(=O)C(CBr)Br TS08484 [0,2,0,0,0,0|2,0,0]=4 1005 B8R0.3 CCOC(=O)C(CCl)Cl TS12952 [0,2,0,0,0,0|2,0,0]=4 1006 B8R0.3 CCOC(=O)[C@@H](CO)N TS45049 [0,2,0,0,0,0|0,0,0]=2 1007 B8R0.3 CCOC(=O)[C@H](CO)N TS45053 [0,2,0,0,0,0|0,0,0]=2 1008 B8R0.3 CCOC(=O)[C@H](CS)N TS15539 [0,2,0,0,0,0|0,1,0]=3 1009 B8R0.3 COC(=O)C(CCBr)Br TS68328 [0,2,0,0,0,0|2,0,0]=4 1010 B8R0.3 COC(=O)[C@H](CC#C)N TS11767 [0,2,0,0,0,0|1,0,0]=3 1011 B8R0.3 COCC(C(=O)OC)Br TS53797 [0,2,0,0,0,0|1,0,0]=3 1012 B8R0.3 C[C@H](C[Zn]Br)C(=O)OC TS62341 [0,2,0,0,0,0|2,0,0]=4 1013 B8R0.8 C(CC(C(=O)O)N)CN TS12622 [0,2,0,0,0,0|1,0,0]=3 1014 B8R0.8 C(CC(C(=O)O)N)CN TS21454 [0,2,0,0,0,0|1,0,0]=3 1015 B8R0.8 C(CC(C(=O)O)N)CN TS38757 [0,2,0,0,0,0|1,0,0]=3 1016 B8R0.8 C(CON)C(C(=O)O)N TS39138 [0,2,0,0,0,0|0,0,0]=2 1017 B8R0.8 C(CON)[C@@H](C(=O)O)N TS36804 [0,2,0,0,0,0|0,0,0]=2 1018 B8R0.8 C(CON)[C@H](C(=O)O)N TS36805 [0,2,0,0,0,0|0,0,0]=2 1019 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS07674 [0,2,0,0,0,0|1,0,0]=3 1020 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS36671 [0,2,0,0,0,0|1,0,0]=3 1021 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS51453 [0,2,0,0,0,0|1,0,0]=3 1022 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS74512 [0,2,0,0,0,0|1,0,0]=3 1023 B8R0.8 C(C[C@H](C(=O)O)N)CN TS12623 [0,2,0,0,0,0|1,0,0]=3 1024 B8R0.8 CCCCC(C(=O)N)N TS43162 [0,2,0,0,0,0|2,0,0]=4 1025 B8R0.8 CCCCC(C(=O)O)Br TS51947 [0,2,0,0,0,0|2,0,0]=4 1026 B8R0.8 CCCCC(C(=O)O)N TS05663 [0,2,0,0,0,0|1,0,0]=3 1027 B8R0.8 CCCCC(C(=O)O)O TS05717 [0,2,0,0,0,0|2,0,0]=4 1028 B8R0.8 CCCCC(C)C(=O)O TS05567 [0,2,0,0,0,0|2,0,0]=4 1029 B8R0.8 CCCC[C@@H](C(=O)N)N TS43160 [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [0,2,0,0,0,0|1,0,0]=3 1031 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [0,2,0,0,0,0|1,0,0]=3 1032 B8R0.8 CCSC[C@@H](C(=O)O)N TS07588 [0,2,0,0,0,0|0,1,0]=3 1033 B8R0.8 CSCCC(C(=O)O)N TS37819 [0,2,0,0,0,0|0,1,0]=3 1034 B8R0.8 CSCCC(C(=O)O)N TS61974 [0,2,0,0,0,0|0,1,0]=3 