0 B8R0.8 CC(=C)C(=O)NCCO TS36409 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 CC(=C)C(=O)NCOC TS36403 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.8 CC(=C)C(=O)OCCBr TS17607 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.8 CC(=C)C(=O)OCCCl TS40704 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.8 CC(=C)C(=O)OCCF TS36652 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.8 CC(=C)C(=O)OCCN TS42970 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.8 CC(=C)C(=O)OCCO TS05522 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.8 CC(C(=O)NCCO)O TS05811 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.8 CC(C(=O)OCC=C)Br TS51582 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.8 CC(C(=O)OCC=C)O TS05524 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.8 CC(C)C(=O)OCC=C TS36305 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.8 CCCCC(=C(C)C)C TS05209 [0,0,0,0,0,0|1,0,1]=2 12 B8R0.8 CCCCC(=O)C(=O)C TS05337 [0,0,0,0,0,0|1,0,1]=2 13 B8R0.8 CCCCC(=O)C(=O)[O-] TS41093 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.8 CCCCC(=O)C(C)C TS36328 [0,0,0,0,0,0|0,0,0]=0 15 B8R0.8 CCCCC(=O)N(C)C TS05483 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.8 CCCCC(C(=C)C)O TS36338 [0,0,0,0,0,0|0,0,4]=4 17 B8R0.8 CCCCC(C(C)C)O TS05585 [0,0,0,0,0,0|0,0,2]=2 18 B8R0.8 CCCCC(C)C(=O)C TS05385 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.8 CCCCC(C)C(C)C TS05429 [0,0,0,0,0,0|1,0,1]=2 20 B8R0.8 CCCCC(C)C(C)O TS05586 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.8 CCCOC(=O)C(=C)C TS36313 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.8 CCCOC(=O)C(=O)C TS40210 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.8 CCCOC(=O)C(C)O TS05710 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [0,0,0,0,0,0|2,0,0]=2 25 B8R0.8 CN(C)C(=O)CCCCl TS40801 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.8 CSCCC(=O)C(=O)[O-] TS12781 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.3 C(CC(=O)NN)CO TS32340 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.3 CCC#CC(=O)OC TS31922 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.3 CCC(=O)NCCO TS32284 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.3 CCC(=O)OCC#C TS31921 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.3 CCC(=O)OCC=C TS04450 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.3 CCC=CC(=O)OC TS56262 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.3 CCCCC(=C)CC TS04366 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.3 CCCCC(=CC)C TS04336 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.3 CCCCC(=NO)C TS04540 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.3 CCCCC(=O)CC TS04462 [1,0,0,0,0,0|0,0,0]=1 37 B7R0.3 CCCCC(=O)NC TS32169 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.3 CCCCC(=O)NN TS04606 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.3 CCCCC(=O)OC TS32226 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.3 CCCCC(C)CBr TS14345 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.3 CCCCC(C)CC TS32121 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.3 CCCCC(C)CO TS32251 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.3 CCCCC(CBr)Br TS85274 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.3 CCCCC(CC)Br TS14340 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.3 CCCCC(CC)N TS04554 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.3 CCCCC(CC)O TS04628 [1,0,0,0,0,0|0,0,2]=3 47 B7R0.3 CCCCC(CCl)Cl TS10545 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.3 CCCCC(CO)N TS32290 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.3 CCCCC(CO)O TS32342 [1,0,0,0,0,0|1,0,2]=4 50 B7R0.3 CCCC[C@@H](CO)N TS32293 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.3 CCCC[C@H](CO)N TS32292 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.3 CCCNC(C)CC TS04555 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.3 CCCOC(=O)C=C TS04429 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.3 CCCOC(=O)CCl TS06137 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.3 CCCOC(=O)CN TS41315 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.3 CCCOC(=O)OC TS32321 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.3 CCCSC(=O)CC TS05773 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.3 