0 B7R0.5 CC(=C)C(=O)NCO TS04529 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CC(=C)C(=O)OC=C TS31917 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.5 CC(C)C(=O)CC#N TS60063 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CCC=C(C)C(C)C TS31953 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.5 CCC=C(C)C(C)O TS04482 [0,0,0,0,0,0|2,1,0]=3 5 B7R0.5 CCCC(=C(C)C)C TS04362 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 CCCC(=C)C(C)C TS04341 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.5 CCCC(=O)C(=O)C TS32062 [0,0,0,0,0,0|1,1,1]=3 8 B7R0.5 CCCC(=O)C(=O)O TS32183 [0,0,0,0,0,0|2,1,1]=4 9 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [0,0,0,0,0,0|2,1,1]=4 10 B7R0.5 CCCC(=O)C(C)C TS32114 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.5 CCCC(=O)N(C)C TS32149 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.5 CCCC(C(C)Br)Br TS61926 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 CCCC(C(C)C)O TS32239 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.5 CCCC(C)C(C)C TS04507 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.5 CCCC(C)C(C)O TS32245 [0,0,0,0,0,0|2,1,1]=4 16 B7R0.5 CCNC(=O)C(=C)C TS04389 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.5 CCNC(C)C(C)C TS04548 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.5 CCOC(=C(F)F)F TS05121 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.5 CCOC(=O)C(=C)Br TS47658 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.5 CCOC(=O)C(=C)C TS00098 [0,0,0,0,0,0|1,0,1]=2 21 B7R0.5 CCOC(=O)C(=O)C TS01478 [0,0,0,0,0,0|0,1,1]=2 22 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [0,0,0,0,0,0|1,1,1]=3 23 B7R0.5 CCOC(=O)C(=O)N TS32272 [0,0,0,0,0,0|1,1,1]=3 24 B7R0.5 CCOC(=O)C(Br)Br TS27397 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.5 CCOC(=O)C(C)Br TS55906 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.5 CCOC(=O)C(C)C TS32217 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.5 CCOC(=O)C(C)Cl TS55916 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.5 CCOC(=O)C(C)F TS32420 [0,0,0,0,0,0|1,0,0]=1 29 B7R0.5 CCOC(=O)C(C)N TS55877 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.5 CCOC(=O)C(C)O TS04714 [0,0,0,0,0,0|0,1,0]=1 31 B7R0.5 CCOC(=O)C(C)S TS05920 [0,0,0,0,0,0|0,0,0]=0 32 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.5 CCOC(=O)C(F)Br TS15410 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.5 CCOC(=O)C(F)Cl TS37443 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.5 CCOC(=O)C(F)F TS39847 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.5 CCOC(=O)C(F)I TS53245 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.5 CCOC(=O)N(Cl)Cl TS10930 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [0,0,0,0,0,0|1,0,0]=1 39 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [0,0,0,0,0,0|0,1,0]=1 40 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [0,0,0,0,0,0|1,0,0]=1 42 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [0,0,0,0,0,0|0,1,0]=1 43 B7R0.5 CCOC(=S)C(=O)N TS01481 [0,0,0,0,0,0|1,2,1]=4 44 B7R0.5 CCOC(C(F)F)O TS05132 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.1 C(C(=O)NCO)Cl TS64943 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.1 C(C(=O)OCO)N TS05233 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.1 C(CN)C(=O)CN TS13627 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.1 C(CO)C(=O)CN TS37313 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.1 C=COC(=O)CBr TS42840 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.1 C=COC(=O)CCl TS32444 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.1 C=COC(=O)CI TS44096 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.1 CC#CC(=O)OC TS03761 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.1 CC=CC(=O)OC TS56315 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.1 CCC(=O)C=CC TS31436 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.1 CCC(=O)CC#N TS31393 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.1 CCC(=O)CSC TS32357 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.1 CCC(=O)NCC TS03904 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.1 CCC(=O)OC=C TS31498 [1,0,0,0,0,0|0,0,2]=3 59 B6R0.1 CCC(=O)OCC TS03938 [1,0,0,0,0,0|0,0,0]=1 60 B6R0.1 CCC(=O)SCC TS32362 [1,0,0,0,0,0|0,1,0]=2 61 B6R0.1 CCC(C)SCC TS04755 [1,0,0,0,0,0|1,1,1]=4 62 B6R0.1 CCCC(=C)CC TS03794 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.1 CCCC(=CC)C TS31455 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.1 CCCC(=O)CC TS31522 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.1 CCCC(=O)NN TS31598 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.1 CCCC(=O)OC TS03955 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.1 CCCC(=S)OC TS32358 [1,0,0,0,0,0|2,1,0]=4 68 B6R0.1 CCCC(C)CC TS03886 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.1 CCCC(CC)Br TS42856 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.1 CCCC(CC)Cl TS04841 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.1 CCCC(CC)I TS44109 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.1 CCCC(CC)N TS31564 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.1 CCCC(CC)O TS31611 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.1 CCCC(CC)S TS40939 [1,0,0,0,0,0|1,1,1]=4 75 B6R0.1 CCCC(CC)[Zn+] TS24971 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.1 CCNC(=O)C=C TS03826 [1,0,0,0,0,0|1,0,2]=4 77 B6R0.1 CCNC(=O)CCl TS04876 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.1 CCNC(=O)OC TS31636 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.1 CCOC(=O)C#C TS03762 [1,0,0,0,0,0|0,0,2]=3 80 B6R0.1 CCOC(=O)C#N TS31469 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.1 CCOC(=O)C=C TS33216 [1,0,0,0,0,0|0,0,2]=3 82 B6R0.1 CCOC(=O)C=O TS56148 [1,0,0,0,0,0|0,1,1]=3 83 B6R0.1 CCOC(=O)CBr TS56141 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.1 CCOC(=O)CCl TS39825 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.1 CCOC(=O)CF TS65215 [1,0,0,0,0,0|1,0,0]=2 86 B6R0.1 CCOC(=O)CN TS31646 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.1 CCOC(=O)CN TS33221 [1,0,0,0,0,0|1,0,0]=2 88 B6R0.1 CCOC(=O)CO TS56147 [1,0,0,0,0,0|0,1,0]=2 89 B6R0.1 CCOC(=O)CS TS01466 [1,0,0,0,0,0|0,0,0]=1 90 B6R0.1 CCOC(=O)NC TS31637 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.1 CCOC(=O)NN TS59780 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.1 CCOC(=O)NO TS04067 [1,0,0,0,0,0|1,1,0]=3 93 B6R0.1 CCOC(=O)OC TS31662 [1,0,0,0,0,0|1,0,0]=2 94 B6R0.1 CCOC(=S)S[K] TS01641 [1,0,0,0,0,0|2,1,0]=4 95 B6R0.1 CCOC(=S)S[Na] TS39945 [1,0,0,0,0,0|2,1,0]=4 96 B6R0.1 CCOC(CBr)Br TS25152 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.1 CCOC(CCl)Cl TS06818 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.1 