1035 B8R0.8 CSCCC(C(=O)O)O TS65052 [0,2,0,0,0,0|1,1,0]=4 1036 B8R0.8 CSCC[C@@H](C(=O)N)N TS07498 [0,2,0,0,0,0|1,1,0]=4 1037 B8R0.8 CSCC[C@@H](C(=O)N)N TS15401 [0,2,0,0,0,0|1,1,0]=4 1038 B8R0.8 CSCC[C@@H](C(=O)O)N TS07583 [0,2,0,0,0,0|0,1,0]=3 1039 B8R0.8 CSCC[C@@H](C(=O)O)N TS09902 [0,2,0,0,0,0|0,1,0]=3 1040 B8R0.8 CSCC[C@@H](C(=O)O)N TS35372 [0,2,0,0,0,0|0,1,0]=3 1041 B8R0.8 CSCC[C@@H](C(=O)O)N TS93972 [0,2,0,0,0,0|0,1,0]=3 1042 B8R0.8 CSCC[C@H](C(=O)[O-])N TS12996 [0,2,0,0,0,0|0,1,1]=4 1043 B8R0.8 C[Se]CCC(C(=O)O)N TS53596 [0,2,0,0,0,0|0,1,0]=3 1044 B8R0.8 C[Se]CCC(C(=O)O)N TS93321 [0,2,0,0,0,0|0,1,0]=3 1045 B8R0.8 C[Se]CC[C@@H](C(=O)O)N TS64910 [0,2,0,0,0,0|0,1,0]=3 1046 B8R0.12 CC(C)(CC=C)C(=O)O TS47119 [0,2,0,0,0,0|2,0,0]=4 1047 B8R0.12 CC(C)(CCN)C(=O)O TS08864 [0,2,0,0,0,0|2,0,0]=4 1048 B8R0.12 CCCC(C)(C(=O)O)N TS36607 [0,2,0,0,0,0|1,0,0]=3 1049 B8R0.12 CCC[C@](C)(C(=O)O)N TS05655 [0,2,0,0,0,0|1,0,0]=3 1050 B8R0.12 COCC(C(=O)O)(F)F TS92673 [0,2,0,0,0,0|1,0,0]=3 1051 B8R0.12 C[C@@](CC=C)(C(=O)O)N TS36398 [0,2,0,0,0,0|1,0,0]=3 1052 B8R0.12 C[C@](CC=C)(C(=O)O)N TS05452 [0,2,0,0,0,0|1,0,0]=3 1053 B8R0.14 CCCC(N)P(=O)(O)O TS10282 [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.15 CCC(C(=O)O)NC=O TS05645 [0,2,0,0,0,0|1,0,0]=3 1055 B8R0.15 CCC[C@@H](C(=O)O)NC TS36587 [0,2,0,0,0,0|1,0,0]=3 1056 B8R0.15 CCC[C@@H](CO)C(=O)O TS36660 [0,2,0,0,0,0|1,0,0]=3 1057 B8R0.13 CC(C)(CCl)C(=O)NO TS41062 [0,2,0,0,0,0|2,0,0]=4 1058 B8R0.13 CC(C)(CO)C(=O)OC TS36661 [0,2,0,0,0,0|1,0,0]=3 1059 B8R0.13 CCC(C)(C(=O)OC)N TS43282 [0,2,0,0,0,0|1,0,0]=3 1060 B8R0.13 CC[C@@](C)(C(=O)OC)N TS12445 [0,2,0,0,0,0|1,0,0]=3 1061 B8R0.13 CC[C@](C)(C(=O)OC)N TS12450 [0,2,0,0,0,0|1,0,0]=3 1062 B8R0.20 CCC(C(=O)OC)SC TS07492 [0,2,0,0,0,0|2,0,0]=4 1063 B8R0.20 COC(=O)C(CBr)CBr TS02304 [0,2,0,0,0,0|2,0,0]=4 1064 B8R0.20 COC(=[SeH]C)[C@H](CS)N TS25285 [0,2,0,0,0,0|0,2,0]=4 1065 B8R0.17 CCC(C)(N)P(=O)(O)O TS45277 [0,2,0,0,0,0|2,0,0]=4 1066 B8R0.36 CC(CCl)(CCl)C(=O)O