CC[C@H](C)CCCO TS04624 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.3 COC(=O)CCC#N TS02730 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.3 COC(=O)CCC=O TS02246 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.3 COC(=O)CCCBr TS09599 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.3 COC(=O)CCCCl TS06131 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.3 COC(=O)CCCI TS52575 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.3 COC(=O)CCCN TS41316 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.3 COC(=O)CCSC TS05919 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.3 COCCC(=O)NN TS32330 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.3 COCCC(=O)OC TS32322 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.4 CC#CCCC(C)C TS31843 [1,0,0,0,0,0|0,0,3]=4 69 B7R0.4 CC(=CCCC=C)C TS31846 [1,0,0,0,0,0|0,0,3]=4 70 B7R0.4 CC(C)CCCC=C TS31960 [1,0,0,0,0,0|0,0,3]=4 71 B7R0.4 CC(C)CCCCBr TS14341 [1,0,0,0,0,0|1,0,1]=3 72 B7R0.4 CC(C)CCCCCl TS36890 [1,0,0,0,0,0|1,0,1]=3 73 B7R0.4 CC(C)COCCO TS04743 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.4 CC(C)CSCCO TS36873 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.4 CC(C)NCCCN TS04629 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.4 CC(C)NCCOC TS32291 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.4 CC(C)OCCC#N TS32022 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.4 CC(C)OCCCN TS32297 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.4 CC(CCCCO)O TS04744 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.4 CC=CCCC(C)C TS31977 [1,0,0,0,0,0|0,0,3]=4 81 B7R0.4 CCC#CCC(C)C TS04215 [1,0,0,0,0,0|0,0,3]=4 82 B7R0.4 CCC=CCC(C)C TS04361 [1,0,0,0,0,0|0,0,3]=4 83 B7R0.4 CCCC=CC(=O)C TS31936 [1,0,0,0,0,0|1,0,2]=4 84 B7R0.4 CCCC=CC(C)C TS04365 [1,0,0,0,0,0|0,0,1]=2 85 B7R0.4 CCCCC=C(C)C TS04347 [1,0,0,0,0,0|0,0,1]=2 86 B7R0.4 CCCCCC(=C)C TS04340 [1,0,0,0,0,0|0,0,3]=4 87 B7R0.4 CCCCCC(=O)C TS32098 [1,0,0,0,0,0|1,0,2]=4 88 B7R0.4 CCCCCC(C)Br TS14342 [1,0,0,0,0,0|1,0,1]=3 89 B7R0.4 CCCCCC(C)C TS32120 [1,0,0,0,0,0|0,0,1]=2 90 B7R0.4 CCCCCC(C)Cl TS05959 [1,0,0,0,0,0|1,0,1]=3 91 B7R0.4 CCCCCC(C)N TS04560 [1,0,0,0,0,0|1,0,1]=3 92 B7R0.4 CCCCCC(C)O TS32255 [1,0,0,0,0,0|1,0,1]=3 93 B7R0.4 CCCCC[C@@H](C)N TS04556 [1,0,0,0,0,0|1,0,1]=3 94 B7R0.4 CCCCC[C@@H](C)O TS04622 [1,0,0,0,0,0|1,0,1]=3 95 B7R0.4 CCCCC[C@H](C)N TS04553 [1,0,0,0,0,0|1,0,1]=3 96 B7R0.4 CCCCC[C@H](C)O TS32248 [1,0,0,0,0,0|1,0,1]=3 97 B7R0.4 CCCCNC(=O)C TS32171 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.4 CCCCOC(=O)C TS32218 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.4 CCCCOC(=S)C TS05777 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.4 CCCCOC(Cl)Cl TS10816 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.4 CCCCSC(C)C TS05791 [1,0,0,0,0,0|1,0,0]=2 102 B7R0.4 CCCOCC(C)O TS04740 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.4 CCCSCC(C)C TS05789 [1,0,0,0,0,0|1,0,1]=3 104 B7R0.4 CCNCCN(C)C TS04631 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.4 CCOC=C[SiH](C)C TS05619 [1,0,0,0,0,0|1,1,1]=4 106 B7R0.4 CCSCCC(C)C TS05793 [1,0,0,0,0,0|1,0,1]=3 107 B7R0.4 CN(C)CCCCN TS32257 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.4 CN(C)CCCCO TS32288 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.4 CNCCCN(C)C TS08611 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.4 C[C@H](CCCCO)O TS04737 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.5 CC(C)C(=O)CC#N TS60063 [1,0,0,0,0,0|1,0,1]=3 112 B7R0.5 CC(C)N(C)CCO TS32296 [1,0,0,0,0,0|3,0,0]=4 113 B7R0.5 CCC=C(C)C(C)C TS31953 [1,0,0,0,0,0|1,0,1]=3 114 B7R0.5 CCC=C(C)C(C)O TS04482 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.5 CCCC(=C(C)C)C TS04362 [1,0,0,0,0,0|1,0,1]=3 116 B7R0.5 CCCC(=C)C(C)C TS04341 [1,0,0,0,0,0|1,0,0]=2 117 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,0,0,0,0,0|1,0,1]=3 118 B7R0.5 CCCC(=O)C(=O)O TS32183 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.5 CCCC(=O)C(C)C TS32114 [1,0,0,0,0,0|0,0,0]=1 121 B7R0.5 CCCC(=O)N(C)C TS32149 [1,0,0,0,0,0|1,0,0]=2 122 B7R0.5 CCCC(C(C)Br)Br TS61926 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.5 CCCC(C(C)C)O TS32239 [1,0,0,0,0,0|0,0,2]=3 124 B7R0.5 CCCC(C)C(C)C TS04507 [1,0,0,0,0,0|1,0,1]=3 125 B7R0.5 