CNCC(=O)OC TS01682 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.1 COC(=O)CCBr TS56269 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.1 COC(=O)CCCl TS04939 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.1 COC(=O)CCN TS08577 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.1 COC(=O)CCO TS65233 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.1 COC(=O)CCS TS04824 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.1 COC(=O)CSC TS39398 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.1 COCC(=O)OC TS39892 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.3 C(C(=O)C(Br)Br)Br TS35743 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.3 C(C(=O)C(Cl)Cl)Cl TS11459 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.3 CC(=C)C(=O)NC TS03820 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.3 CC(=C)C(=O)OC TS31500 [1,0,0,0,0,0|1,0,1]=3 110 B6R0.3 CC(=O)C(=O)OC TS31579 [1,0,0,0,0,0|0,1,1]=3 111 B6R0.3 CC(C(=O)NN)O TS04020 [1,0,0,0,0,0|2,1,0]=4 112 B6R0.3 CC(C(=O)OC)Br TS12330 [1,0,0,0,0,0|1,0,0]=2 113 B6R0.3 CC(C(=O)OC)Br TS93879 [1,0,0,0,0,0|1,0,0]=2 114 B6R0.3 CC(C(=O)OC)Cl TS04944 [1,0,0,0,0,0|1,0,0]=2 115 B6R0.3 CC(C(=O)OC)N TS55725 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.3 CC(C(=O)OC)O TS31661 [1,0,0,0,0,0|0,1,0]=2 117 B6R0.3 CC(C)C(=N)OC TS37144 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.3 CC(C)C(=O)CBr TS00029 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.3 CC(C)C(=O)NN TS31595 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.3 CC(C)C(=O)NN TS66305 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.3 CC(C)C(=O)NO TS03991 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.3 CC(C)C(=O)OC TS03944 [1,0,0,0,0,0|1,0,0]=2 123 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [1,0,0,0,0,0|1,1,0]=3 124 B6R0.3 CC=C(C)C(C)C TS03807 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.3 CC=C(C)C(C)C TS31450 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.3 CCC(=C)C(C)C TS03792 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.3 CCC(=O)C(=O)C TS03844 [1,0,0,0,0,0|0,1,1]=3 128 B6R0.3 CCC(=O)C(=O)O TS31578 [1,0,0,0,0,0|1,1,1]=4 129 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [1,0,0,0,0,0|1,1,1]=4 130 B6R0.3 CCC(=O)C(C)C TS31520 [1,0,0,0,0,0|1,0,0]=2 131 B6R0.3 CCC(=O)N(C)C TS31553 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.3 CCC(C(C)Br)Br TS52927 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.3 CCC(C(C)C)O TS03969 [1,0,0,0,0,0|1,0,2]=4 134 B6R0.3 CCC(C(C)Cl)Cl TS06555 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.3 CCC(C)C(C)C TS03882 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.3 CCC(C)C(C)O TS03961 [1,0,0,0,0,0|1,1,1]=4 137 B6R0.3 CN(C)C(=N)OC TS31601 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.3 CN(C)C(=O)CCl TS55283 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.3 CN(C)C(=O)CN TS00812 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.3 CN(C)C(=O)CN TS40036 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.3 CNC(=O)C(Cl)Cl TS06629 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.3 CNC(=O)C(F)Br TS45075 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.3 CNC(=O)C(F)Cl TS36077 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.3 CNC(=O)N(C)C TS31600 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.3 COC(=O)C(=C)F TS31658 [1,0,0,0,0,0|1,0,2]=4 146 B6R0.3 COC(=O)C(=O)Cl TS34587 [1,0,0,0,0,0|1,1,1]=4 147 B6R0.3 COC(=O)C(=O)N TS31629 [1,0,0,0,0,0|1,1,1]=4 148 B6R0.3 COC(=O)C(Br)Br TS25148 [1,0,0,0,0,0|2,0,0]=3 149 B6R0.3 COC(=O)C(Cl)Br TS50602 [1,0,0,0,0,0|2,0,0]=3 150 B6R0.3 COC(=O)C(Cl)Cl TS06813 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.3 COC(=O)C(F)F TS56318 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [1,0,0,0,0,0|1,0,0]=2 153 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [1,0,0,0,0,0|0,1,0]=2 154 B6R0.3 C[C@H](C(=O)OC)F TS31728 [1,0,0,0,0,0|1,0,0]=2 155 B6R0.3 C[C@H](C(=O)OC)N TS01765 [1,0,0,0,0,0|1,0,0]=2 156 B6R0.3 C[C@H](C(=O)OC)O TS04018 [1,0,0,0,0,0|0,1,0]=2 157 B6R0.4 CCC#CC(C)C TS03722 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.4 CCC#CC(C)O TS31430 [1,0,0,0,0,0|1,1,1]=4 159 B6R0.4 CCC=CC(=O)C TS31424 [1,0,0,0,0,0|1,1,1]=4 160 B6R0.4 CCC=CC(C)C TS03789 [1,0,0,0,0,0|2,0,0]=3 161 B6R0.4 CCCCC(C)Br TS42855 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.4 CCCCC(C)C TS03881 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.4 CCCCC(C)Cl TS04843 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.4 CCCCC(C)I TS44108 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.4 CCCCC(C)N TS31565 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.4 CCCCC(C)O TS31617 [1,0,0,0,0,0|1,1,1]=4 167 B6R0.4 CCCC[C@@H](C)N TS03923 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.4 CCCC[C@@H](C)O TS03965 [1,0,0,0,0,0|1,1,1]=4 169 B6R0.4 CCCC[C@H](C)N TS03919 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.4 CCCC[C@H](C)O TS31613 [1,0,0,0,0,0|1,1,1]=4 171 B6R0.4 CCCNC(C)C TS03926 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.4 CCCSC(C)C TS32368 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.4 CCOCC(C)C TS03959 [1,0,0,0,0,0|1,0,1]=3 174 B6R0.4 CCSCC(C)C TS04752 [1,0,0,0,0,0|1,1,1]=4 175 B8R0.2 CCC(C)C(=O)C(C)C TS05377 [0,1,0,0,0,0|2,0,0]=3 176 B8R0.3 CCC(C(=O)OCC)Br TS51943 [0,1,0,0,0,0|1,0,0]=2 177 B8R0.3 CCC(C(=O)OCC)N TS05659 [0,1,0,0,0,0|1,0,0]=2 178 B8R0.3 CCC(C(=O)OCC)O TS05723 [0,1,0,0,0,0|0,1,0]=2 179 B8R0.3 CCC(C)C(=O)C=CC TS05192 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.3 CCC(C)C(=O)OCC TS36496 [0,1,0,0,0,0|1,0,0]=2 181 B8R0.3 CCC=C(C)C(CC)O TS36335 [0,1,0,0,0,0|2,1,0]=4 182 B8R0.3 CCCC(=O)C(C)CC TS36333 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.3 CCOC(=O)C(=C)C#N TS05068 [0,1,0,0,0,0|1,0,2]=4 184 B8R0.3 CCOC(=O)C(=C)CBr TS00209 [0,1,0,0,0,0|1,0,1]=3 185 B8R0.3 CCOC(=O)C(=C)CCl TS40705 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.3 CCOC(=O)C(=C)CO TS08483 [0,1,0,0,0,0|1,0,1]=3 187 B8R0.3 CCOC(=O)C(=CC)C TS05350 [0,1,0,0,0,0|1,0,1]=3 188 B8R0.3 CCOC(=O)C(=NO)Cl TS55909 [0,1,0,0,0,0|1,1,1]=4 189 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [0,1,0,0,0,0|0,1,1]=3 190 B8R0.3 CCOC(=O)C(C#C)O TS36268 [0,1,0,0,0,0|0,1,1]=3 191 B8R0.3 CCOC(=O)C(C)C#N TS55919 [0,1,0,0,0,0|1,0,0]=2 192 B8R0.3 CCOC(=O)C(CBr)Br TS08484 [0,1,0,0,0,0|1,0,0]=2 193 B8R0.3 CCOC(=O)C(CCl)Cl TS12952 [0,1,0,0,0,0|1,0,0]=2 194 B8R0.3 CCOC(=O)N(C)N=O TS36643 [0,1,0,0,0,0|1,1,0]=3 195 B8R0.3 CCOC(=O)[C@@H](CO)N TS45049 [0,1,0,0,0,0|1,0,0]=2 196 B8R0.3 CCOC(=O)[C@H](C)OC TS05726 [0,1,0,0,0,0|0,1,0]=2 197 B8R0.3 CCOC(=O)[C@H](CO)N TS45053 [0,1,0,0,0,0|1,0,0]=2 198 B8R0.3 