TS12953 [0,2,0,0,0,0|2,0,0]=4 1067 B8R0.36 CC(CO)(CO)C(=O)O TS05873 [0,2,0,0,0,0|1,0,0]=3 1068 B8R0.36 CCC(C)(CC)C(=O)O TS05564 [0,2,0,0,0,0|2,0,0]=4 1069 B8R0.36 CCC(CC)(C(=O)O)Br TS51944 [0,2,0,0,0,0|2,0,0]=4 1070 B8R0.36 CCC(CC)(C(=O)O)N TS36598 [0,2,0,0,0,0|1,0,0]=3 1071 B8R0.36 CCC(CC)(C(=O)O)O TS05709 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.37 C(C(C(=O)O)(F)F)(F)Br TS20306 [0,2,0,0,0,0|2,0,0]=4 1073 B8R0.37 C(C(C(=O)O)(F)F)(F)F TS40355 [0,2,0,0,0,0|2,0,0]=4 1074 B8R0.37 CC(C)(C(=O)O)C(=O)O TS05705 [0,2,0,0,0,0|1,0,1]=4 1075 B8R0.37 CC(C)C(C)(C(=O)N)N TS47346 [0,2,0,0,0,0|2,0,0]=4 1076 B8R0.37 CC(C)C(C)(C(=O)O)N TS36603 [0,2,0,0,0,0|1,0,0]=3 1077 B8R0.37 CC(C)[C@@](C)(C(=O)O)N TS08011 [0,2,0,0,0,0|1,0,0]=3 1078 B8R0.37 CC(C)[C@](C)(C(=O)N)N TS36527 [0,2,0,0,0,0|2,0,0]=4 1079 B8R0.27 C(C(=O)O)(C(F)(F)F)F TS40354 [0,2,0,0,0,0|2,0,0]=4 1080 B8R0.27 C(C(=O)O)(C(F)(F)F)N TS06823 [0,2,0,0,0,0|1,0,0]=3 1081 B8R0.27 C(C(=O)O)(C(F)(F)F)N TS47789 [0,2,0,0,0,0|1,0,0]=3 1082 B8R0.27 C(C(=O)O)(C(F)(F)F)O TS65719 [0,2,0,0,0,0|2,0,0]=4 1083 B8R0.27 CC(C(=O)O)C(C)(C)C TS05541 [0,2,0,0,0,0|2,0,0]=4 1084 B8R0.27 CC(C)(C(C(=O)O)N)F TS05984 [0,2,0,0,0,0|1,0,0]=3 1085 B8R0.27 CC(C)(C(C(=O)O)N)O TS05818 [0,2,0,0,0,0|0,0,0]=2 1086 B8R0.27 CC(C)(C(C(=O)O)N)S TS07587 [0,2,0,0,0,0|0,1,0]=3 1087 B8R0.27 CC(C)(C)C(C(=O)O)N TS36606 [0,2,0,0,0,0|1,0,0]=3 1088 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TS12451 [0,2,0,0,0,0|1,0,0]=3 1089 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TS56213 [0,2,0,0,0,0|1,0,0]=3 1090 B8R0.27 CC(C)(C)[C@@H](C(=O)O)O TS08012 [0,2,0,0,0,0|2,0,0]=4 1091 B8R0.27 CC(C)(C)[C@H](C(=O)O)O TS08088 [0,2,0,0,0,0|2,0,0]=4 1092 B8R0.27 CC(C)([C@@H](C(=O)O)N)O TS08122 [0,2,0,0,0,0|0,0,0]=2 1093 B8R0.27 CC(C)([C@@H](C(=O)O)N)S TS07586 [0,2,0,0,0,0|0,1,0]=3 1094 B8R0.27 CC(C)([C@H](C(=O)O)N)O TS46604 [0,2,0,0,0,0|0,0,0]=2 1095 B8R0.27 CC(C)([C@H](C(=O)O)N)S TS15540 [0,2,0,0,0,0|0,1,0]=3 1096 B8R0.27 