CCCC(C)C(C)O TS32245 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.5 CCNC(=O)C(=C)C TS04389 [1,0,0,0,0,0|1,0,2]=4 127 B7R0.5 CCNC(C)C(C)C TS04548 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.5 CCOC(=O)C(=C)C TS00098 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.5 CCOC(=O)C(Br)Br TS27397 [1,0,0,0,0,0|3,0,0]=4 131 B7R0.5 CCOC(=O)C(C)Br TS55906 [1,0,0,0,0,0|2,0,0]=3 132 B7R0.5 CCOC(=O)C(C)C TS32217 [1,0,0,0,0,0|1,0,0]=2 133 B7R0.5 CCOC(=O)C(C)Cl TS55916 [1,0,0,0,0,0|2,0,0]=3 134 B7R0.5 CCOC(=O)C(C)F TS32420 [1,0,0,0,0,0|2,0,0]=3 135 B7R0.5 CCOC(=O)C(C)N TS55877 [1,0,0,0,0,0|2,0,0]=3 136 B7R0.5 CCOC(=O)C(C)O TS04714 [1,0,0,0,0,0|2,0,0]=3 137 B7R0.5 CCOC(=O)C(C)S TS05920 [1,0,0,0,0,0|2,0,0]=3 138 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [1,0,0,0,0,0|3,0,0]=4 139 B7R0.5 CCOC(=O)C(F)Br TS15410 [1,0,0,0,0,0|3,0,0]=4 140 B7R0.5 CCOC(=O)C(F)Cl TS37443 [1,0,0,0,0,0|3,0,0]=4 141 B7R0.5 CCOC(=O)C(F)F TS39847 [1,0,0,0,0,0|3,0,0]=4 142 B7R0.5 CCOC(=O)C(F)I TS53245 [1,0,0,0,0,0|3,0,0]=4 143 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [1,0,0,0,0,0|2,0,0]=3 144 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [1,0,0,0,0,0|2,0,0]=3 145 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [1,0,0,0,0,0|2,0,0]=3 146 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [1,0,0,0,0,0|2,0,0]=3 147 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [1,0,0,0,0,0|2,0,0]=3 148 B7R0.5 CN(C)C(=O)CC#N TS31923 [1,0,0,0,0,0|2,0,1]=4 149 B9R0.3 CC(C)(C(=O)OCC=C)Br TS20308 [0,1,0,0,0,0|1,0,2]=4 150 B9R0.3 CC(C)([C@@H](CCSC)N)O TS90798 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.3 CC(C)([C@H](CCSC)N)O TS90793 [0,1,0,0,0,0|2,0,1]=4 152 B9R0.3 CCCCC(=O)C(C)(C)C TS06742 [0,1,0,0,0,0|0,0,0]=1 153 B9R0.3 CCCCC(C(C)(C)C)O TS07018 [0,1,0,0,0,0|0,0,2]=3 154 B9R0.6 CCCC(C(C)C(C)O)O TS07251 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.6 CCCC(C)C(=O)C(C)C TS06761 [0,1,0,0,0,0|0,0,0]=1 156 B9R0.6 CCCC(C)C(C(C)C)O TS40244 [0,1,0,0,0,0|0,0,2]=3 157 B9R0.6 CCOC(=O)C(=O)C(C)C TS06953 [0,1,0,0,0,0|1,0,1]=3 158 B9R0.6 CCOC(=O)C(=O)N(C)C TS40286 [0,1,0,0,0,0|2,0,1]=4 159 B9R0.6 CCOC(C)C(=O)C(O)O TS07406 [0,1,0,0,0,0|3,0,0]=4 160 B9R0.7 CC(C)C(=O)CCN(C)C TS06877 [0,1,0,0,0,0|1,0,0]=2 161 B9R0.7 CC(C)CCC(C(C)C)O TS07016 [0,1,0,0,0,0|0,0,2]=3 162 B9R0.7 CC(C)COC(=O)C(=C)C TS37616 [0,1,0,0,0,0|1,0,2]=4 163 B9R0.7 CC(C)COC(=O)C(C)C TS40217 [0,1,0,0,0,0|1,0,0]=2 164 B9R0.7 CC(CNC(=O)C(=C)C)O TS40079 [0,1,0,0,0,0|1,0,2]=4 165 B9R0.7 CC(COC(=O)C(=C)C)O TS06952 [0,1,0,0,0,0|1,0,2]=4 166 B9R0.7 CN(C)C(=O)CCC(=O)O TS40298 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.7 C[C@@H](C(=O)OCC(C)C)Cl TS11958 [0,1,0,0,0,0|2,0,0]=3 168 B9R0.7 C[C@H](C(=O)OCC(C)C)O TS40428 [0,1,0,0,0,0|2,0,0]=3 169 B9R0.8 CCCCC(=O)C(C)CC TS37636 [0,1,0,0,0,0|0,0,0]=1 170 B9R0.8 CCCCC(C(C)CC)O TS07019 [0,1,0,0,0,0|0,0,2]=3 171 B9R0.8 CCCCC(C(CO)O)O TS40633 [0,1,0,0,0,0|1,0,2]=4 172 B9R0.8 CCCOC(=O)C(=CC)C TS06700 [0,1,0,0,0,0|1,0,1]=3 173 B9R0.8 CCCOC(=O)C(C)CC TS40216 [0,1,0,0,0,0|1,0,0]=2 174 B9R0.13 CCCCC(CC)C(C)C TS06783 [0,1,0,0,0,0|1,0,1]=3 175 B9R0.13 CCCCC(CC)C(C)O TS07024 [0,1,0,0,0,0|2,0,1]=4 176 B9R0.42 CC(C(=O)CC(=O)OC)Br TS43586 [0,1,0,0,0,0|2,0,1]=4 177 B9R0.42 CC(C)C(=O)CC(=O)OC TS06942 [0,1,0,0,0,0|1,0,1]=3 178 B9R0.42 CCC(C)OC(=O)C(=C)C TS06702 [0,1,0,0,0,0|1,0,2]=4 179 B9R0.47 CC(=C)C(=O)NCCCN TS56336 [0,1,0,0,0,0|1,0,2]=4 180 B9R0.47 CC(=C)C(=O)OCCOC TS06936 [0,1,0,0,0,0|1,0,2]=4 181 B9R0.47 CC(=C)C(=O)OCCSC TS11295 [0,1,0,0,0,0|1,0,2]=4 182 B9R0.47 CCCCCC(=C(C)C)C TS06522 [0,1,0,0,0,0|1,0,1]=3 183 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [0,1,0,0,0,0|1,0,1]=3 184 B9R0.47 CCCCCC(=O)C(C)C TS37635 [0,1,0,0,0,0|0,0,0]=1 185 B9R0.47 CCCCCC(=O)N(C)C TS40099 [0,1,0,0,0,0|1,0,0]=2 186 B9R0.47 CCCCCC(C(C)C)O TS40248 [0,1,0,0,0,0|0,0,2]=3 187 B9R0.47 CCCCCC(C)C(C)C TS06796 [0,1,0,0,0,0|1,0,1]=3 188 B9R0.47 CCCCNC(=O)C(=C)C TS64944 [0,1,0,0,0,0|0,0,2]=3 189 B9R0.47 CCCCNC(=O)N(C)C TS06999 [0,1,0,0,0,0|1,0,0]=2 190 B9R0.47 CCCCOC(=O)C(=C)C TS37597 [0,1,0,0,0,0|0,0,2]=3 191 B9R0.47 CCCCOC(=O)C(=C)F TS40404 [0,1,0,0,0,0|1,0,2]=4 192 B9R0.47 CCCCOC(=O)C(=O)C TS06949 [0,1,0,0,0,0|1,0,1]=3 193 B9R0.47 CCCCOC(=O)C(=O)N TS40299 [0,1,0,0,0,0|2,0,1]=4 194 