CCOC(=O)[C@H](CS)N TS15539 [0,1,0,0,0,0|1,0,0]=2 199 B8R0.8 CC(=C)C(=O)NCCO TS36409 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.8 CC(=C)C(=O)NCOC TS36403 [0,1,0,0,0,0|2,0,1]=4 201 B8R0.8 CC(=C)C(=O)OCC#C TS32595 [0,1,0,0,0,0|1,0,2]=4 202 B8R0.8 CC(=C)C(=O)OCCBr TS17607 [0,1,0,0,0,0|1,0,1]=3 203 B8R0.8 CC(=C)C(=O)OCCCl TS40704 [0,1,0,0,0,0|1,0,1]=3 204 B8R0.8 CC(=C)C(=O)OCCF TS36652 [0,1,0,0,0,0|1,0,1]=3 205 B8R0.8 CC(=C)C(=O)OCCN TS42970 [0,1,0,0,0,0|1,0,1]=3 206 B8R0.8 CC(=C)C(=O)OCCO TS05522 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.8 CC(C(=O)NCCO)O TS05811 [0,1,0,0,0,0|1,1,0]=3 208 B8R0.8 CC(C(=O)OCC=C)Br TS51582 [0,1,0,0,0,0|1,0,1]=3 209 B8R0.8 CC(C(=O)OCC=C)O TS05524 [0,1,0,0,0,0|0,1,1]=3 210 B8R0.8 CC(C)C(=O)OCC=C TS36305 [0,1,0,0,0,0|1,0,1]=3 211 B8R0.8 CCCCC(=O)C(=O)C TS05337 [0,1,0,0,0,0|1,1,1]=4 212 B8R0.8 CCCCC(=O)C(C)C TS36328 [0,1,0,0,0,0|2,0,0]=3 213 B8R0.8 CCCCC(=O)N(C)C TS05483 [0,1,0,0,0,0|3,0,0]=4 214 B8R0.8 CCCOC(=O)C(=C)C TS36313 [0,1,0,0,0,0|1,0,1]=3 215 B8R0.8 CCCOC(=O)C(=O)C TS40210 [0,1,0,0,0,0|0,1,1]=3 216 B8R0.8 CCCOC(=O)C(C)O TS05710 [0,1,0,0,0,0|0,1,0]=2 217 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [0,1,0,0,0,0|0,1,0]=2 218 B8R0.8 CN(C)C(=O)CCCCl TS40801 [0,1,0,0,0,0|3,0,0]=4 219 B8R0.14 CC(C)(C)C(=O)OC=C TS05340 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.14 CC(C)(C)C(=O)OCCl TS39622 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.14 CC(C)(C)C(=O)OCI TS26785 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.14 CCCC(=O)C(C)(C)C TS05378 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.14 CCOC(=C)[Si](C)(C)C TS07041 [0,1,0,0,0,0|2,1,0]=4 224 B8R0.14 CCOC(=C)[Sn](C)(C)C TS56588 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.14 CCOC(=O)C(C)(C)Br TS55167 [0,1,0,0,0,0|1,0,0]=2 226 B8R0.14 CCOC(=O)C(C)(C)C TS36504 [0,1,0,0,0,0|1,0,0]=2 227 B8R0.14 CCOC(=O)C(C)(C)N TS43281 [0,1,0,0,0,0|1,0,0]=2 228 B8R0.14 CCOC(=O)C(C)(C)O TS36659 [0,1,0,0,0,0|0,1,0]=2 229 B8R0.14 CCOC(=O)C(C)(F)F TS06224 [0,1,0,0,0,0|1,0,0]=2 230 B8R0.14 CCOC(=O)C(Cl)(Cl)Cl TS00286 [0,1,0,0,0,0|2,0,0]=3 231 B8R0.14 CCOC(=O)C(F)(Br)Br TS29977 [0,1,0,0,0,0|2,0,0]=3 232 B8R0.14 CCOC(=O)C(F)(Cl)Cl TS45893 [0,1,0,0,0,0|2,0,0]=3 233 B8R0.14 CCOC(=O)C(F)(F)Br TS77132 [0,1,0,0,0,0|2,0,0]=3 234 B8R0.14 CCOC(=O)C(F)(F)Cl TS59751 [0,1,0,0,0,0|2,0,0]=3 235 B8R0.14 CCOC(=O)C(F)(F)F TS01482 [0,1,0,0,0,0|2,0,0]=3 236 B8R0.14 CCOC(=O)C(F)(F)I TS27978 [0,1,0,0,0,0|2,0,0]=3 237 B8R0.23 CC(C)C(=O)OC(C)C TS05557 [0,1,0,0,0,0|1,0,0]=2 238 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [0,1,0,0,0,0|1,1,1]=4 239 B8R0.23 CC(C)CC(=O)C(C)C TS36332 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.23 CC(C)NC(=O)C(=C)C TS05277 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.23 CC(C)OC(=O)C(=C)C TS05342 [0,1,0,0,0,0|1,0,1]=3 242 B8R0.23 CC(C)OC(=O)C(C)O TS05725 [0,1,0,0,0,0|0,1,0]=2 243 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS12447 [0,1,0,0,0,0|1,0,0]=2 244 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS93955 [0,1,0,0,0,0|1,0,0]=2 245 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,0,0,1,0,0|1,1,0]=3 247 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [0,0,0,1,0,0|1,1,1]=4 248 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,0,0,1,0,0|2,0,0]=3 249 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,0,0,1,0,0|2,0,0]=3 250 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,0,0,1,0,0|1,1,0]=3 251 B8R1.5 C1CCN(C(=O)C1)N TS32084 [0,0,0,1,0,0|3,0,0]=4 252 B8R1.5 C1CNCC(C1=O)Br TS60337 [0,0,0,1,0,0|3,0,0]=4 253 B8R1.5 C1CNCC(C1=O)F TS88150 [0,0,0,1,0,0|3,0,0]=4 254 B8R1.5 C1COCC(C1=O)Br TS87523 [0,0,0,1,0,0|3,0,0]=4 255 B8R1.5 C1COCC(C1=O)F TS90072 [0,0,0,1,0,0|3,0,0]=4 256 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,0,0,1,0,0|2,0,0]=3 257 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,0,0,1,0,0|2,0,0]=3 258 B8R1.5 CC1=CCCCC1=O TS31839 [0,0,0,1,0,0|2,0,1]=4 259 B8R1.5 CC1CCCC=C1C TS31849 [0,0,0,1,0,0|3,0,0]=4 260 B8R1.5 CC1CCCCC1=C TS31851 [0,0,0,1,0,0|3,0,0]=4 261 B8R1.5 CC1CCCCC1=O TS01136 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.5 CC1CCNCC1=O TS92225 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.5 CC1CNCCC1=O TS02832 [0,0,0,1,0,0|3,0,0]=4 264 B8R1.5 CC1CNCCC1=O TS70671 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.5 CC1COCCC1=O TS89718 [0,0,0,1,0,0|3,0,0]=4 266 B8R1.5 CN1CCCCC1=O TS04393 [0,0,0,1,0,0|3,0,0]=4 267 B8R1.7 CC(C)C1=CCCC1 TS31848 [0,0,0,1,0,0|3,0,0]=4 268 B8R1.7 CC(C1=NCCN1)O TS32075 [0,0,0,1,0,0|2,1,0]=4 269 B8R1.18 CC1C(=NC(O1)C)C TS32019 [0,0,0,1,0,0|2,1,0]=4 270 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [0,0,0,1,0,0|1,1,1]=4 271 B8R1.18 CC1CC(=C)C(=O)O1 TS31903 [0,0,0,1,0,0|1,0,1]=3 272 B8R1.18 CC1CC(=O)N(N1)C TS32083 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.18 CC1CC(=O)OC1=O TS32036 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.18 CC1CC(C(=O)O1)Br TS47655 [0,0,0,1,0,0|1,0,0]=2 275 B8R1.18 C[C@H]1C(=O)OC(=O)N1 TS04514 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.19 CC1(CCC=N1=O)C TS32646 [0,0,0,1,0,0|3,0,0]=4 277 B8R1.19 CC1(CCCC1=O)C TS31947 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.19 CC1(CCOC1=O)Br TS47654 [0,0,0,1,0,0|1,0,0]=2 279 B8R1.19 CC1(CCOC1=O)C TS55730 [0,0,0,1,0,0|1,0,0]=2 280 B8R1.37 CCOC(=O)C1CC1 TS32071 [0,0,0,1,0,0|1,0,0]=2 281 B8R1.37 CCOC(=O)C1CO1 TS01910 [0,0,0,1,0,0|0,1,0]=2 282 B8R1.37 CCOC(=O)[C@H]1CO1 TS32189 [0,0,0,1,0,0|0,1,0]=2 283 B8R1.54 CN(C)C(=O)C1CC1 TS32014 [0,0,0,1,0,0|3,0,0]=4 284 B8R0.5 CC(C)OC(=O)CCS TS05774 [0,0,0,0,0,1|3,0,0]=4 285 B8R0.5 CC(C)OC(=O)OCCl TS64904 [0,0,0,0,0,1|2,0,0]=3 286 B8R0.5 CCCC(=O)CC(C)C TS05373 [0,0,0,0,0,1|2,0,0]=3 287 B8R0.5 CCCC(=O)OC(C)C TS05550 [0,0,0,0,0,1|2,0,0]=3 288 B8R0.5 CCNC(=O)CC(=O)C TS05458 [0,0,0,0,0,1|1,1,1]=4 289 B8R0.5 CCOC(=O)C=C(C)C TS32816 [0,0,0,0,0,1|1,0,1]=3 290 B8R0.5 CCOC(=O)CC(=O)C TS41089 [0,0,0,0,0,1|0,1,1]=3 291 B8R0.5 CCOC(=O)CC(=O)C TS59779 [0,0,0,0,0,1|0,1,1]=3 292 B8R0.5 CCOC(=O)CC(=O)N TS01462 [0,0,0,0,0,1|1,1,1]=4 293 B8R0.5 CCOC(=O)CC(=O)O TS39886 [0,0,0,0,0,1|1,1,1]=4 294 B8R0.5 CCOC(=O)CC(=S)N TS07360 [0,0,0,0,0,1|1,0,2]=4 295 B8R0.5 CCOC(=O)CC(C)Br TS51949 [0,0,0,0,0,1|1,0,0]=2 296 B8R0.5 CCOC(=O)CC(C)C TS05548 [0,0,0,0,0,1|1,0,0]=2 297 B8R0.5 CCOC(=O)CC(C)N TS32698 [0,0,0,0,0,1|1,0,0]=2 298 B8R0.5 CCOC(=O)CC(C)O TS36658 [0,0,0,0,0,1|0,1,0]=2 299 B8R0.5 CCOC(=O)CN(C)C TS05660 [0,0,0,0,0,1|2,0,0]=3 300 B8R0.5 CCOC(=O)C[C@@H](C)O TS05718 [0,0,0,0,0,1|0,1,0]=2 301 B8R0.5 CCOC(=O)C[N+](=O)[O-] TS01470 [0,0,0,0,0,1|2,1,0]=4 302 B8R0.5 CCOC(=O)C[S+](C)C TS52804 [0,0,0,0,0,1|2,0,0]=3 303 B8R0.5 CCOC(=O)NC(=O)C TS05638 [0,0,0,0,0,1|0,1,1]=3 304 B8R0.5 CCOC(=O)NC(=O)N