CC(C)([C@H](C(=O)O)N)S TS59992 [0,2,0,0,0,0|0,1,0]=3 1097 B8R0.27 CC(C)C(N)P(=O)(O)O TS10284 [0,2,0,0,0,0|2,0,0]=4 1098 B8R0.27 [C@H](C(=O)O)(C(F)(F)F)O TS40141 [0,2,0,0,0,0|2,0,0]=4 1099 B8R0.18 CC(C)C(C(=O)O)NC TS43283 [0,2,0,0,0,0|1,0,0]=3 1100 B8R0.18 CCC(C(=O)O)C(=O)O TS01464 [0,2,0,0,0,0|1,0,1]=4 1101 B8R0.18 C[C@H]([C@@H](C(=O)O)NC)O TS36744 [0,2,0,0,0,0|0,0,0]=2 1102 B6R1.2 C1C(=O)O[Pt]O1 TS23018 [1,0,0,1,0,0|2,0,0]=4 1103 B6R1.2 C1CC(=O)C=C1 TS00977 [1,0,0,1,0,0|2,0,0]=4 1104 B6R1.2 C1CC(=O)NC1 TS39938 [1,0,0,1,0,0|2,0,0]=4 1105 B6R1.2 C1CC(=O)NC1 TS63365 [1,0,0,1,0,0|2,0,0]=4 1106 B6R1.2 C1CC(=O)SC1 TS31607 [1,0,0,1,0,0|1,1,0]=4 1107 B6R1.2 C1CCC(=O)C1 TS03493 [1,0,0,1,0,0|2,0,0]=4 1108 B6R1.2 C1CNCC1=O TS88446 [1,0,0,1,0,0|2,0,0]=4 1109 B6R1.2 C1CNNC1=O TS04946 [1,0,0,1,0,0|2,0,0]=4 1110 B6R1.2 C1COC(=O)N1 TS03552 [1,0,0,1,0,0|2,0,0]=4 1111 B6R1.2 C1COC(=O)O1 TS71793 [1,0,0,1,0,0|2,0,0]=4 1112 B6R1.2 C1COCC1=O TS01440 [1,0,0,1,0,0|1,0,0]=3 1113 B6R1.2 C1COCC1O TS06712 [1,0,0,1,0,0|1,0,1]=4 1114 B6R1.2 C1COCC1O TS59434 [1,0,0,1,0,0|1,0,1]=4 1115 B6R1.2 C1COCC1O TS89114 [1,0,0,1,0,0|1,0,1]=4 1116 B6R1.2 C1COC[C@@H]1O TS01967 [1,0,0,1,0,0|1,0,1]=4 1117 B6R1.2 C1COC[C@H]1O TS59862 [1,0,0,1,0,0|1,0,1]=4 1118 B6R1.2 C1CSCC1=O TS81072 [1,0,0,1,0,0|1,1,0]=4 1119 B6R1.5 C1C(CC1=O)Br TS90589 [1,0,0,1,0,0|2,0,0]=4 1120 B6R1.5 C1C(CC1=O)F TS92277 [1,0,0,1,0,0|2,0,0]=4 1121 B6R1.5 C1C(CC1=O)N TS88191 [1,0,0,1,0,0|2,0,0]=4 1122 B6R1.5 C=C1CC(=O)O1 TS55716 [1,0,0,1,0,0|1,0,1]=4 1123 B6R1.5 CC1CC(=O)N1 TS71735 [1,0,0,1,0,0|2,0,0]=4 1124 B6R1.8 C=C1CC1CO TS03490 [1,0,0,1,0,0|2,0,0]=4 1125 B6R1.11 C1C(O1)C(=O)N TS03556 [1,0,0,1,0,0|1,0,0]=3 1126 B6R1.11 C1C(O1)C(=O)O TS71796 [1,0,0,1,0,0|0,0,0]=2 1127 B6R1.11 C1CC1C(=O)Cl TS22948 [1,0,0,1,0,0|2,0,0]=4 1128 B6R1.11 C1CC1C(=O)N TS55831 [1,0,0,1,0,0|2,0,0]=4 1129 B6R1.11 C1CC1C(=O)O TS55832 [1,0,0,1,0,0|1,0,0]=3 1130 B6R1.11 C1[C@H](N1)C(=O)[O-] TS71873 [1,0,0,1,0,0|1,0,1]=4 1131 B6R1.11 