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [0,1,0,0,0,0|1,0,0]=2 195 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,1,0,0,0,0|0,0,0]=1 196 B9R0.47 CCCCOC(=O)C(F)Cl TS44945 [0,1,0,0,0,0|2,0,0]=3 197 B9R0.47 CCCCOC(=O)C(F)F TS41099 [0,1,0,0,0,0|2,0,0]=3 198 B9R0.51 CCCCC(C)(C(C)C)O TS07023 [0,1,0,0,0,0|0,0,2]=3 199 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [0,0,0,1,0,0|2,0,0]=3 200 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,0,0,1,0,0|2,0,0]=3 201 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,0,0,1,0,0|2,0,0]=3 202 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,0,0,1,0,0|2,0,0]=3 203 B9R1.5 C1CC[C@@H]([C@H](CC1)O)O TS05544 [0,0,0,1,0,0|1,0,2]=4 204 B9R1.5 C1CC[C@H]([C@@H](CC1)O)O TS05561 [0,0,0,1,0,0|1,0,2]=4 205 B9R1.5 C1CSC[C@@H](C(=O)N1)N TS46614 [0,0,0,1,0,0|3,0,0]=4 206 B9R1.5 CN1CCCCCC1=O TS36239 [0,0,0,1,0,0|1,0,0]=2 207 B9R1.5 CN1CCCNCC1=O TS05356 [0,0,0,1,0,0|2,0,0]=3 208 B9R1.6 CC(=O)C1=CCCCC1 TS36007 [0,0,0,1,0,0|2,0,1]=4 209 B9R1.6 CC(C)C1=CCCCC1 TS05054 [0,0,0,1,0,0|1,0,0]=2 210 B9R1.6 CC(C)C1CNCCN1 TS19165 [0,0,0,1,0,0|2,0,1]=4 211 B9R1.6 CC(C)N1CCNCC1 TS19168 [0,0,0,1,0,0|3,0,0]=4 212 B9R1.6 CC(C)N1CCNCC1 TS56406 [0,0,0,1,0,0|3,0,0]=4 213 B9R1.6 CC(C)[C@@H]1CNCCN1 TS19167 [0,0,0,1,0,0|2,0,1]=4 214 B9R1.6 CC(C)[C@H]1CNCCN1 TS36350 [0,0,0,1,0,0|2,0,1]=4 215 B9R1.6 CC(C1CCCCC1)O TS36346 [0,0,0,1,0,0|2,0,1]=4 216 B9R1.6 CN(C)C1CCCCC1 TS36253 [0,0,0,1,0,0|2,0,1]=4 217 B9R1.6 C[C@@H](C1CCCCC1)N TS36257 [0,0,0,1,0,0|2,0,1]=4 218 B9R1.6 C[C@H](C1CCCCC1)N TS36259 [0,0,0,1,0,0|2,0,1]=4 219 B9R1.6 C[SiH](C)C1CCCCC1 TS37674 [0,0,0,1,0,0|1,1,1]=4 220 B9R1.23 CCC1N=C(C(S1)C)C TS06882 [0,0,0,1,0,0|3,0,0]=4 221 B9R1.23 CN1CC(CC1=O)CN TS89280 [0,0,0,1,0,0|2,0,0]=3 222 B9R1.23 CN1C[C@@H](OC1=O)CO TS05636 [0,0,0,1,0,0|3,0,0]=4 223 B9R1.35 CC(C)N1CCC(C1)N TS46976 [0,0,0,1,0,0|3,0,0]=4 224 B9R1.35 CC(C)N1CCC(C1)O TS05476 [0,0,0,1,0,0|3,0,0]=4 225 B9R1.40 C1CNCC(C1=O)(F)F TS90994 [0,0,0,1,0,0|3,0,0]=4 226 B9R1.40 CC1(CCCCC1=O)C TS05203 [0,0,0,1,0,0|0,0,0]=1 227 B9R1.40 CC1(CCCCC1=O)Cl TS07287 [0,0,0,1,0,0|1,0,0]=2 228 B9R1.40 CC1(CCCOC1=O)C TS36287 [0,0,0,1,0,0|1,0,0]=2 229 B9R1.40 CC1(CNCCC1=O)C TS90878 [0,0,0,1,0,0|1,0,0]=2 230 B9R1.40 CC1(CNCCC1O)C TS87076 [0,0,0,1,0,0|1,0,2]=4 231 B9R1.40 CC1CCCCC1(C)C TS05231 [0,0,0,1,0,0|1,0,1]=3 232 B9R1.69 CC1CCC(=O)N(C1)C TS36241 [0,0,0,1,0,0|1,0,0]=2 233 B9R1.69 CC1CCC(C(C1)C)C TS05216 [0,0,0,1,0,0|1,0,1]=3 234 B9R1.69 CC1CCC(C(C1)C)O TS05396 [0,0,0,1,0,0|0,0,2]=3 235 B9R1.69 CC1CN(CCC1=O)C TS00372 [0,0,0,1,0,0|1,0,0]=2 236 B9R1.69 CC1CN(CCN1C)C TS36362 [0,0,0,1,0,0|3,0,0]=4 237 B9R1.69 CN1CC(CCC1=O)N TS86285 [0,0,0,1,0,0|2,0,0]=3 238 B9R1.100 CCCCC(C)C1CC1 TS36180 [0,0,0,1,0,0|1,0,1]=3 239 B9R1.100 CCCNC(=O)C1CC1 TS05284 [0,0,0,1,0,0|1,0,0]=2 240 B9R1.110 CN(C)C(=O)C1CNC1 TS87065 [0,0,0,1,0,0|2,0,0]=3 241 B9R0.4 CC(C)CC(=O)OCC=C TS06704 [0,0,0,0,0,1|1,0,2]=4 242 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [0,0,0,0,0,1|1,0,1]=3 243 B9R0.4 CCCCC(=O)CC(C)C TS37639 [0,0,0,0,0,1|0,0,0]=1 244 B9R0.4 CCCCC(CC(C)C)O TS40246 [0,0,0,0,0,1|0,0,2]=3 245 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [0,0,0,0,0,1|2,0,1]=4 246 B9R0.4 CCCOC(=O)CC(C)C TS40218 [0,0,0,0,0,1|1,0,0]=2 247 B6R0.1 C(CN)C(=O)CN TS13627 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.1 C(CO)C(=O)CN TS37313 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.1 CCC(=O)C=CC TS31436 [2,0,0,0,0,0|0,0,2]=4 250 B6R0.1 CCC(=O)CC#N TS31393 [2,0,0,0,0,0|1,0,1]=4 251 B6R0.1 CCC(=O)CSC TS32357 [2,0,0,0,0,0|1,0,0]=3 252 B6R0.1 CCC(=O)NCC TS03904 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.1 CCC(=O)OCC TS03938 [2,0,0,0,0,0|1,0,0]=3 254 B6R0.1 CCC(=O)SCC TS32362 [2,0,0,0,0,0|1,0,0]=3 255 B6R0.1 CCCC(=C)CC TS03794 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.1 CCCC(=CC)C TS31455 [2,0,0,0,0,0|1,0,1]=4 257 B6R0.1 CCCC(=O)CC TS31522 [2,0,0,0,0,0|0,0,0]=2 258 B6R0.1 CCCC(=O)NN TS31598 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.1 CCCC(=O)OC TS03955 [2,0,0,0,0,0|1,0,0]=3 260 B6R0.1 CCCC(=S)OC TS32358 [2,0,0,0,0,0|1,1,0]=4 261 B6R0.1 CCCC(C)CC TS03886 [2,0,0,0,0,0|1,0,1]=4 262 B6R0.1 CCCC(CC)Br TS42856 [2,0,0,0,0,0|1,0,1]=4 263 B6R0.1 CCCC(CC)Cl TS04841 [2,0,0,0,0,0|1,0,1]=4 264 B6R0.1 CCCC(CC)I TS44109 