TS36645 [0,0,0,0,0,1|1,1,1]=4 305 B8R0.5 CCOC(=O)OC(C)Cl TS10246 [0,0,0,0,0,1|1,0,0]=2 306 B5R0.1 C(OC(=O)Cl)Cl TS36381 [2,0,0,0,0,0|2,0,0]=4 307 B5R0.1 CC(=O)CCO TS39752 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.1 CC(=O)CCS TS31678 [2,0,0,0,0,0|2,0,0]=4 309 B5R0.1 CC(=O)COC TS03573 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.1 CC(=O)CSC TS31685 [2,0,0,0,0,0|2,0,0]=4 311 B5R0.1 CC(=O)NCO TS08902 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.1 CC(=O)NSC TS31708 [2,0,0,0,0,0|2,0,0]=4 313 B5R0.1 CC(=O)OC=C TS03528 [2,0,0,0,0,0|0,0,2]=4 314 B5R0.1 CC(=O)OC=O TS71794 [2,0,0,0,0,0|1,0,1]=4 315 B5R0.1 CC(=O)OCBr TS16534 [2,0,0,0,0,0|1,0,0]=3 316 B5R0.1 CC(=O)OCCl TS55809 [2,0,0,0,0,0|1,0,0]=3 317 B5R0.1 CC(=O)O[Hg]C TS30965 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.1 CC(C)OCCl TS04160 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.1 CC(CCS)S TS04931 [2,0,0,0,0,0|1,0,1]=4 320 B5R0.1 CC(COC)N TS03608 [2,0,0,0,0,0|1,0,1]=4 321 B5R0.1 CC(COC)O TS71841 [2,0,0,0,0,0|0,1,1]=4 322 B5R0.1 CC=CC(=O)C TS03499 [2,0,0,0,0,0|1,0,1]=4 323 B5R0.1 CC=CC(C)C TS71719 [2,0,0,0,0,0|1,0,1]=4 324 B5R0.1 CC=CC(C)O TS71747 [2,0,0,0,0,0|0,1,1]=4 325 B5R0.1 CCC=C(C)C TS71718 [2,0,0,0,0,0|1,0,1]=4 326 B5R0.1 CCCC(=C)C TS71722 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.1 CCCC(=O)Br TS40964 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.1 CCCC(=O)C TS71754 [2,0,0,0,0,0|1,0,0]=3 329 B5R0.1 CCCC(=O)Cl TS16539 [2,0,0,0,0,0|2,0,0]=4 330 B5R0.1 CCCC(=O)N TS03561 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.1 CCCC(=O)O TS03572 [2,0,0,0,0,0|1,1,0]=4 332 B5R0.1 CCCC(=O)O TS63934 [2,0,0,0,0,0|1,1,0]=4 333 B5R0.1 CCCC(=O)[O-] TS04184 [2,0,0,0,0,0|1,1,0]=4 334 B5R0.1 CCCC(=O)[O-] TS04232 [2,0,0,0,0,0|1,1,0]=4 335 B5R0.1 CCCC(=O)[O-] TS44539 [2,0,0,0,0,0|1,1,0]=4 336 B5R0.1 CCCC(C)Br TS09989 [2,0,0,0,0,0|1,0,1]=4 337 B5R0.1 CCCC(C)Cl TS31741 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.1 CCCC(C)I TS18550 [2,0,0,0,0,0|1,0,1]=4 339 B5R0.1 CCCC(C)O TS03596 [2,0,0,0,0,0|0,1,1]=4 340 B5R0.1 CCCC(C)S TS31692 [2,0,0,0,0,0|0,0,1]=3 341 B5R0.1 CCCC(C)[Zn+] TS49166 [2,0,0,0,0,0|1,0,1]=4 342 B5R0.1 CCC[C@@H](C)O TS71801 [2,0,0,0,0,0|0,1,1]=4 343 B5R0.1 CCC[C@H](C)O TS71800 [2,0,0,0,0,0|0,1,1]=4 344 B5R0.1 CCNC(=O)C TS03563 [2,0,0,0,0,0|1,0,0]=3 345 B5R0.1 CCNC(=O)N TS03591 [2,0,0,0,0,0|2,0,0]=4 346 B5R0.1 CCNC(C)C TS71777 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.1 CCOC(=C)C TS71753 [2,0,0,0,0,0|1,0,0]=3 348 B5R0.1 CCOC(=O)C TS03585 [2,0,0,0,0,0|0,0,0]=2 349 B5R0.1 CCOC(=O)C TS03625 [2,0,0,0,0,0|0,0,0]=2 350 B5R0.1 CCOC(=O)C TS71827 [2,0,0,0,0,0|0,0,0]=2 351 B5R0.1 CCOC(=O)Cl TS56143 [2,0,0,0,0,0|1,0,0]=3 352 B5R0.1 CCOC(=O)N TS59479 [2,0,0,0,0,0|1,0,0]=3 353 B5R0.1 CCOC(=S)C TS31684 [2,0,0,0,0,0|0,1,0]=3 354 B5R0.1 CCOC(=S)Cl TS36034 [2,0,0,0,0,0|1,0,1]=4 355 B5R0.1 CCOC(C)C TS03595 [2,0,0,0,0,0|1,0,0]=3 356 B5R0.1 CCOC(C)Cl TS04164 [2,0,0,0,0,0|1,0,0]=3 357 B5R0.1 CCO[SiH](C)C TS04048 [2,0,0,0,0,0|1,1,0]=4 358 B5R0.1 CCSC(=S)C TS32440 [2,0,0,0,0,0|0,2,0]=4 359 B5R0.1 CCSC(C)C TS31689 [2,0,0,0,0,0|1,1,0]=4 360 B5R0.1 C[C@@H](COC)N TS03602 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.1 C[C@@H](COC)O TS71834 [2,0,0,0,0,0|0,1,1]=4 362 B5R0.1 C[C@H](COC)O TS00301 [2,0,0,0,0,0|0,1,1]=4 363 B5R0.2 CCC#CCC TS71689 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.2 CCCCCS TS31699 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.2 CCCNCC TS71783 [2,0,0,0,0,0|1,0,1]=4 366 B5R0.2 CCCOCC TS71799 [2,0,0,0,0,0|0,0,1]=3 367 B5R0.2 CCCOCCl TS04165 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.2 CCCSCC TS31700 [2,0,0,0,0,0|0,1,1]=4 369 B5R0.2 CCN=NCC TS03539 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.2 CCNNCC TS11360 [2,0,0,0,0,0|2,0,0]=4 371 B5R0.2 CCNNCC TS71806 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.2 CCOC=CBr TS40963 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.2 CCOC=CC TS71751 [2,0,0,0,0,0|0,0,1]=3 374 B5R0.2 CCOCCBr TS10269 [2,0,0,0,0,0|1,0,1]=4 375 B5R0.2 CCOCCCl TS04162 [2,0,0,0,0,0|1,0,1]=4 376 B5R0.2 CCOCCO TS71837 [2,0,0,0,0,0|0,1,1]=4 377 B5R0.2 CCSSCC TS59782 [2,0,0,0,0,0|1,1,0]=4 378 B5R0.2 CC[Se][Se]CC TS44786 [2,0,0,0,0,0|1,1,0]=4 379 B5R0.3 C(C(=O)CBr)Br TS21961 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.3 C(C(=O)CCl)Cl TS36200 [2,0,0,0,0,0|2,0,0]=4 381 B5R0.3 C(C(=O)CF)F TS03661 [2,0,0,0,0,0|2,0,0]=4 382 B5R0.3 C(C(=O)CI)I TS60842 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.3 C(C(=O)CN)N TS11357 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.3 C(C(=O)CO)O TS46803 [2,0,0,0,0,0|1,1,0]=4 385 B5R0.3 CCC(=C)CC TS71714 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.3 CCC(=O)C=C TS03496 [2,0,0,0,0,0|0,0,2]=4 387 B5R0.3 CCC(=O)C=O TS03524 [2,0,0,0,0,0|0,1,1]=4 388 B5R0.3 CCC(=O)CBr TS00020 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.3 CCC(=O)CC TS00240 [2,0,0,0,0,0|0,0,0]=2 390 B5R0.3 CCC(=O)CCl TS31736 [2,0,0,0,0,0|1,0,0]=3 391 B5R0.3 CCC(=O)CO TS05538 [2,0,0,0,0,0|0,1,0]=3 392 B5R0.3 CCC(=O)NC TS03562 [2,0,0,0,0,0|1,0,0]=3 393 B5R0.3 CCC(=O)NN TS03589 [2,0,0,0,0,0|2,0,0]=4 394 B5R0.3 CCC(=O)OC TS03587 [2,0,0,0,0,0|0,0,0]=2 395 B5R0.3 CCC(=S)OC TS31680 [2,0,0,0,0,0|0,1,0]=3 396 B5R0.3 CCC(C)CC TS03546 [2,0,0,0,0,0|1,0,1]=4 397 B5R0.3 CCC(C)CS TS31698 [2,0,0,0,0,0|1,0,1]=4 398 B5R0.3 CCC(C)OC TS71803 [2,0,0,0,0,0|1,0,1]=4 399 B5R0.3 CCC(CC)Br TS09988 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.3 CCC(CC)Cl TS31745 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.3 CCC(CC)F TS71849 [2,0,0,0,0,0|1,0,1]=4 402 B5R0.3 CCC(CC)I TS18549 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.3 CCC(CC)N TS00440 [2,0,0,0,0,0|1,0,1]=4 404 B5R0.3 CCC(CC)O TS00239 [2,0,0,0,0,0|0,0,2]=4 405 B5R0.3 CCC(CC)[Zn+] TS49169 [2,0,0,0,0,0|1,0,1]=4 406 B5R0.3 CCC(CS)S TS04932 [2,0,0,0,0,0|0,1,1]=4 407 B5R0.3 CCN(C)CC TS71781 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.3 CCN(CC)O TS03599 [2,0,0,0,0,0|1,0,1]=4 409 B5R0.3 CCP(CC)Cl TS36025 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.3 CCS(=O)CC TS04104 [2,0,0,0,0,0|1,0,0]=3 411 B5R0.3 CC[Al](CC)Cl TS27650 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.3 CC[SiH](C)CC TS03988 [2,0,0,0,0,0|1,1,0]=4 413 B5R0.3 CC[Sn](=O)CC TS17584 [2,0,0,0,0,0|1,0,0]=3 414 B5R0.3 CNC(=O)CCl TS04119 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.3 CNC(=O)CN TS36033 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.3 CNC(=O)NC TS08682 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.3 COC(=O)C#C TS01555 [2,0,0,0,0,0|0,0,2]=4 418 B5R0.3 COC(=O)C#N TS71728 [2,0,0,0,0,0|1,0,1]=4 419 B5R0.3 COC(=O)C=C TS03529 [2,0,0,0,0,0|0,0,2]=4 420 B5R0.3 