CC(=O)C1CC1 TS39597 [1,0,0,1,0,0|2,0,0]=4 1132 B6R1.11 CC(=O)C1CO1 TS03532 [1,0,0,1,0,0|1,0,0]=3 1133 B6R1.6 C1C(CO1)CO TS90138 [1,0,0,1,0,0|1,0,1]=4 1134 B6R1.6 C1CC(C1)C=O TS03489 [1,0,0,1,0,0|2,0,0]=4 1135 B6R1.6 C1CNC1CO TS88277 [1,0,0,1,0,0|1,0,1]=4 1136 B6R1.6 C1CN[C@H]1CO TS86313 [1,0,0,1,0,0|1,0,1]=4 1137 B6R1.7 C1CC1(CO)N TS46848 [1,0,0,1,0,0|1,0,1]=4 1138 B8R1.1 C1=CC(=O)O[C@@H]1CO TS32034 [0,0,0,1,0,1|2,0,0]=4 1139 B8R1.1 C1=CC(=O)O[C@H]1CO TS32043 [0,0,0,1,0,1|2,0,0]=4 1140 B8R1.1 C1C(CNC1=O)CO TS89668 [0,0,0,1,0,1|2,0,0]=4 1141 B8R1.1 C1C(OC(=O)O1)CO TS04697 [0,0,0,1,0,1|1,0,0]=3 1142 B8R1.1 C1CC(=O)N[C@@H]1CO TS00316 [0,0,0,1,0,1|2,0,0]=4 1143 B8R1.1 C1CC(=O)O[C@@H]1CO TS00317 [0,0,0,1,0,1|2,0,0]=4 1144 B8R1.1 C1CC(=O)O[C@H]1CO TS39983 [0,0,0,1,0,1|2,0,0]=4 1145 B8R1.4 C1CNC(=O)CC1N TS02971 [0,0,0,1,0,1|2,0,0]=4 1146 B8R1.4 CC1CCOC(=O)C1 TS32063 [0,0,0,1,0,1|2,0,0]=4 1147 B8R1.4 C[C@@H]1COCC(=O)N1 TS04524 [0,0,0,1,0,1|2,0,0]=4 1148 B8R1.18 C1(C(NC(=O)N1)O)O TS04700 [0,0,0,1,0,1|2,0,0]=4 1149 B8R1.18 C1(C(OC(=O)O1)Cl)Cl TS02897 [0,0,0,1,0,1|2,0,0]=4 1150 B8R1.18 CC1=CC(=O)OC1O TS32042 [0,0,0,1,0,1|1,0,1]=4 1151 B8R1.34 C1C(CN1)CC(=O)O TS87434 [0,0,0,1,0,1|2,0,0]=4 1152 B8R1.34 C1C(CO1)CC(=O)O TS86855 [0,0,0,1,0,1|1,0,0]=3 1153 B8R1.34 C1CC(C1)CC(=O)O TS32065 [0,0,0,1,0,1|2,0,0]=4 1154 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,1,0,1,0,0|2,0,0]=4 1155 B8R1.5 C1COCC(C1=O)Br TS87523 [0,1,0,1,0,0|2,0,0]=4 1156 B8R1.5 C1COCC(C1=O)F TS90072 [0,1,0,1,0,0|2,0,0]=4 1157 B8R1.5 C1COC[C@@H]([C@H]1O)N TS88734 [0,1,0,1,0,0|1,0,1]=4 1158 B8R1.5 C1COC[C@H]([C@@H]1N)O TS89107 [0,1,0,1,0,0|1,0,1]=4 1159 B8R1.5 C1COC[C@H]([C@@H]1O)N TS90817 [0,1,0,1,0,0|1,0,1]=4 1160 B8R1.5 C1COC[C@H]([C@H]1N)O TS90200 [0,1,0,1,0,0|1,0,1]=4 1161 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,1,0,1,0,0|2,0,0]=4 1162 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,1,0,1,0,0|2,0,0]=4 1163 B8R1.5 CC1COCCC1=O TS89718 [0,1,0,1,0,0|2,0,0]=4 