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.1 CCCC(CC)N TS31564 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.1 CCCC(CC)O TS31611 [2,0,0,0,0,0|0,0,2]=4 267 B6R0.1 CCCC(CC)S TS40939 [2,0,0,0,0,0|0,1,1]=4 268 B6R0.1 CCCC(CC)[Zn+] TS24971 [2,0,0,0,0,0|1,0,1]=4 269 B6R0.1 CCNC(=O)CCl TS04876 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.1 CCNC(=O)OC TS31636 [2,0,0,0,0,0|2,0,0]=4 271 B6R0.1 CCOC(=O)CBr TS56141 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.1 CCOC(=O)CCl TS39825 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.1 CCOC(=O)CF TS65215 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.1 CCOC(=O)CN TS31646 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.1 CCOC(=O)CN TS33221 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.1 CCOC(=O)CO TS56147 [2,0,0,0,0,0|2,0,0]=4 277 B6R0.1 CCOC(=O)CS TS01466 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.1 CCOC(=O)NC TS31637 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.1 CCOC(=O)OC TS31662 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.1 CNCC(=O)OC TS01682 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.1 COC(=O)CCBr TS56269 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.1 COC(=O)CCCl TS04939 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.1 COC(=O)CCN TS08577 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.1 COC(=O)CCO TS65233 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.1 COC(=O)CCS TS04824 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.1 COC(=O)CSC TS39398 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.1 COCC(=O)OC TS39892 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.4 C(CC(=O)Cl)CBr TS94813 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.4 C(CC(=O)Cl)CCl TS33157 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.4 C(CC(=O)N)CN TS37256 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.4 C(CC(=O)O)CBr TS39744 [2,0,0,0,0,0|2,0,0]=4 292 B6R0.4 C(CC(=O)O)CI TS44433 [2,0,0,0,0,0|2,0,0]=4 293 B6R0.4 C(CC(=O)O)CN TS31643 [2,0,0,0,0,0|2,0,0]=4 294 B6R0.4 C(CC(=O)[O-])CO TS01692 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.4 CC#CCC(C)C TS31389 [2,0,0,0,0,0|0,0,2]=4 296 B6R0.4 CC(=C)CCCO TS31523 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.4 CC(=CCCO)C TS03867 [2,0,0,0,0,0|1,0,1]=4 298 B6R0.4 CC(=O)CCC=C TS31440 [2,0,0,0,0,0|0,0,2]=4 299 B6R0.4 CC(=O)CCCCl TS03260 [2,0,0,0,0,0|1,0,0]=3 300 B6R0.4 CC(=O)CCCO TS39779 [2,0,0,0,0,0|1,0,0]=3 301 B6R0.4 CC(=O)CCSC TS32359 [2,0,0,0,0,0|1,0,0]=3 302 B6R0.4 CC(=O)NCCN TS31596 [2,0,0,0,0,0|2,0,0]=4 303 B6R0.4 CC(=O)NCCO TS03989 [2,0,0,0,0,0|2,0,0]=4 304 B6R0.4 CC(=O)NCCS TS04795 [2,0,0,0,0,0|2,0,0]=4 305 B6R0.4 CC(=O)OCCBr TS55164 [2,0,0,0,0,0|2,0,0]=4 306 B6R0.4 CC(=O)OCCCl TS04941 [2,0,0,0,0,0|2,0,0]=4 307 B6R0.4 CC(=O)OCCO TS31665 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.4 CC(C)CCC#C TS03732 [2,0,0,0,0,0|0,0,2]=4 309 B6R0.4 CC(C)CCC=C TS03801 [2,0,0,0,0,0|0,0,2]=4 310 B6R0.4 CC(C)CCC=O TS39767 [2,0,0,0,0,0|1,0,1]=4 311 B6R0.4 CC(C)CCCBr TS42858 [2,0,0,0,0,0|1,0,0]=3 312 B6R0.4 CC(C)CCCO TS03963 [2,0,0,0,0,0|1,0,0]=3 313 B6R0.4 CC(C)CCNC TS03922 [2,0,0,0,0,0|1,0,0]=3 314 B6R0.4 CC(C)NCCN TS03977 [2,0,0,0,0,0|2,0,0]=4 315 B6R0.4 CC(C)NCCO TS04007 [2,0,0,0,0,0|2,0,0]=4 316 B6R0.4 CC(C)OCCN TS39675 [2,0,0,0,0,0|2,0,0]=4 317 B6R0.4 CC(C)OCCO TS04040 [2,0,0,0,0,0|2,0,0]=4 318 B6R0.4 CC(C)SCCO TS32430 [2,0,0,0,0,0|2,0,0]=4 319 B6R0.4 CC(CCCBr)Br TS52922 [2,0,0,0,0,0|2,0,0]=4 320 B6R0.4 CC(CCCO)O TS04032 [2,0,0,0,0,0|2,0,0]=4 321 B6R0.4 CC=CCC(C)C TS03790 [2,0,0,0,0,0|0,0,2]=4 322 B6R0.4 CCC#CC(=O)C TS31369 [2,0,0,0,0,0|0,0,2]=4 323 B6R0.4 CCC#CC(C)C TS03722 [2,0,0,0,0,0|0,0,2]=4 324 B6R0.4 CCC=CC(=O)C TS31424 [2,0,0,0,0,0|0,0,2]=4 325 B6R0.4 CCC=CC(C)C TS03789 [2,0,0,0,0,0|0,0,1]=3 326 B6R0.4 CCCCC(=C)C TS31452 [2,0,0,0,0,0|1,0,0]=3 327 B6R0.4 CCCCC(=O)Br TS42846 [2,0,0,0,0,0|1,0,0]=3 328 B6R0.4 CCCCC(=O)C TS31529 [2,0,0,0,0,0|0,0,0]=2 329 B6R0.4 CCCCC(=O)Cl TS32451 [2,0,0,0,0,0|1,0,0]=3 330 B6R0.4 CCCCC(=O)N TS31554 [2,0,0,0,0,0|1,0,0]=3 331 B6R0.4 CCCCC(=O)O TS03958 [2,0,0,0,0,0|1,0,0]=3 332 B6R0.4 CCCCC(=O)[O-] TS04789 [2,0,0,0,0,0|1,0,0]=3 333 B6R0.4 CCCCC(=O)[O-] TS30457 [2,0,0,0,0,0|1,0,0]=3 334 B6R0.4 CCCCC(C)Br TS42855 