COC(=O)C=O TS65230 [2,0,0,0,0,0|0,1,1]=4 421 B5R0.3 COC(=O)CBr TS08895 [2,0,0,0,0,0|1,0,0]=3 422 B5R0.3 COC(=O)CCl TS39826 [2,0,0,0,0,0|1,0,0]=3 423 B5R0.3 COC(=O)CF TS65235 [2,0,0,0,0,0|1,0,0]=3 424 B5R0.3 COC(=O)CN TS36079 [2,0,0,0,0,0|1,0,0]=3 425 B5R0.3 COC(=O)CN TS93910 [2,0,0,0,0,0|1,0,0]=3 426 B5R0.3 COC(=O)CO TS03617 [2,0,0,0,0,0|0,1,0]=3 427 B5R0.3 COC(=O)CS TS39888 [2,0,0,0,0,0|0,0,0]=2 428 B5R0.3 COC(=O)NN TS65196 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.3 COC(=O)OC TS33240 [2,0,0,0,0,0|1,0,0]=3 430 B5R0.3 COC(=O)SCl TS36190 [2,0,0,0,0,0|2,0,0]=4 431 B5R0.3 COS(=O)OC TS31831 [2,0,0,0,0,0|2,0,0]=4 432 B5R0.3 CSC(=O)SC TS04928 [2,0,0,0,0,0|1,1,0]=4 433 B5R0.5 C(C(=O)O)(Br)Br TS22308 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.5 C(C(=O)O)(Cl)Br TS45685 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.5 C(C(=O)O)(F)Cl TS31986 [2,0,0,0,0,0|2,0,0]=4 436 B5R0.5 C(C(=O)O)(F)F TS01438 [2,0,0,0,0,0|2,0,0]=4 437 B5R0.5 CC(=C)C(=O)C TS03485 [2,0,0,0,0,0|1,0,1]=4 438 B5R0.5 CC(=C)C(=O)O TS56224 [2,0,0,0,0,0|1,0,1]=4 439 B5R0.5 CC(=O)C(=O)C TS03530 [2,0,0,0,0,0|0,1,1]=4 440 B5R0.5 CC(=O)C(=O)O TS71795 [2,0,0,0,0,0|0,1,1]=4 441 B5R0.5 CC(=O)C(Cl)Cl TS36198 [2,0,0,0,0,0|2,0,0]=4 442 B5R0.5 CC(=O)C(F)F TS03662 [2,0,0,0,0,0|2,0,0]=4 443 B5R0.5 CC(=O)C(O)O TS46028 [2,0,0,0,0,0|1,1,0]=4 444 B5R0.5 CC(=O)N(C)C TS03557 [2,0,0,0,0,0|2,0,0]=4 445 B5R0.5 CC(C(=C)C)O TS71758 [2,0,0,0,0,0|1,1,0]=4 446 B5R0.5 CC(C(=O)Br)Br TS93904 [2,0,0,0,0,0|2,0,0]=4 447 B5R0.5 CC(C(=O)C)Br TS40972 [2,0,0,0,0,0|1,0,0]=3 448 B5R0.5 CC(C(=O)C)Cl TS31738 [2,0,0,0,0,0|1,0,0]=3 449 B5R0.5 CC(C(=O)C)F TS71828 [2,0,0,0,0,0|1,0,0]=3 450 B5R0.5 CC(C(=O)C)O TS03581 [2,0,0,0,0,0|0,1,0]=3 451 B5R0.5 CC(C(=O)C)S TS60015 [2,0,0,0,0,0|0,0,0]=2 452 B5R0.5 CC(C(=O)Cl)Br TS45375 [2,0,0,0,0,0|2,0,0]=4 453 B5R0.5 CC(C(=O)Cl)Cl TS36199 [2,0,0,0,0,0|2,0,0]=4 454 B5R0.5 CC(C(=O)N)Br TS10108 [2,0,0,0,0,0|2,0,0]=4 455 B5R0.5 CC(C(=O)N)Cl TS04116 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.5 CC(C(=O)N)O TS71825 [2,0,0,0,0,0|1,1,0]=4 457 B5R0.5 CC(C(=O)O)Br TS10263 [2,0,0,0,0,0|1,0,0]=3 458 B5R0.5 CC(C(=O)O)Br TS41327 [2,0,0,0,0,0|1,0,0]=3 459 B5R0.5 CC(C(=O)O)Cl TS04158 [2,0,0,0,0,0|1,0,0]=3 460 B5R0.5 CC(C(=O)O)F TS02005 [2,0,0,0,0,0|1,0,0]=3 461 B5R0.5 CC(C(=O)O)N TS71826 [2,0,0,0,0,0|1,0,0]=3 462 B5R0.5 CC(C(=O)O)O TS03619 [2,0,0,0,0,0|0,1,0]=3 463 B5R0.5 CC(C(=O)O)O TS69796 [2,0,0,0,0,0|0,1,0]=3 464 B5R0.5 CC(C(=O)O)S TS04090 [2,0,0,0,0,0|0,0,0]=2 465 B5R0.5 CC(C(=O)[O-])O TS04267 [2,0,0,0,0,0|0,1,1]=4 466 B5R0.5 CC(C(=O)[O-])O TS21805 [2,0,0,0,0,0|0,1,1]=4 467 B5R0.5 CC(C(=O)[O-])O TS25875 [2,0,0,0,0,0|0,1,1]=4 468 B5R0.5 CC(C(=O)[O-])O TS49421 [2,0,0,0,0,0|0,1,1]=4 469 B5R0.5 CC(C(=O)[O-])O TS53785 [2,0,0,0,0,0|0,1,1]=4 470 B5R0.5 CC(C(=O)[O-])O TS60724 [2,0,0,0,0,0|0,1,1]=4 471 B5R0.5 CC(C(=O)[O-])O TS67922 [2,0,0,0,0,0|0,1,1]=4 472 B5R0.5 CC(C(=O)[O-])O TS82339 [2,0,0,0,0,0|0,1,1]=4 473 B5R0.5 CC(C(=O)[O-])O TS93633 [2,0,0,0,0,0|0,1,1]=4 474 B5R0.5 CC(C(=O)[O-])O TS94684 [2,0,0,0,0,0|0,1,1]=4 475 B5R0.5 CC(C(=O)[O-])O TS94690 [2,0,0,0,0,0|0,1,1]=4 476 B5R0.5 CC(C(C)S)O TS04106 [2,0,0,0,0,0|0,0,2]=4 477 B5R0.5 CC(C(C)S)S TS04935 [2,0,0,0,0,0|0,1,1]=4 478 B5R0.5 CC(C)C(=C)C TS71720 [2,0,0,0,0,0|2,0,0]=4 479 B5R0.5 CC(C)C(=O)Br TS40967 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.5 CC(C)C(=O)C TS39716 [2,0,0,0,0,0|1,0,0]=3 481 B5R0.5 CC(C)C(=O)Cl TS31739 [2,0,0,0,0,0|2,0,0]=4 482 B5R0.5 CC(C)C(=O)F TS71829 [2,0,0,0,0,0|2,0,0]=4 483 B5R0.5 CC(C)C(=O)N TS01506 [2,0,0,0,0,0|2,0,0]=4 484 B5R0.5 CC(C)C(=O)O TS85221 [2,0,0,0,0,0|1,0,0]=3 485 B5R0.5 CC(C)C(=O)[O-] TS03660 [2,0,0,0,0,0|1,0,1]=4 486 B5R0.5 CC(C)C(=O)[O-] TS04185 [2,0,0,0,0,0|1,0,1]=4 487 B5R0.5 CC(C)C(=O)[O-] TS36146 [2,0,0,0,0,0|1,0,1]=4 488 B5R0.5 CC(C)C(=O)[O-] TS44540 [2,0,0,0,0,0|1,0,1]=4 489 B5R0.5 CC(C)C(C)S TS31690 [2,0,0,0,0,0|1,0,1]=4 490 B5R0.5 CN(C)C(=O)O TS05907 [2,0,0,0,0,0|2,0,0]=4 491 B5R0.5 C[C@@H](C(=O)N)N TS01517 [2,0,0,0,0,0|2,0,0]=4 492 B5R0.5 C[C@@H](C(=O)N)N TS03590 [2,0,0,0,0,0|2,0,0]=4 493 B5R0.5 C[C@@H](C(=O)N)O TS59860 [2,0,0,0,0,0|1,1,0]=4 494 B5R0.5 C[C@@H](C(=O)O)Br TS10265 [2,0,0,0,0,0|1,0,0]=3 495 B5R0.5 C[C@@H](C(=O)O)Cl TS47157 [2,0,0,0,0,0|1,0,0]=3 496 B5R0.5 C[C@@H](C(=O)O)N TS01516 [2,0,0,0,0,0|1,0,0]=3 497 B5R0.5 C[C@@H](C(=O)O)N TS03624 [2,0,0,0,0,0|1,0,0]=3 498 B5R0.5 C[C@@H](C(=O)O)O TS39672 [2,0,0,0,0,0|0,1,0]=3 499 B5R0.5 C[C@@H](C(=O)[O-])O TS04266 [2,0,0,0,0,0|0,1,1]=4 500 B5R0.5 C[C@@H](C(=O)[O-])O TS05332 [2,0,0,0,0,0|0,1,1]=4 501 B5R0.5 C[C@@H](C(=O)[O-])O TS28972 [2,0,0,0,0,0|0,1,1]=4 502 B5R0.5 C[C@H](C(=O)Cl)Cl TS94778 [2,0,0,0,0,0|2,0,0]=4 503 B5R0.5 C[C@H](C(=O)N)N TS46606 [2,0,0,0,0,0|2,0,0]=4 504 B5R0.5 C[C@H](C(=O)N)N TS60179 [2,0,0,0,0,0|2,0,0]=4 505 B5R0.5 C[C@H](C(=O)N)O TS71820 [2,0,0,0,0,0|1,1,0]=4 506 B5R0.5 C[C@H](C(=O)O)Br TS10264 [2,0,0,0,0,0|1,0,0]=3 507 B5R0.5 C[C@H](C(=O)O)O TS03621 [2,0,0,0,0,0|0,1,0]=3 508 B5R0.5 C[C@H](C(=O)[O-])O TS03708 [2,0,0,0,0,0|0,1,1]=4 509 B7R0.2 CC(C)CC(=O)OC TS04588 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.2 CC(C)CC(=O)SC TS05775 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.2 CC(C)NC(=O)CCl TS06023 [1,1,0,0,0,0|2,0,0]=4 512 B7R0.2 CC(C)OC(=O)C=C TS32061 [1,1,0,0,0,0|0,0,2]=4 513 B7R0.2 CC(C)OC(=O)CCl TS37073 [1,1,0,0,0,0|1,0,0]=3 514 B7R0.2 CC(C)OC(=O)CN TS41311 [1,1,0,0,0,0|1,0,0]=3 515 B7R0.2 CC(C)OC(=O)CO TS32323 [1,1,0,0,0,0|0,1,0]=3 516 B7R0.2 CC(C)OC(=O)CS TS05924 [1,1,0,0,0,0|0,0,0]=2 517 B7R0.2 CC(CC(=O)OC)Br TS65942 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.2 CCC(=C)CC(C)C TS04352 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.2 CCC(=O)CC(=O)C TS00653 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.2 CCC(=O)CC(C)C TS32113 [1,1,0,0,0,0|1,0,0]=3 521 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [1,1,0,0,0,0|2,0,0]=4 522 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [1,1,0,0,0,0|2,0,0]=4 523 B7R0.3 C=CC(=O)OCCBr TS47659 [1,1,0,0,0,0|0,0,2]=4 524 B7R0.3 C=CC(=O)OCCCl TS05938 [1,1,0,0,0,0|0,0,2]=4 525 B7R0.3 C=CC(=O)OCCO TS56178 [1,1,0,0,0,0|0,0,2]=4 526 B7R0.3 C=CCOC(=O)CCl TS05941 [1,1,0,0,0,0|1,0,1]=4 527 B7R0.3 CCC#CC(=O)OC TS31922 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.3 CCC(=O)NCCO TS32284 [1,1,0,0,0,0|1,0,0]=3 529 B7R0.3 CCC(=O)OCC#C TS31921 [1,1,0,0,0,0|0,0,1]=3 530 B7R0.3 CCC(=O)OCC=C TS04450 [1,1,0,0,0,0|0,0,1]=3 531 B7R0.3 CCC(=S)OCC=C TS05577 [1,1,0,0,0,0|0,1,1]=4 532 B7R0.3 CCC=CC(=O)OC TS56262 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.3 CCCCC(=C)CC TS04366 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.3 CCCCC(=O)CC TS04462 [1,1,0,0,0,0|1,0,0]=3 535 B7R0.3 CCCCC(=O)NC TS32169 