1164 B8R1.7 C1C(NCS1)C(=O)O TS05827 [0,1,0,1,0,0|0,1,0]=3 1165 B8R1.7 C1C=CC(N1)C(=O)O TS39629 [0,1,0,1,0,0|1,0,1]=4 1166 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [0,1,0,1,0,0|2,0,0]=4 1167 B8R1.7 C1C=CCC1C(=O)O TS16735 [0,1,0,1,0,0|2,0,0]=4 1168 B8R1.7 C1CC(NC1)C(=O)N TS39860 [0,1,0,1,0,0|2,0,0]=4 1169 B8R1.7 C1CC(NC1)C(=O)O TS04527 [0,1,0,1,0,0|1,0,0]=3 1170 B8R1.7 C1CC(OC1)C(=O)O TS65650 [0,1,0,1,0,0|2,0,0]=4 1171 B8R1.7 C1CCC(C1)C(=O)O TS55824 [0,1,0,1,0,0|2,0,0]=4 1172 B8R1.7 C1CNCC1C(=O)N TS32074 [0,1,0,1,0,0|2,0,0]=4 1173 B8R1.7 C1CNCC1C(=O)N TS85947 [0,1,0,1,0,0|2,0,0]=4 1174 B8R1.7 C1CNCC1C(=O)O TS22734 [0,1,0,1,0,0|1,0,0]=3 1175 B8R1.7 C1CNC[C@@H]1C(=O)N TS86748 [0,1,0,1,0,0|2,0,0]=4 1176 B8R1.7 C1CNC[C@@H]1C(=O)O TS04526 [0,1,0,1,0,0|1,0,0]=3 1177 B8R1.7 C1CNC[C@H]1C(=O)N TS87104 [0,1,0,1,0,0|2,0,0]=4 1178 B8R1.7 C1CNC[C@H]1C(=O)N TS90204 [0,1,0,1,0,0|2,0,0]=4 1179 B8R1.7 C1CNC[C@H]1C(=O)O TS85658 [0,1,0,1,0,0|1,0,0]=3 1180 B8R1.7 C1COC=C1C(=O)O TS32035 [0,1,0,1,0,0|1,0,1]=4 1181 B8R1.7 C1COCC1C(=O)N TS88172 [0,1,0,1,0,0|2,0,0]=4 1182 B8R1.7 C1COCC1C(=O)O TS59430 [0,1,0,1,0,0|1,0,0]=3 1183 B8R1.7 C1COC[C@@H]1C(=O)O TS08087 [0,1,0,1,0,0|1,0,0]=3 1184 B8R1.7 C1COC[C@H]1C(=O)O TS32191 [0,1,0,1,0,0|1,0,0]=3 1185 B8R1.7 C1CSC(N1)C(=O)O TS05828 [0,1,0,1,0,0|1,0,0]=3 1186 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [0,1,0,1,0,0|2,0,0]=4 1187 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [0,1,0,1,0,0|2,0,0]=4 1188 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [0,1,0,1,0,0|1,0,0]=3 1189 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [0,1,0,1,0,0|1,0,0]=3 1190 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [0,1,0,1,0,0|2,0,0]=4 1191 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [0,1,0,1,0,0|2,0,0]=4 1192 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [0,1,0,1,0,0|2,0,0]=4 1193 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [0,1,0,1,0,0|1,0,0]=3 1194 