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.4 CCCCC(C)C TS03881 [2,0,0,0,0,0|0,0,0]=2 336 B6R0.4 CCCCC(C)Cl TS04843 [2,0,0,0,0,0|1,0,0]=3 337 B6R0.4 CCCCC(C)I TS44108 [2,0,0,0,0,0|1,0,0]=3 338 B6R0.4 CCCCC(C)N TS31565 [2,0,0,0,0,0|1,0,0]=3 339 B6R0.4 CCCCC(C)O TS31617 [2,0,0,0,0,0|1,0,0]=3 340 B6R0.4 CCCCN(C)C TS03927 [2,0,0,0,0,0|1,0,0]=3 341 B6R0.4 CCCC[C@@H](C)N TS03923 [2,0,0,0,0,0|1,0,0]=3 342 B6R0.4 CCCC[C@@H](C)O TS03965 [2,0,0,0,0,0|1,0,0]=3 343 B6R0.4 CCCC[C@H](C)N TS03919 [2,0,0,0,0,0|1,0,0]=3 344 B6R0.4 CCCC[C@H](C)O TS31613 [2,0,0,0,0,0|1,0,0]=3 345 B6R0.4 CCCC[N+](=O)[O-] TS31647 [2,0,0,0,0,0|2,0,0]=4 346 B6R0.4 CCCC[Si](C)C TS04645 [2,0,0,0,0,0|0,1,0]=3 347 B6R0.4 CCCC[Sn](=O)O TS43570 [2,0,0,0,0,0|2,0,0]=4 348 B6R0.4 CCCNC(=O)N TS31594 [2,0,0,0,0,0|2,0,0]=4 349 B6R0.4 CCCNC(=O)[O-] TS31634 [2,0,0,0,0,0|2,0,0]=4 350 B6R0.4 CCCNC(C)C TS03926 [2,0,0,0,0,0|1,0,0]=3 351 B6R0.4 CCCOC(=O)C TS03949 [2,0,0,0,0,0|1,0,0]=3 352 B6R0.4 CCCOC(=O)Cl TS55808 [2,0,0,0,0,0|2,0,0]=4 353 B6R0.4 CCCSC(=O)C TS32364 [2,0,0,0,0,0|1,0,0]=3 354 B6R0.4 CCCSC(=O)Cl TS06329 [2,0,0,0,0,0|2,0,0]=4 355 B6R0.4 CCCSC(C)C TS32368 [2,0,0,0,0,0|1,0,0]=3 356 B6R0.4 CCNCC(=C)C TS03829 [2,0,0,0,0,0|2,0,0]=4 357 B6R0.4 CCNCC(=O)O TS01936 [2,0,0,0,0,0|2,0,0]=4 358 B6R0.4 CCOCC(=O)O TS16814 [2,0,0,0,0,0|2,0,0]=4 359 B6R0.4 CCOCC(C)C TS03959 [2,0,0,0,0,0|1,0,0]=3 360 B6R0.4 CCSCC(=O)C TS32360 [2,0,0,0,0,0|1,0,0]=3 361 B6R0.4 CCSCC(=O)O TS04822 [2,0,0,0,0,0|2,0,0]=4 362 B6R0.4 CCSCC(C)C TS04752 [2,0,0,0,0,0|1,0,0]=3 363 B6R0.4 CN(C)CCCN TS39904 [2,0,0,0,0,0|2,0,0]=4 364 B6R0.4 CN(C)CCCO TS03999 [2,0,0,0,0,0|2,0,0]=4 365 B6R0.4 CNCCC(=O)O TS03990 [2,0,0,0,0,0|2,0,0]=4 366 B6R0.4 CNCCN(C)C TS39408 [2,0,0,0,0,0|2,0,0]=4 367 B6R0.4 COCCC(=O)O TS31660 [2,0,0,0,0,0|2,0,0]=4 368 B6R0.6 CC=CCCCO TS31509 [2,0,0,0,0,0|1,0,1]=4 369 B6R0.6 CC=CCCCO TS31521 [2,0,0,0,0,0|1,0,1]=4 370 B6R0.6 CCC=CCCO TS31511 [2,0,0,0,0,0|1,0,1]=4 371 B6R0.6 CCC=CCCO TS31515 [2,0,0,0,0,0|1,0,1]=4 372 B6R0.6 CCCC#CCC TS03730 [2,0,0,0,0,0|0,0,2]=4 373 B6R0.6 CCCC=CCO TS03865 [2,0,0,0,0,0|1,0,1]=4 374 B6R0.6 CCCCC#CC TS03724 [2,0,0,0,0,0|0,0,2]=4 375 B6R0.6 CCCCC=CBr TS11653 [2,0,0,0,0,0|1,0,1]=4 376 B6R0.6 CCCCC=CC TS03803 [2,0,0,0,0,0|0,0,1]=3 377 B6R0.6 CCCCCCBr TS00036 [2,0,0,0,0,0|1,0,1]=4 378 B6R0.6 CCCCCCC TS03885 [2,0,0,0,0,0|0,0,1]=3 379 B6R0.6 CCCCCCCl TS04842 [2,0,0,0,0,0|1,0,1]=4 380 B6R0.6 CCCCCCF TS31676 [2,0,0,0,0,0|1,0,1]=4 381 B6R0.6 CCCCCCI TS93973 [2,0,0,0,0,0|1,0,1]=4 382 B6R0.6 CCCCCCN TS31561 [2,0,0,0,0,0|1,0,1]=4 383 B6R0.6 CCCCCCN TS37145 [2,0,0,0,0,0|1,0,1]=4 384 B6R0.6 CCCCCCO TS39881 [2,0,0,0,0,0|1,0,1]=4 385 B6R0.6 CCCCCCS TS04753 [2,0,0,0,0,0|1,0,1]=4 386 B6R0.6 CCCCCC[SiH3] TS04643 [2,0,0,0,0,0|0,1,1]=4 387 B6R0.6 CCCCCC[Zn+] TS24970 [2,0,0,0,0,0|1,0,1]=4 388 B6R0.6 CCCCCNC TS03916 [2,0,0,0,0,0|1,0,1]=4 389 B6R0.6 CCCCCSC TS04750 [2,0,0,0,0,0|1,0,1]=4 390 B6R0.6 CCCCNCC TS03925 [2,0,0,0,0,0|1,0,0]=3 391 B6R0.6 CCCCOCC TS03964 [2,0,0,0,0,0|1,0,0]=3 392 B6R0.6 CCCCOCCl TS04949 [2,0,0,0,0,0|2,0,0]=4 393 B6R0.6 CCCCSCC TS04749 [2,0,0,0,0,0|1,0,0]=3 394 B6R0.6 CCCNCCC TS39857 [2,0,0,0,0,0|1,0,1]=4 395 B6R0.6 CCCOCCC TS03967 [2,0,0,0,0,0|1,0,1]=4 396 B6R0.6 CCCOCCC TS49356 [2,0,0,0,0,0|1,0,1]=4 397 B6R0.6 CCCSC=CC TS04637 [2,0,0,0,0,0|1,0,1]=4 398 B6R0.6 CCCSCCC TS04756 [2,0,0,0,0,0|1,0,1]=4 399 B6R0.6 CCCSSCC TS37066 [2,0,0,0,0,0|2,0,0]=4 400 B6R0.6 CCC[Hg]CCC TS35002 [2,0,0,0,0,0|1,0,1]=4 401 B6R0.6 CCNCCCN TS03975 [2,0,0,0,0,0|2,0,0]=4 402 B6R0.6 CCNCCNC TS03972 [2,0,0,0,0,0|2,0,0]=4 403 B6R0.6 CCOCCCBr TS12340 [2,0,0,0,0,0|2,0,0]=4 404 B6R0.6 CCOCCCCl TS04950 [2,0,0,0,0,0|2,0,0]=4 405 B6R0.6 CCOCCCN TS04010 [2,0,0,0,0,0|2,0,0]=4 406 B6R0.6 CCOCCCO TS04028 [2,0,0,0,0,0|2,0,0]=4 407 B6R0.6 CCOCCOC TS04027 [2,0,0,0,0,0|2,0,0]=4 408 B6R0.6 CCOCOCC TS74492 [2,0,0,0,0,0|2,0,0]=4 409 B6R0.6 CCSCCCO TS32432 [2,0,0,0,0,0|2,0,0]=4 410 B6R0.6 [Li]CCCCCC TS03654 [2,0,0,0,0,0|1,0,1]=4 411 B6R0.3 CC(C(=O)OC)Br TS12330 [2,0,0,0,0,0|2,0,0]=4 412 B6R0.3 CC(C(=O)OC)Br TS93879 [2,0,0,0,0,0|2,0,0]=4 413 B6R0.3 CC(C(=O)OC)Cl TS04944 [2,0,0,0,0,0|2,0,0]=4 414 B6R0.3 CC(C(=O)OC)N TS55725 [2,0,0,0,0,0|2,0,0]=4 415 B6R0.3 CC(C(=O)OC)O TS31661 [2,0,0,0,0,0|2,0,0]=4 416 B6R0.3 CC(C)C(=N)OC TS37144 [2,0,0,0,0,0|2,0,0]=4 