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.3 CCCCC(=O)OC TS32226 [1,1,0,0,0,0|2,0,0]=4 537 B7R0.3 CCCOC(=O)C=C TS04429 [1,1,0,0,0,0|0,0,2]=4 538 B7R0.3 CCCOC(=O)CCl TS06137 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.3 CCCOC(=O)CN TS41315 [1,1,0,0,0,0|1,0,0]=3 540 B7R0.3 CCCOC(=O)OC TS32321 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.3 CCCSC(=O)CC TS05773 [1,1,0,0,0,0|0,1,0]=3 542 B7R0.3 COC(=O)CCCBr TS09599 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.3 COC(=O)CCCCl TS06131 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.3 COC(=O)CCCI TS52575 [1,1,0,0,0,0|2,0,0]=4 545 B7R0.3 COC(=O)CCCN TS41316 [1,1,0,0,0,0|2,0,0]=4 546 B7R0.3 COC(=O)CCSC TS05919 [1,1,0,0,0,0|2,0,0]=4 547 B7R0.3 COC(=O)OCC=C TS94827 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.3 COCCC(=O)OC TS32322 [1,1,0,0,0,0|2,0,0]=4 549 B7R0.3 COCOC(=C)CCl TS06136 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.7 C(CCl)C(=O)CCCl TS46816 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.7 C(CO)C(=O)CCO TS04717 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.7 C(OC(=O)OCCl)Cl TS42012 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.7 CCCC(=CCC)C TS31954 [1,1,0,0,0,0|2,0,0]=4 554 B7R0.7 CCCC(=O)CCC TS32100 [1,1,0,0,0,0|1,0,0]=3 555 B7R0.7 CCCC(=O)OC=C TS04453 [1,1,0,0,0,0|0,0,2]=4 556 B7R0.7 CCCC(=O)OCC TS32219 [1,1,0,0,0,0|0,0,0]=2 557 B7R0.7 CCCC(=O)OCCl TS55810 [1,1,0,0,0,0|1,0,0]=3 558 B7R0.7 CCCC(=S)OCC TS05779 [1,1,0,0,0,0|0,1,0]=3 559 B7R0.7 CCCC(=S)OCC TS07488 [1,1,0,0,0,0|0,1,0]=3 560 B7R0.7 CCCC(C)OCC TS32250 [1,1,0,0,0,0|1,0,1]=4 561 B7R0.7 CCCS(=O)CCC TS36875 [1,1,0,0,0,0|2,0,0]=4 562 B7R0.7 CCNC(=O)NCC TS04609 [1,1,0,0,0,0|1,0,0]=3 563 B7R0.7 CCNC(=O)OCC TS04671 [1,1,0,0,0,0|0,0,0]=2 564 B7R0.7 CCNC(=S)NCC TS05780 [1,1,0,0,0,0|1,1,0]=4 565 B7R0.7 CCOC(=C)OCC TS56207 [1,1,0,0,0,0|1,0,0]=3 566 B7R0.7 CCOC(=O)C#CC TS08727 [1,1,0,0,0,0|0,0,1]=3 567 B7R0.7 CCOC(=O)C=CC TS04436 [1,1,0,0,0,0|0,0,1]=3 568 B7R0.7 CCOC(=O)C=CI TS52258 [1,1,0,0,0,0|0,0,2]=4 569 B7R0.7 CCOC(=O)C=[N+]=[N-] TS77133 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.7 CCOC(=O)CC#C TS31911 [1,1,0,0,0,0|0,0,1]=3 571 B7R0.7 CCOC(=O)CC#N TS32007 [1,1,0,0,0,0|0,0,1]=3 572 B7R0.7 CCOC(=O)CC=C TS04444 [1,1,0,0,0,0|0,0,1]=3 573 B7R0.7 CCOC(=O)CCBr TS08511 [1,1,0,0,0,0|0,0,0]=2 574 B7R0.7 CCOC(=O)CCCl TS66003 [1,1,0,0,0,0|0,0,0]=2 575 B7R0.7 CCOC(=O)CCI TS56139 [1,1,0,0,0,0|0,0,0]=2 576 B7R0.7 CCOC(=O)CCN TS01886 [1,1,0,0,0,0|0,0,0]=2 577 B7R0.7 CCOC(=O)CCN TS04667 [1,1,0,0,0,0|0,0,0]=2 578 B7R0.7 CCOC(=O)CCS TS05923 [1,1,0,0,0,0|0,0,0]=2 579 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [1,1,0,0,0,0|0,0,0]=2 580 B7R0.7 CCOC(=O)CNC TS01479 [1,1,0,0,0,0|0,0,0]=2 581 B7R0.7 CCOC(=O)CNN TS56149 [1,1,0,0,0,0|1,0,0]=3 582 B7R0.7 CCOC(=O)COC TS32327 [1,1,0,0,0,0|0,0,0]=2 583 B7R0.7 CCOC(=O)CSC TS05917 [1,1,0,0,0,0|0,0,0]=2 584 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [1,1,0,0,0,0|0,0,1]=3 585 B7R0.7 CCOC(=O)N=C=O TS08726 [1,1,0,0,0,0|0,1,1]=4 586 B7R0.7 CCOC(=O)N=C=S TS08471 [1,1,0,0,0,0|0,0,2]=4 587 B7R0.7 CCOC(=O)NOC TS32378 [1,1,0,0,0,0|1,0,0]=3 588 B7R0.7 CCOC(=O)OCC TS32315 [1,1,0,0,0,0|0,0,0]=2 589 B7R0.7 CCOC(=O)OCCl TS37245 [1,1,0,0,0,0|1,0,0]=3 590 B7R0.7 CCOC(C)OCC TS04742 [1,1,0,0,0,0|1,0,1]=4 591 B7R0.7 CCOC(OCC)[SiH3] TS36880 [1,1,0,0,0,0|1,0,1]=4 592 B7R0.7 CCOP(C)OCC TS36977 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.7 CCOP(OCC)Cl TS10785 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.7 CCOP([O-])OCC TS01437 [1,1,0,0,0,0|1,0,1]=4 595 B7R0.7 CCOS(=O)OCC TS06288 [1,1,0,0,0,0|1,0,0]=3 596 B7R0.7 CCSC(=O)SCC TS40933 [1,1,0,0,0,0|0,1,0]=3 597 B7R0.10 CCC(=C(C)CC)C TS04354 [1,1,0,0,0,0|2,0,0]=4 598 B7R0.10 CCC(=C(C)CC)C TS31959 [1,1,0,0,0,0|2,0,0]=4 599 B7R0.10 CCC(C(=O)CC)O TS32221 [1,1,0,0,0,0|1,0,0]=3 600 B7R0.10 CCC(C(=O)OC)Br TS65236 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.10 CCC(C(=O)OC)Cl TS06135 [1,1,0,0,0,0|2,0,0]=4 602 B7R0.10 CCC(C(=O)OC)N TS41307 [1,1,0,0,0,0|2,0,0]=4 603 B7R0.10 CCC(C)C(=C)CC TS04351 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.10 CCC(C)C(=O)CC TS04477 [1,1,0,0,0,0|1,0,0]=3 605 B7R0.10 CCC(C)C(=O)OC TS04590 [1,1,0,0,0,0|2,0,0]=4 606 B7R0.10 CCC(C)C(=O)SC TS05776 [1,1,0,0,0,0|2,0,0]=4 607 B7R0.11 CCC(C)(C)OCC TS32244 [1,1,0,0,0,0|1,0,1]=4 608 B7R0.12 CCC=C(CC)CC TS04344 [1,1,0,0,0,0|2,0,0]=4 609 B7R0.14 CC(C)(C(=O)OC)Br TS60142 [1,1,0,0,0,0|1,0,0]=3 610 B7R0.14 CC(C)(C(=O)OC)F TS56254 [1,1,0,0,0,0|1,0,0]=3 611 B7R0.14 CC(C)(C(=O)OC)N TS01337 [1,1,0,0,0,0|1,0,0]=3 612 B7R0.14 CC(C)(C(=O)OC)O TS04713 [1,1,0,0,0,0|0,1,0]=3 613 B7R0.14 CC(C)(C)C(=O)CBr TS47672 [1,1,0,0,0,0|2,0,0]=4 614 B7R0.14 CC(C)(C)C(=O)CCl TS00046 [1,1,0,0,0,0|2,0,0]=4 615 B7R0.14 CC(C)(C)C(=O)NC TS32150 [1,1,0,0,0,0|2,0,0]=4 616 B7R0.14 CC(C)(C)C(=O)OC TS32211 [1,1,0,0,0,0|1,0,0]=3 617 B7R0.14 CCC(=O)C(C)(C)C TS04479 [1,1,0,0,0,0|1,0,0]=3 618 B7R0.14 CCC(=O)C(F)(F)F TS05124 [1,1,0,0,0,0|2,0,0]=4 619 B7R0.14 COC(=O)C(Cl)(Br)Br TS73530 [1,1,0,0,0,0|2,0,0]=4 620 B7R0.14 COC(=O)C(Cl)(Cl)Br TS50034 [1,1,0,0,0,0|2,0,0]=4 621 B7R0.14 COC(=O)C(Cl)(Cl)Cl TS46343 [1,1,0,0,0,0|2,0,0]=4 622 B7R0.14 COC(=O)C(F)(F)Cl TS40257 [1,1,0,0,0,0|2,0,0]=4 623 B7R0.14 COC(=O)C(F)(F)F TS05304 [1,1,0,0,0,0|2,0,0]=4 624 B7R0.15 CCC(=CC)C(C)C TS31976 [1,1,0,0,0,0|2,0,0]=4 625 B7R0.15 CCC(C=O)C(C)C TS32780 [1,1,0,0,0,0|1,0,1]=4 626 B7R0.16 CC(C(=O)C(C)Br)Br TS27079 [1,1,0,0,0,0|1,0,0]=3 627 B7R0.16 CC(C(=O)N(C)C)Br TS14492 [1,1,0,0,0,0|2,0,0]=4 628 B7R0.16 CC(C(=O)N(C)C)O TS32283 [1,1,0,0,0,0|1,1,0]=4 629 B7R0.16 CC(C)C(=O)C(C)C TS04472 [1,1,0,0,0,0|1,0,0]=3 630 B7R0.4 CC(C)COCCO TS04743 [1,1,0,0,0,0|1,0,1]=4 631 B7R0.4 CCC=CCC(C)C TS04361 [1,1,0,0,0,0|2,0,0]=4 632 B7R0.4 CCCC=CC(C)C TS04365 [1,1,0,0,0,0|2,0,0]=4 633 B7R0.4 CCCOCC(C)O TS04740 [1,1,0,0,0,0|0,1,1]=4 634 B7R0.4 CCOC=C[SiH](C)C TS05619 [1,1,0,0,0,0|1,1,0]=4 635 B7R0.6 CC(C)C=CC(C)C TS31957 [1,1,0,0,0,0|2,0,0]=4 636 B7R0.6 CC(C=CC(C)O)O TS04595 [1,1,0,0,0,0|1,1,0]=4 637 B7R0.8 CCC=CC(C)(C)C TS04367 [1,1,0,0,0,0|2,0,0]=4 638 B7R0.8 CCC=CC(C)(C)C TS04368 [1,1,0,0,0,0|2,0,0]=4 639 B9R0.4 CC(C)CC(=O)OCC=C TS06704 [0,1,0,0,0,1|1,0,1]=4 640 B9R0.4 CCCCC(=O)CC(C)C TS37639 [0,1,0,0,0,1|2,0,0]=4 641 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [0,1,0,0,0,1|0,1,1]=4 642 B9R0.4 CCCOC(=O)CC(C)C TS40218 [0,1,0,0,0,1|1,0,0]=3 643 B9R0.6 CCOC(=O)C(=O)C(C)C TS06953 [0,1,0,0,0,1|1,0,0]=3 644 B9R0.6 CCOC(=O)C(=O)N(C)C TS40286 [0,1,0,0,0,1|2,0,0]=4 645 B9R0.6 CCOC(=O)C(C(=O)C)Cl TS00067 [0,1,0,0,0,1|0,1,1]=4 646 B9R0.6 CCOC(=O)C(C(=O)C)F TS40607 [0,1,0,0,0,1|0,1,1]=4 647 B9R0.6 CCOC(=O)C(C(C)Br)Br TS74395 [0,1,0,0,0,1|1,0,0]=3 648 B9R0.6 CCOC(=O)C(C(C)C)Br