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [0,1,0,1,0,0|2,0,0]=4 1195 B8R1.7 C1[C@@H](NCS1)C(=O)O TS05829 [0,1,0,1,0,0|0,1,0]=3 1196 B8R1.19 CC1(CCOC1=O)Br TS47654 [0,1,0,1,0,0|2,0,0]=4 1197 B8R1.19 CC1(CCOC1=O)C TS55730 [0,1,0,1,0,0|2,0,0]=4 1198 B8R1.23 C1C(CC1=O)C(=O)O TS31990 [0,1,0,1,0,0|1,0,1]=4 1199 B8R1.23 C1C(CC1=O)C(=O)O TS70699 [0,1,0,1,0,0|1,0,1]=4 1200 B8R1.23 C1C(CC1Cl)C(=O)O TS05939 [0,1,0,1,0,0|2,0,0]=4 1201 B8R1.23 C1C(CC1F)C(=O)O TS88107 [0,1,0,1,0,0|2,0,0]=4 1202 B8R1.23 C1C(CC1O)C(=O)O TS89594 [0,1,0,1,0,0|1,0,0]=3 1203 B8R1.23 C1C(NC1=O)C(=O)O TS04513 [0,1,0,1,0,0|0,0,1]=3 1204 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N TS01385 [0,1,0,1,0,0|2,0,0]=4 1205 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N TS89298 [0,1,0,1,0,0|2,0,0]=4 1206 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O TS91710 [0,1,0,1,0,0|1,0,0]=3 1207 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N TS59457 [0,1,0,1,0,0|2,0,0]=4 1208 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N TS90983 [0,1,0,1,0,0|2,0,0]=4 1209 B8R1.23 C1[C@@H](NC1=O)C(=O)O TS89740 [0,1,0,1,0,0|0,0,1]=3 1210 B8R1.23 C1[C@H](NC1=O)C(=O)O TS32146 [0,1,0,1,0,0|0,0,1]=3 1211 B8R1.23 C=C1CC(C1)C(=O)O TS60352 [0,1,0,1,0,0|2,0,0]=4 1212 B8R1.23 C=C1CC(C1)C(=O)O TS89475 [0,1,0,1,0,0|2,0,0]=4 1213 B8R1.23 CC1CC(C1)C(=O)O TS88279 [0,1,0,1,0,0|2,0,0]=4 1214 B8R1.23 CN1CC(C1)C(=O)O TS89334 [0,1,0,1,0,0|2,0,0]=4 1215 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O TS89006 [0,1,0,1,0,0|2,0,0]=4 1216 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O TS89005 [0,1,0,1,0,0|2,0,0]=4 1217 B8R1.54 C1CC1C(C(=O)O)N TS04522 [0,1,0,1,0,0|1,0,0]=3 1218 B8R1.54 C1CC1[C@@H](C(=O)O)N TS01520 [0,1,0,1,0,0|1,0,0]=3 1219 B8R1.54 C1CC1[C@H](C(=O)O)N TS04532 [0,1,0,1,0,0|1,0,0]=3 1220 B8R1.78 C1C(CN1)(C(=O)O)F TS92466 [0,1,0,1,0,0|2,0,0]=4 1221 B8R1.78 C1C(CN1)(C(=O)O)N TS86770 [0,1,0,1,0,0|1,0,0]=3 1222 B8R1.78 C1C(CO1)(C(=O)O)N TS88650 [0,1,0,1,0,0|0,0,0]=2 1223 B8R1.78 C1C(CS1)(C(=O)O)N TS87825 [0,1,0,1,0,0|0,1,0]=3 1224 B8R1.78 C1CC(C1)(C(=O)O)N TS91061 [0,1,0,1,0,0|1,0,0]=3 1225 B8R1.78 C1CC(C1)(C(=O)O)N TS93561 [0,1,0,1,0,0|1,0,0]=3 1226 B8R1.78 C1CC(C1)(C(=O)O)N TS93562 [0,1,0,1,0,0|1,0,0]=3 1227 B8R1.78 CC(=O)C1(COC1)C TS87928 [0,1,0,1,0,0|2,0,0]=4 1228 B8R1.78 CC1(CCC1)C(=O)O TS85793 [0,1,0,1,0,0|2,0,0]=4 1229 B8R1.78 CC1(COC1)C(=O)O TS32182 [0,1,0,1,0,0|1,0,0]=3 1230 B8R1.11 C1C(C(=O)CO1)C#N TS92869 [0,1,0,1,0,0|1,0,1]=4 1231 B8R1.38 COC(=O)C1CCC1 TS32060 [0,1,0,1,0,0|2,0,0]=4 1232 B8R1.38 COC(=O)C1CCN1 TS01748 [0,1,0,1,0,0|1,0,0]=3 1233 B8R1.38 COC(=O)C1CNC1 TS41065 [0,1,0,1,0,0|2,0,0]=4 1234 B8R1.38 COC(=O)[C@@H]1CCN1 TS86979 [0,1,0,1,0,0|1,0,0]=3 1235 B8R1.38 COC(=O)[C@H]1CCN1 TS91415 [0,1,0,1,0,0|1,0,0]=3 1236 B8R1.39 CC1(CC1)C(=O)OC TS60140 [0,1,0,1,0,0|2,0,0]=4 1237 B8R1.39 CC1(CO1)C(=O)OC TS32184 [0,1,0,1,0,0|1,0,0]=3 1238 B8R1.39 COC(=O)C1(CC1)Br TS94672 [0,1,0,1,0,0|2,0,0]=4 1239 B8R1.39 COC(=O)C1(CC1)N TS04521 [0,1,0,1,0,0|1,0,0]=3 1240 B8R1.39 COC(=O)C1(CC1)N TS16680 [0,1,0,1,0,0|1,0,0]=3 1241 B8R1.50 C1CN(C(=O)C1N)O TS04570 [0,1,0,1,0,0|1,0,0]=3 1242 B8R1.50 C1CN(C(=O)[C@@H]1N)O TS32200 [0,1,0,1,0,0|1,0,0]=3 1243 B8R1.50 C1CN(C(=O)[C@H]1N)O TS32193 [0,1,0,1,0,0|1,0,0]=3 1244 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O TS04694 [0,1,0,1,0,0|1,0,0]=3 1245 B8R1.63 C1CC1(C#N)C(=O)O TS04233 [0,1,0,1,0,0|1,0,1]=4 1246 B8R1.63 C1CC1(CN)C(=O)O TS04525 [0,1,0,1,0,0|1,0,0]=3 1247 B8R1.77 C1C(C1(Cl)Cl)C(=O)O TS41482 [0,1,0,1,0,0|2,0,0]=4 1248 B8R1.77 C1C(C1(F)Cl)C(=O)O TS37243 [0,1,0,1,0,0|2,0,0]=4 1249 B8R1.77 C1C(C1(F)F)C(=O)O TS04886 [0,1,0,1,0,0|2,0,0]=4 1250 B8R1.77 CC1(CC1C(=O)O)C TS47118 [0,1,0,1,0,0|2,0,0]=4 1251 B8R1.77 CC1(C[C@@H]1C(=O)O)C TS16627 [0,1,0,1,0,0|2,0,0]=4 1252 B8R2.66 C1C2C1(C2)C(=O)O TS89087 [0,0,0,2,0,0|2,0,0]=4 1253 B8R0.9 CC(=O)OCC(CO)O TS05871 [0,0,0,0,0,2|2,0,0]=4 1254 B8R0.9 CCC(C)CCC(=O)O TS36505 [0,0,0,0,0,2|2,0,0]=4