417 B6R0.3 CC(C)C(=O)CBr TS00029 [2,0,0,0,0,0|1,0,0]=3 418 B6R0.3 CC(C)C(=O)NN TS31595 [2,0,0,0,0,0|2,0,0]=4 419 B6R0.3 CC(C)C(=O)NN TS66305 [2,0,0,0,0,0|2,0,0]=4 420 B6R0.3 CC(C)C(=O)NO TS03991 [2,0,0,0,0,0|2,0,0]=4 421 B6R0.3 CC(C)C(=O)OC TS03944 [2,0,0,0,0,0|1,0,0]=3 422 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [2,0,0,0,0,0|1,1,0]=4 423 B6R0.3 CC=C(C)C(C)C TS03807 [2,0,0,0,0,0|1,0,1]=4 424 B6R0.3 CC=C(C)C(C)C TS31450 [2,0,0,0,0,0|1,0,1]=4 425 B6R0.3 CCC(=C)C(C)C TS03792 [2,0,0,0,0,0|1,0,0]=3 426 B6R0.3 CCC(=O)C(=O)C TS03844 [2,0,0,0,0,0|1,0,1]=4 427 B6R0.3 CCC(=O)C(C)C TS31520 [2,0,0,0,0,0|0,0,0]=2 428 B6R0.3 CCC(=O)N(C)C TS31553 [2,0,0,0,0,0|1,0,0]=3 429 B6R0.3 CCC(C(C)C)O TS03969 [2,0,0,0,0,0|0,0,2]=4 430 B6R0.3 CCC(C)C(C)C TS03882 [2,0,0,0,0,0|1,0,1]=4 431 B6R0.3 CN(C)C(=O)CCl TS55283 [2,0,0,0,0,0|2,0,0]=4 432 B6R0.3 CN(C)C(=O)CN TS00812 [2,0,0,0,0,0|2,0,0]=4 433 B6R0.3 CN(C)C(=O)CN TS40036 [2,0,0,0,0,0|2,0,0]=4 434 B6R0.3 CNC(=O)N(C)C TS31600 [2,0,0,0,0,0|2,0,0]=4 435 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [2,0,0,0,0,0|2,0,0]=4 436 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [2,0,0,0,0,0|2,0,0]=4 437 B6R0.3 C[C@H](C(=O)OC)F TS31728 [2,0,0,0,0,0|2,0,0]=4 438 B6R0.3 C[C@H](C(=O)OC)N TS01765 [2,0,0,0,0,0|2,0,0]=4 439 B6R0.3 C[C@H](C(=O)OC)O TS04018 [2,0,0,0,0,0|2,0,0]=4 440 B8R0.1 C(CS)C(=O)OCCO TS40886 [1,1,0,0,0,0|2,0,0]=4 441 B8R0.1 CCC#CC(=O)OCC TS36115 [1,1,0,0,0,0|0,0,2]=4 442 B8R0.1 CCCC(=O)OCCC TS05549 [1,1,0,0,0,0|1,0,0]=3 443 B8R0.1 CCCC(=O)OCSC TS07493 [1,1,0,0,0,0|2,0,0]=4 444 B8R0.1 CCCCC(=O)C=CC TS05182 [1,1,0,0,0,0|0,0,1]=3 445 B8R0.1 CCCCC(=O)CCC TS36329 [1,1,0,0,0,0|0,0,0]=2 446 B8R0.1 CCCCC(=O)OC=C TS05348 [1,1,0,0,0,0|0,0,2]=4 447 B8R0.1 CCCCC(=O)OCC TS36495 [1,1,0,0,0,0|0,0,0]=2 448 B8R0.1 CCCCC(C)CCC TS05416 [1,1,0,0,0,0|1,0,1]=4 449 B8R0.1 CCCCC(C)CCO TS05597 [1,1,0,0,0,0|1,0,1]=4 450 B8R0.1 CCCCC(CCC)Br TS51606 [1,1,0,0,0,0|1,0,1]=4 451 B8R0.1 CCCCC(CCC)Cl TS07522 [1,1,0,0,0,0|1,0,1]=4 452 B8R0.1 CCCCC(CCC)I TS26461 [1,1,0,0,0,0|1,0,1]=4 453 B8R0.1 CCCCC(CCC)O TS36547 [1,1,0,0,0,0|0,0,2]=4 454 B8R0.1 CCCCN(C)CCN TS05610 [1,1,0,0,0,0|2,0,0]=4 455 B8R0.1 CCCC[C@@H](C)CCO TS36538 [1,1,0,0,0,0|1,0,1]=4 456 B8R0.1 CCCOC(=O)C=CC TS05345 [1,1,0,0,0,0|1,0,1]=4 457 B8R0.1 CCCOC(=O)CC#N TS36217 [1,1,0,0,0,0|1,0,1]=4 458 B8R0.1 CCOC(=O)CCC=C TS05344 [1,1,0,0,0,0|0,0,2]=4 459 B8R0.1 CCOC(=O)CCC=O TS94704 [1,1,0,0,0,0|1,0,1]=4 460 B8R0.1 CCOC(=O)CCCBr TS16550 [1,1,0,0,0,0|1,0,0]=3 461 B8R0.1 CCOC(=O)CCCCl TS93676 [1,1,0,0,0,0|1,0,0]=3 462 B8R0.1 CCOC(=O)CCCN TS43285 [1,1,0,0,0,0|1,0,0]=3 463 B8R0.1 CCOC(=O)CCC[Zn+] TS68422 [1,1,0,0,0,0|1,0,0]=3 464 B8R0.1 CCOCC(=O)OCC TS05732 [1,1,0,0,0,0|1,0,0]=3 465 B8R0.3 CC(CCCl)C(=O)OC TS09965 [1,1,0,0,0,0|2,0,0]=4 466 B8R0.3 CC(CCN)C(=O)CO TS36604 [1,1,0,0,0,0|2,0,0]=4 467 B8R0.3 CCCC(C(=O)OC)Br TS93475 [1,1,0,0,0,0|1,0,0]=3 468 B8R0.3 CCCC(C(C)CC)O TS36557 [1,1,0,0,0,0|1,0,1]=4 469 B8R0.3 CCCC(C)C(=O)OC TS05547 [1,1,0,0,0,0|1,0,0]=3 470 B8R0.3 CCCC(C)C(C)CC TS05420 [1,1,0,0,0,0|1,0,1]=4 471 B8R0.3 CCCC(C)C(CC)O TS36549 [1,1,0,0,0,0|0,0,2]=4 472 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [1,1,0,0,0,0|1,0,0]=3 473 B8R0.3 COC(=O)C(CCBr)Br TS68328 [1,1,0,0,0,0|2,0,0]=4 474 B8R0.3 COCC(C(=O)OC)Br TS53797 [1,1,0,0,0,0|2,0,0]=4 475 B8R0.6 CCC(C)CCCCO TS36535 [1,1,0,0,0,0|1,0,1]=4 476 B8R0.6 CCCC#CC(=O)OC TS05154 [1,1,0,0,0,0|1,0,1]=4 477 B8R0.6 CCCC=CC(=O)OC TS36302 [1,1,0,0,0,0|1,0,1]=4 478 B8R0.6 CCCCCC(=O)C=C TS05201 [1,1,0,0,0,0|0,0,2]=4 479 B8R0.6 CCCCCC(=O)CC TS36343 [1,1,0,0,0,0|0,0,0]=2 480 B8R0.6 CCCCCC(=O)NO TS05662 [1,1,0,0,0,0|2,0,0]=4 481 B8R0.6 CCCCCC(=O)OC TS36499 [1,1,0,0,0,0|1,0,0]=3 482 B8R0.6 CCCCCC(C)CC TS05415 [1,1,0,0,0,0|1,0,1]=4 483 B8R0.6 CCCCCC(CC)Br TS51604 [1,1,0,0,0,0|1,0,1]=4 484 B8R0.6 CCCCCC(CC)Cl TS07523 [1,1,0,0,0,0|1,0,1]=4 485 B8R0.6 CCCCCC(CC)O TS36536 [1,1,0,0,0,0|0,0,2]=4 486 B8R0.6 CCCCNC(=O)C=C TS05274 [1,1,0,0,0,0|0,0,2]=4 487 B8R0.6 CCCCNC(=O)CC TS36435 [1,1,0,0,0,0|0,0,0]=2 488 B8R0.6 CCCCNC(=O)CCl TS40802 [1,1,0,0,0,0|1,0,0]=3 489 B8R0.6 CCCCNC(=O)OC TS36586 [1,1,0,0,0,0|1,0,0]=3 490 B8R0.6 CCCCOC(=O)C#C TS05149 [1,1,0,0,0,0|0,0,2]=4 491 B8R0.6 CCCCOC(=O)C=C TS36291 [1,1,0,0,0,0|0,0,2]=4 492 B8R0.6 CCCCOC(=O)C=O TS36470 [1,1,0,0,0,0|1,0,1]=4 