TS55905 [0,1,0,0,0,1|1,0,0]=3 649 B9R0.6 CCOC(=O)C(C(C)C)N TS48167 [0,1,0,0,0,1|1,0,0]=3 650 B9R0.6 CCOC(=O)C(C)C(=O)C TS00094 [0,1,0,0,0,1|0,1,1]=4 651 B9R0.6 CCOC(=O)[C@@H](C(C)C)N TS48159 [0,1,0,0,0,1|1,0,0]=3 652 B9R0.6 CCOC(=O)[C@H](C(C)C)N TS48151 [0,1,0,0,0,1|1,0,0]=3 653 B9R0.6 CCOC(=O)[C@H]([C@@H](C)O)N TS48480 [0,1,0,0,0,1|0,1,0]=3 654 B9R0.23 CCC(C)C(=O)OC(C)C TS40221 [0,1,0,0,0,1|2,0,0]=4 655 B9R0.34 CCC(=O)CC(=O)OCC TS01475 [0,1,0,0,0,1|0,1,1]=4 656 B9R0.34 CCOC(=O)C=C(C)C=O TS37563 [0,1,0,0,0,1|0,1,1]=4 657 B9R0.34 CCOC(=O)C=C(C)CBr TS20309 [0,1,0,0,0,1|1,0,1]=4 658 B9R0.34 CCOC(=O)C=C(C)NC TS02839 [0,1,0,0,0,1|1,0,1]=4 659 B9R0.34 CCOC(=O)CC(=O)CBr TS70980 [0,1,0,0,0,1|0,1,1]=4 660 B9R0.34 CCOC(=O)CC(=O)CCl TS42828 [0,1,0,0,0,1|0,1,1]=4 661 B9R0.34 CCOC(=O)CC(C)SC TS11613 [0,1,0,0,0,1|0,0,0]=2 662 B9R0.34 CCOC(=O)C[C@@H](CBr)O TS21056 [0,1,0,0,0,1|0,1,0]=3 663 B9R0.34 CCOC(=O)C[C@@H](CCl)O TS08648 [0,1,0,0,0,1|0,1,0]=3 664 B9R0.34 CCOC(=O)C[C@H](CBr)O TS21055 [0,1,0,0,0,1|0,1,0]=3 665 B9R0.34 CCOC(=O)C[C@H](CCl)O TS39748 [0,1,0,0,0,1|0,1,0]=3 666 B9R0.34 CCOC(=O)NC(=O)CCl TS42960 [0,1,0,0,0,1|0,1,1]=4 667 B9R0.44 CCOC(=O)CC(C)(C)C TS06982 [0,1,0,0,0,1|1,0,0]=3 668 B9R0.44 CCOC(=O)CC(F)(F)F TS10642 [0,1,0,0,0,1|2,0,0]=4 669 B9R0.44 CCOC(=O)CS(=O)(=O)C TS43088 [0,1,0,0,0,1|1,1,0]=4 670 B9R0.44 CCOC(=O)C[Si](C)(C)C TS11315 [0,1,0,0,0,1|1,1,0]=4 671 B9R0.53 CC(C)CC(=O)CC(C)C TS06759 [0,1,0,0,0,1|2,0,0]=4 672 B9R0.53 CC(C)CC(=O)OC(C)C TS40215 [0,1,0,0,0,1|1,0,0]=3 673 B9R0.53 CC(C)CC(=S)OC(C)C TS42226 [0,1,0,0,0,1|1,1,0]=4 674 B9R0.53 CC(C)OC(=O)C=C(C)N TS01510 [0,1,0,0,0,1|1,0,1]=4 675 B9R0.53 CC(C)OC(=O)CC(=O)C TS06935 [0,1,0,0,0,1|0,1,1]=4 676 B9R0.53 CC(C)OC(=O)OC(C)C TS07212 [0,1,0,0,0,1|1,0,0]=3 677 B9R0.53 CC(C)OC(=O)OC(C)Cl TS12301 [0,1,0,0,0,1|1,0,0]=3 678 B9R0.53 CC(C)OS(=O)OC(C)C TS12272 [0,1,0,0,0,1|2,0,0]=4 679 B9R0.27 CCC(C)C(=O)C(C)CC TS06741 [0,2,0,0,0,0|2,0,0]=4 680 B9R0.8 CCCCC(=O)C(C)CC TS37636 [0,2,0,0,0,0|2,0,0]=4 681 B9R0.8 CCCOC(=O)C(=CC)C TS06700 [0,2,0,0,0,0|1,0,1]=4 682 B9R0.8 CCCOC(=O)C(C)CC TS40216 [0,2,0,0,0,0|1,0,0]=3 683 B9R0.19 CCOC(=O)C(C)(C)C#N TS06599 [0,2,0,0,0,0|1,0,0]=3 684 B9R0.19 CCOC(=O)C(C)(C)CCl TS11951 [0,2,0,0,0,0|1,0,0]=3 685 B9R0.19 CCOC(=O)C(C)(CBr)Br TS74393 [0,2,0,0,0,0|1,0,0]=3 686 B9R0.35 CCC=C(C)C(=O)OCC TS37603 [0,2,0,0,0,0|1,0,1]=4 687 B9R0.35 CCCC(=O)C(=O)OCC TS85095 [0,2,0,0,0,0|0,1,1]=4 688 B9R0.35 CCCC(C(=O)CCC)O TS40202 [0,2,0,0,0,0|1,1,0]=4 689 B9R0.35 CCCC(C(=O)OCC)Br TS20692 [0,2,0,0,0,0|1,0,0]=3 690 B9R0.35 CCCC(C(=O)OCC)O TS40414 [0,2,0,0,0,0|0,1,0]=3 691 B9R0.35 CCCC(C)C(=O)CCC TS06752 [0,2,0,0,0,0|2,0,0]=4 692 B9R0.35 CCCC(C)C(=O)OCC TS06992 [0,2,0,0,0,0|1,0,0]=3 693 B9R0.35 CCC[C@@H](C(=O)OCC)N TS48149 [0,2,0,0,0,0|1,0,0]=3 694 B9R0.35 CCOC(=O)C(=O)OCC TS01436 [0,2,0,0,0,0|0,1,1]=4 695 B9R0.35 CCOC(=O)C(C)C=C=C TS06463 [0,2,0,0,0,0|1,0,0]=3 696 B9R0.35 CCOC(=O)C(C)C=CC TS37595 [0,2,0,0,0,0|1,0,0]=3 697 B9R0.35 CCOC(=O)C(C)N=C=O TS06825 [0,2,0,0,0,0|0,1,0]=3 698 B9R0.35 CCOC(=O)C(C)N=C=S TS42067 [0,2,0,0,0,0|0,0,1]=3 699 B9R0.35 CCOC(=O)C(C)SSC TS14672 [0,2,0,0,0,0|0,0,0]=2 700 B9R0.35 CCOC(=O)C(CCBr)Br TS64882 [0,2,0,0,0,0|1,0,0]=3 701 B9R0.35 CCOC(C(=O)OCC)Cl TS12302 [0,2,0,0,0,0|1,0,0]=3 702 B9R0.35 CCOC(C(=O)OCC)O TS07404 [0,2,0,0,0,0|0,1,0]=3 703 B9R0.35 CCOC(C)C(=O)OCC TS40412 [0,2,0,0,0,0|0,1,0]=3 704 B9R0.37 CCC(CC)C(=O)OCC TS40212 [0,2,0,0,0,0|1,0,0]=3 705 B9R0.37 CCCC(=O)C(CC)CC TS06749 [0,2,0,0,0,0|2,0,0]=4 706 B9R0.37 CCOC(=O)C(C=O)C=O TS86342 [0,2,0,0,0,0|0,1,1]=4 707 B9R0.37 CCOC(=O)C(CBr)CBr TS74396 [0,2,0,0,0,0|1,0,0]=3 708 B9R0.3 C(CCl)OC(=O)C(F)(F)F TS13929 [0,2,0,0,0,0|2,0,0]=4 709 B9R0.3 CC(C)(C(=O)OCC=C)Br TS20308 [0,2,0,0,0,0|1,0,1]=4 710 B9R0.3 CCCCC(=O)C(C)(C)C TS06742 [0,2,0,0,0,0|2,0,0]=4 711 B9R0.7 CC(=C)COC(=O)C(=C)C TS06472 [0,2,0,0,0,0|1,0,1]=4 712 B9R0.7 CC(C(=O)NCC(=O)O)S TS42588 [0,2,0,0,0,0|1,0,1]=4 713 B9R0.7 CC(C)C(=O)CCN(C)C TS06877 [0,2,0,0,0,0|2,0,0]=4 714 B9R0.7 CC(C)COC(=O)C(=C)C TS37616 [0,2,0,0,0,0|1,0,1]=4 715 B9R0.7 CC(C)COC(=O)C(C)C TS40217 [0,2,0,0,0,0|1,0,0]=3 716 B9R0.7 CC(COC(=O)C(=C)C)O TS06952 [0,2,0,0,0,0|1,0,1]=4 717 B9R0.7 C[C@@H](C(=O)OCC(C)C)Cl TS11958 [0,2,0,0,0,0|1,0,0]=3 718 B9R0.7 C[C@H](C(=O)OCC(C)C)O TS40428 [0,2,0,0,0,0|0,1,0]=3 719 B9R0.42 CCC(C)OC(=O)C(=C)C TS06702 [0,2,0,0,0,0|1,0,1]=4 720 B9R0.47 CC(=C)C(=O)OCCC#N TS06360 [0,2,0,0,0,0|1,0,1]=4 721 B9R0.47 CC(=C)C(=O)OCCOC TS06936 [0,2,0,0,0,0|1,0,1]=4 722 B9R0.47 CC(=C)C(=O)OCCSC TS11295 [0,2,0,0,0,0|1,0,1]=4 723 B9R0.47 CCCCCC(=O)C(C)C TS37635 [0,2,0,0,0,0|2,0,0]=4 724 B9R0.47 CCCCOC(=O)C(=C)C TS37597 [0,2,0,0,0,0|1,0,1]=4 725 B9R0.47 CCCCOC(=O)C(=O)C TS06949 [0,2,0,0,0,0|0,1,1]=4 726 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [0,2,0,0,0,0|1,0,0]=3 727 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,2,0,0,0,0|1,0,0]=3 728 B9R0.47 CCCCOC(=O)C(F)Cl TS44945 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.47 CCCCOC(=O)C(F)F TS41099 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.10 CC(C)OC(=O)C(C)(C)Br TS20691 [0,2,0,0,0,0|1,0,0]=3 731 B9R0.10 CC(C)OC(=O)C(F)(F)F TS10638 [0,2,0,0,0,0|2,0,0]=4 732 B9R0.57 CC(=C)C(=O)OC(C)(C)C TS37593 [0,2,0,0,0,0|1,0,1]=4 733 B9R0.57 CC(C(=O)NC(C)(C)C)Cl TS11770 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.57 CC(C(=O)OC(C)(C)C)Br TS20686 [0,2,0,0,0,0|1,0,0]=3 735 B9R0.57 CC(C)C(=O)O[Si](C)(C)C TS09097 [0,2,0,0,0,0|1,1,0]=4 736 B9R0.57 C[C@@H](C(=O)OC(C)(C)C)N TS56171 [0,2,0,0,0,0|1,0,0]=3 737 B9R0.57 C[C@H](C(=O)OC(C)(C)C)N TS59390 [0,2,0,0,0,0|1,0,0]=3 738 B9R0.57 C[C@H](C(=O)OC(C)(C)C)O TS40418 [0,2,0,0,0,0|0,1,0]=3 739 B7R1.1 CCC1=CCCC1 TS03731 [1,0,0,1,0,0|2,0,0]=4 740 B7R1.1 CCC1=NCCO1 TS03816 [1,0,0,1,0,0|1,0,0]=3 741 B7R1.1 CCC1OCCO1 TS03937 [1,0,0,1,0,0|0,0,2]=4 742 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [1,0,0,1,0,0|2,0,0]=4 743 B7R1.2 C1C(OC(=O)O1)F TS31724 [1,0,0,1,0,0|2,0,0]=4 744 B7R1.2 C1CC(=O)OC1=O TS31489 [1,0,0,1,0,0|1,0,1]=4 745 B7R1.2 C=C1CCC(=O)O1 TS03758 [1,0,0,1,0,0|0,0,2]=4 746 B7R1.2 CC1=CC(=O)CC1 TS60019 [1,0,0,1,0,0|1,0,1]=4 747 B7R1.2 CC1=CCC(=O)O1 TS03764 [1,0,0,1,0,0|0,0,2]=4 748 B7R1.2 CC1CCC(O1)C TS47281 [1,0,0,1,0,0|1,0,1]=4 749 B7R1.2 CC1COC(=O)O1 TS08062 [1,0,0,1,0,0|1,0,0]=3 750 B7R1.2 CC1COC(=O)O1 TS93060 [1,0,0,1,0,0|1,0,0]=3 751 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,0,0,1,0,0|0,0,0]=2 752 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [1,0,0,1,0,0|2,0,0]=4 753 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [1,0,0,1,0,0|2,0,0]=4 754 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [1,0,0,1,0,0|1,0,0]=3 755 B7R1.3 C1CC(=O)CNC1 TS02886 [1,0,0,1,0,0|2,0,0]=4 756 B7R1.3 C1CC(=O)CNC1 TS59353 [1,0,0,1,0,0|2,0,0]=4 757 B7R1.3 C1CC(=O)COC1 TS22954 [1,0,0,1,0,0|1,1,0]=4 758 B7R1.3 C1CC(=O)COC1 TS89862 [1,0,0,1,0,0|1,1,0]=4 759 B7R1.3 C1CC(=O)CSC1 TS90226 [1,0,0,1,0,0|1,0,0]=3 760 B7R1.3 C1CC=CC(=O)C1 TS39840 [1,0,0,1,0,0|1,0,1]=4 761 B7R1.3 C1CCC(=CC1)Cl TS04654 [1,0,0,1,0,0|2,0,0]=4 762 B7R1.3 C1CCC(=O)CC1 TS31441 [1,0,0,1,0,0|1,0,0]=3 763 B7R1.3 C1CCNC(=N)C1 TS05957 [1,0,0,1,0,0|2,0,0]=4 764 B7R1.3 C1CCNC(=O)C1 TS01420 [1,0,0,1,0,0|1,0,0]=3 765 B7R1.3 C1CCOC(=O)C1 TS01892 [1,0,0,1,0,0|0,0,0]=2 766 B7R1.3 C1CCOC(C1)O TS31590 [1,0,0,1,0,0|0,0,2]=4 767 B7R1.3 C1CNC(=O)CN1 TS59349 [1,0,0,1,0,0|2,0,0]=4 768 B7R1.3 C1CNC(=O)NC1 TS59429 [1,0,0,1,0,0|2,0,0]=4 769 B7R1.3 C1CNCCC1=O TS02248 [1,0,0,1,0,0|2,0,0]=4 770 B7R1.3 C1CNCCC1=O TS71284 [1,0,0,1,0,0|2,0,0]=4 771 B7R1.3 C1COC(=O)C=C1 TS03767 [1,0,0,1,0,0|0,0,2]=4 772 B7R1.3 C1COC(=O)CO1 TS31576 [1,0,0,1,0,0|0,1,0]=3 773 B7R1.3 C1COC(=O)OC1 TS31584 [1,0,0,1,0,0|1,0,0]=3 774 B7R1.3 C1COCC(=O)N1 TS01573 [1,0,0,1,0,0|1,1,0]=4 775 B7R1.3 C1COCCC1=O TS59431 [1,0,0,1,0,0|2,0,0]=4 776 B7R1.3 C1COS(=O)OC1 TS85276 [1,0,0,1,0,0|2,0,0]=4 777 B7R1.3 C1CSCCC1=O TS59432 [1,0,0,1,0,0|2,0,0]=4 778 B7R1.3 CC1CCCCO1 TS31512 [1,0,0,1,0,0|1,0,1]=4 779 B7R1.4 C1CC(C(=O)C1)Br TS55161 [1,0,0,1,0,0|2,0,0]=4 780 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [1,0,0,1,0,0|2,0,0]=4 781 B7R1.4 C1CNC(=O)C1N TS94857 [1,0,0,1,0,0|2,0,0]=4 782 B7R1.4 C1CNC(=O)C1O TS02803 [1,0,0,1,0,0|1,1,0]=4 783 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [1,0,0,1,0,0|1,1,0]=4 784 B7R1.4 C1COC(=O)C1Br TS65029 [1,0,0,1,0,0|1,0,0]=3 785 B7R1.4 C1COC(=O)C1O TS70622 [1,0,0,1,0,0|0,1,0]=3 786 B7R1.4 C1COC(=O)N1N TS03931 [1,0,0,1,0,0|2,0,0]=4 787 B7R1.4 C1COC(=O)N1N TS18967 [1,0,0,1,0,0|2,0,0]=4 788 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [1,0,0,1,0,0|1,0,0]=3 789 B7R1.4 C1COC(=O)[C@H]1N TS37131 [1,0,0,1,0,0|1,0,0]=3 790 B7R1.4 C1CSC(=O)C1N TS41321 [1,0,0,1,0,0|1,1,0]=4 791 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [1,0,0,1,0,0|1,1,0]=4 792 B7R1.4 C=C1CCOC1=O TS46473 [1,0,0,1,0,0|0,0,2]=4 793 B7R1.4 CC1=C(CCO1)S TS04610 [1,0,0,1,0,0|1,0,1]=4 794 B7R1.4 CC1=C(CCO1)S TS11013 [1,0,0,1,0,0|1,0,1]=4 795 B7R1.4 CC1=CCOC1=O TS03756 [1,0,0,1,0,0|0,0,2]=4 796 B7R1.4 CC1C(=O)CCO1 TS31501 [1,0,0,1,0,0|2,0,0]=4 797 B7R1.4 CC1C(=O)CCS1 TS04612 [1,0,0,1,0,0|2,0,0]=4 798 B7R1.4 CC1C(CCO1)S TS32361 [1,0,0,1,0,0|1,0,1]=4 799 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,1,0,0|2,0,0]=4 800 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,1,0,0|1,0,0]=3 801 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,1,0,0|0,0,0]=2 802 B7R1.4 CN1CCCC1=O TS46986 [1,0,0,1,0,0|2,0,0]=4 803 B7R1.8 C1CC(=O)C1CO TS92430 [1,0,0,1,0,0|2,0,0]=4 804 B7R1.21 CCOC1(CC1)Br TS42848 [1,0,0,1,0,0|1,0,1]=4 805 B7R1.22 C1CC1C(=O)CBr TS55070 [1,0,0,1,0,0|2,0,0]=4 806 B7R1.22 COC(=O)C1CC1 TS77154 [1,0,0,1,0,0|2,0,0]=4 807 B7R1.7 CCOCC1CO1 TS03943 [1,0,0,1,0,0|0,1,1]=4 808 B7R1.14 CC1(CCOC1)N TS86382 [1,0,0,1,0,0|1,0,1]=4 809 B9R1.34 CC1CC(=CC(=O)O1)O TS36271 [0,0,0,1,0,1|0,1,1]=4 810 B9R1.34 CC1CC(=O)CC(O1)C TS05346 [0,0,0,1,0,1|1,1,0]=4 811 B9R1.34 CC1CC(CC(=O)C1)C TS22764 [0,0,0,1,0,1|2,0,0]=4 812 B9R1.34 C[C@@H]1C[C@@H](CC(=O)C1)C TS36153 [0,0,0,1,0,1|2,0,0]=4 813 B9R1.41 CC(=O)C1CCOC1=O TS08258 [0,0,0,1,0,1|0,1,1]=4 814 B9R1.41 CC(=O)N1CCOC1=O TS05431 [0,0,0,1,0,1|0,1,1]=4 815 B9R1.41 CC(C)N1CCCC1=O TS36238 [0,0,0,1,0,1|2,0,0]=4 816 B9R1.48 CC1CC(=O)NCCN1 TS86852 [0,0,0,1,0,1|2,0,0]=4 817 B9R1.66 CC1(CCCC(=O)C1)C TS05189 [0,0,0,1,0,1|2,0,0]=4 818 B9R1.66 CC1(CCOC(=O)C1)O TS05520 [0,0,0,1,0,1|0,1,0]=3 819 B9R1.66 C[C@]1(CCOC(=O)C1)O TS05519 [0,0,0,1,0,1|0,1,0]=3 820 B9R1.75 CCOC(=O)C[C@@H]1CO1 TS05527 [0,0,0,1,0,1|0,1,0]=3 821 B9R1.137 CC(C)OC(=O)C1CC1 TS36299 [0,0,0,1,0,1|2,0,0]=4 822 B9R1.183 CCOC(=O)C1CC1C TS32692 [0,0,0,1,0,1|1,0,0]=3 823 B9R1.183 CCOC(=O)[C@@H]1C[C@H]1F TS36653 [0,0,0,1,0,1|1,0,0]=3 824 B9R1.183 CCOC(=O)[C@@H]1[C@@H](O1)C TS05523 [0,0,0,1,0,1|0,1,0]=3 825 B9R1.3 CC1C(=O)CCCC1=O TS05155 [0,1,0,1,0,0|1,1,0]=4 826 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.3 CN1CCCC(C1=O)N TS88173 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.37 CC1C(=C(C(=O)O1)O)C TS36275 [0,1,0,1,0,0|0,1,1]=4 829 B9R1.138 CC1CCC(C1=O)(C)C TS05175 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,1,0,1,0,0|2,0,0]=4 831 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,1,0,1,0,0|2,0,0]=4 832 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.5 C1CSC[C@@H](C(=O)N1)N TS46614 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.15 C1CCC(=O)C(C1)C#N TS04966 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.15 CCC1C(=O)NCCN1 TS05358 [0,1,0,1,0,0|2,0,0]=4 836 B9R1.15 COC1CCCCC1=O TS05343 [0,1,0,1,0,0|1,1,0]=4 837 B9R1.15 COC1CCCNC1=O TS00160 [0,1,0,1,0,0|1,1,0]=4 838 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [0,1,0,1,0,0|1,1,0]=4 839 B9R1.15 CSC1CCCCC1=O TS40228 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,1,0,1,0,0|2,0,0]=4 841 B9R1.69 CC1CN(CCC1=O)C TS00372 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.73 CCOC(=O)C1CCC1 TS59781 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.73 CCOC(=O)C1CNC1 TS42980 [0,1,0,1,0,0|1,0,0]=3 844 B9R1.74 CCOC(=O)C1(CC1)C TS77135 [0,1,0,1,0,0|1,0,0]=3 845 B9R1.74 CCOC(=O)C1(CC1)N TS00390 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.23 CC1C(=O)OC(=N1)CN TS05316 [0,1,0,1,0,0|1,0,1]=4 847 B9R1.23 CCC1N=C(C(S1)C)C TS06882 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.23 CN1C[C@@H](OC1=O)CO TS05636 [0,1,0,1,0,0|2,0,0]=4 849 B9R1.40 CC1(CCCCC1=O)C TS05203 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.40 CC1(CCCCC1=O)Cl TS07287 [0,1,0,1,0,0|2,0,0]=4 851 B9R1.40 CC1(CCCOC1=O)C TS36287 [0,1,0,1,0,0|1,0,0]=3 852 B9R1.40 CC1(CNCCC1=O)C TS90878 [0,1,0,1,0,0|2,0,0]=4 853 B9R1.100 CCCNC(=O)C1CC1 TS05284 [0,1,0,1,0,0|2,0,0]=4 854 B9R1.36 CC1C(=O)OC(S1)(C)C TS40452 [0,1,0,1,0,0|0,0,0]=2 855 B9R1.36 CC1CC(CC1=O)(C)C TS36158 [0,1,0,1,0,0|2,0,0]=4 856 B9R2.19 C1C2CNC(=O)C1N2 TS90991 [0,0,0,2,0,0|2,0,0]=4 857 B9R2.39 C1C2CNC1C(=O)O2 TS04374 [0,0,0,2,0,0|1,0,0]=3 858 B9R2.39 C1C[C@H]2C[C@@H]1C(=O)N2 TS04254 [0,0,0,2,0,0|2,0,0]=4 859 B9R2.109 C1CC2C(O2)C(=O)C1 TS31907 [0,0,0,2,0,0|1,1,0]=4 860 B9R2.87 C1CC1C(=O)C2CC2 TS55853 [0,0,0,2,0,0|2,0,0]=4 861 B9R0.48 CCCC(=O)OCC(C)C TS06993 [0,0,0,0,0,2|2,0,0]=4 862 B9R0.48 CCOC(=O)C=CN(C)C TS08503 [0,0,0,0,0,2|2,0,0]=4 863 B9R0.48 CCOC(=O)CCC(=O)C TS60125 [0,0,0,0,0,2|0,1,1]=4 864 B9R0.48 CCOC(=O)CCC(C)C TS06969 [0,0,0,0,0,2|1,0,0]=3 865 B9R0.48 CCOC(=O)CCC(C)Cl TS09014 [0,0,0,0,0,2|1,0,0]=3 866 B9R0.48 CCOC(=O)CCN(C)C TS07109 [0,0,0,0,0,2|2,0,0]=4 867 B9R0.48 CCOC(=O)CNC(=O)C TS40290 [0,0,0,0,0,2|0,1,1]=4