493 B8R0.6 CCCCOC(=O)CC TS05554 [1,1,0,0,0,0|0,0,0]=2 494 B8R0.6 CCCCOC(=O)CCl TS09968 [1,1,0,0,0,0|1,0,0]=3 495 B8R0.6 CCCCOC(=O)CF TS05889 [1,1,0,0,0,0|1,0,0]=3 496 B8R0.6 CCCCOC(=O)CN TS12446 [1,1,0,0,0,0|1,0,0]=3 497 B8R0.6 CCCCOC(=O)CO TS05729 [1,1,0,0,0,0|1,0,0]=3 498 B8R0.6 CCCCOC(=O)CS TS07490 [1,1,0,0,0,0|1,0,0]=3 499 B8R0.6 CCSCCC(=O)OC TS07487 [1,1,0,0,0,0|1,0,0]=3 500 B8R0.6 CC[C@H](C)CCCCO TS05594 [1,1,0,0,0,0|1,0,1]=4 501 B8R0.6 COC(=O)CCCC#C TS36125 [1,1,0,0,0,0|1,0,1]=4 502 B8R0.6 COC(=O)CCCC=C TS36304 [1,1,0,0,0,0|1,0,1]=4 503 B8R0.6 COC(=O)CCCC=O TS85464 [1,1,0,0,0,0|1,0,1]=4 504 B8R0.6 COC(=O)CCCCBr TS51950 [1,1,0,0,0,0|1,0,0]=3 505 B8R0.6 COC(=O)CCCCCl TS09970 [1,1,0,0,0,0|1,0,0]=3 506 B8R0.6 COCCOC(=O)CCl TS10245 [1,1,0,0,0,0|2,0,0]=4 507 B8R0.9 CC(=O)CCC(=O)OC TS05537 [1,1,0,0,0,0|1,0,1]=4 508 B8R0.9 CC(C)CCC(=O)OC TS36500 [1,1,0,0,0,0|1,0,0]=3 509 B8R0.9 CCC(=O)CCC(C)C TS05386 [1,1,0,0,0,0|0,0,0]=2 510 B8R0.9 CCC(=O)OCC(C)C TS05543 [1,1,0,0,0,0|1,0,0]=3 511 B8R0.9 CCC(C)CCC(C)C TS05428 [1,1,0,0,0,0|1,0,1]=4 512 B8R0.9 CCC(C)CCC(C)O TS36529 [1,1,0,0,0,0|1,0,1]=4 513 B8R0.9 CCC(CCC(C)C)O TS05596 [1,1,0,0,0,0|0,0,2]=4 514 B8R0.9 CN(C)CCC(=O)OC TS36601 [1,1,0,0,0,0|2,0,0]=4 515 B8R0.11 CCCC=C(CC)C=O TS05180 [1,1,0,0,0,0|0,0,1]=3 516 B8R0.11 CCCCC(CC)C#N TS05110 [1,1,0,0,0,0|1,0,1]=4 517 B8R0.11 CCCCC(CC)C=O TS36324 [1,1,0,0,0,0|0,0,1]=3 518 B8R0.11 CCCCC(CC)CBr TS51605 [1,1,0,0,0,0|1,0,1]=4 519 B8R0.11 CCCCC(CC)CBr TS93468 [1,1,0,0,0,0|1,0,1]=4 520 B8R0.11 CCCCC(CC)CC TS05421 [1,1,0,0,0,0|1,0,1]=4 521 B8R0.11 CCCCC(CC)CCl TS07519 [1,1,0,0,0,0|1,0,1]=4 522 B8R0.11 CCCCC(CC)CI TS26462 [1,1,0,0,0,0|1,0,1]=4 523 B8R0.11 CCCCC(CC)CN TS05498 [1,1,0,0,0,0|1,0,1]=4 524 B8R0.11 CCCCC(CC)CN TS12119 [1,1,0,0,0,0|1,0,1]=4 525 B8R0.11 CCCCC(CC)CN TS43752 [1,1,0,0,0,0|1,0,1]=4 526 B8R0.11 CCCCC(CC)CO TS36533 [1,1,0,0,0,0|0,0,2]=4 527 B8R0.11 CCCCC(CC)CS TS40474 [1,1,0,0,0,0|0,1,1]=4 528 B8R0.11 CCCCC(CC)C[O-] TS06071 [1,1,0,0,0,0|0,0,2]=4 529 B8R0.11 CCCCN(CC)CC TS05492 [1,1,0,0,0,0|2,0,0]=4 530 B8R0.11 CCCCN(CC)N=O TS05572 [1,1,0,0,0,0|1,0,0]=3 531 B8R0.11 [Li]CC(CC)CCCC TS04820 [1,1,0,0,0,0|1,0,1]=4 532 B8R0.19 CCC(=O)CC(=O)CC TS36297 [1,1,0,0,0,0|0,0,1]=3 533 B8R0.19 CCC(=O)CC(=O)OC TS02305 [1,1,0,0,0,0|1,0,1]=4 534 B8R0.19 CCC(=O)OC(=O)CC TS39924 [1,1,0,0,0,0|1,0,1]=4 535 B8R0.19 CCC(C)C=C(C)CC TS36183 [1,1,0,0,0,0|1,0,1]=4 536 B8R0.19 CCC(C)CC(=O)CC TS36340 [1,1,0,0,0,0|0,0,0]=2 537 B8R0.19 CCC(C)CC(=O)OC TS36498 [1,1,0,0,0,0|1,0,0]=3 538 B8R0.19 CCC(C)CC(C)CC TS05414 [1,1,0,0,0,0|1,0,1]=4 539 B8R0.19 CCC(C)CC(CC)O TS36539 [1,1,0,0,0,0|0,0,2]=4 540 B8R0.19 CCC(C)NC(=O)CCl TS40798 [1,1,0,0,0,0|2,0,0]=4 541 B8R0.19 CC[C@@H](CC(=O)OC)O TS64924 [1,1,0,0,0,0|1,0,0]=3 542 B8R0.19 CC[C@H](CC(=O)OC)O TS05724 [1,1,0,0,0,0|1,0,0]=3 543 B8R0.19 COC(=O)CC(CCl)O TS22838 [1,1,0,0,0,0|2,0,0]=4 544 B8R0.19 COC(=O)C[C@@H](CCl)O TS10244 [1,1,0,0,0,0|2,0,0]=4 545 B8R0.19 COC(=O)C[C@@H](CO)O TS05870 [1,1,0,0,0,0|2,0,0]=4 546 B8R0.19 COC(=O)C[C@H](CCl)O TS10243 [1,1,0,0,0,0|2,0,0]=4 547 B8R0.25 CCCCC(C)(C)CC TS36368 [1,1,0,0,0,0|1,0,1]=4 548 B8R0.25 CCCCC(C)(CC)O TS36532 [1,1,0,0,0,0|0,0,2]=4 549 B8R0.5 CCCC(=O)CC(C)C TS05373 [1,1,0,0,0,0|0,0,2]=4 550 B8R0.5 CCCC(=O)OC(C)C TS05550 [1,1,0,0,0,0|1,0,1]=4 551 B8R0.5 CCCC(C)CC(C)C TS05407 [1,1,0,0,0,0|0,0,1]=3 552 B8R0.5 CCCC(C)CC(C)O TS05587 [1,1,0,0,0,0|1,0,1]=4 553 B8R0.5 CCCC(CC(C)C)O TS36545 [1,1,0,0,0,0|0,0,1]=3 554 B8R0.7 CC(C)CCCCCBr TS51602 [1,1,0,0,0,0|0,0,1]=3 555 B8R0.7 CC(C)CCCCCN TS05491 [1,1,0,0,0,0|0,0,1]=3 556 B8R0.7 CC(C)COCCCN TS36620 [1,1,0,0,0,0|1,0,1]=4 557 B8R0.7 CC(C)NCCCCO TS93789 [1,1,0,0,0,0|1,0,0]=3 558 B8R0.7 CC(C)OCCC[N+]#[C-] TS05282 [1,1,0,0,0,0|1,0,1]=4 559 B8R0.7 CCC#CCCC(C)C TS05053 [1,1,0,0,0,0|0,0,2]=4 560 B8R0.7 CCCCC=CC(=O)C TS05179 [1,1,0,0,0,0|1,0,1]=4 561 B8R0.7 CCCCC=CC(C)O TS05371 [1,1,0,0,0,0|1,0,0]=3 562 B8R0.7 CCCCCCC(C)Br TS51603 [1,1,0,0,0,0|1,0,1]=4 563 B8R0.7 CCCCCCC(C)C TS05423 [1,1,0,0,0,0|0,0,1]=3 564 B8R0.7 CCCCCCC(C)Cl TS07520 [1,1,0,0,0,0|1,0,1]=4 565 B8R0.7 CCCCCCC(C)I TS26460 [1,1,0,0,0,0|1,0,1]=4 566 B8R0.7 CCCCCCC(C)N TS05493 [1,1,0,0,0,0|1,0,1]=4 567 B8R0.7 CCCCCCC(C)O TS05590 [1,1,0,0,0,0|1,0,1]=4 568 B8R0.7 CCCCCCC(C)S TS40477 [1,1,0,0,0,0|1,0,1]=4 569 B8R0.7 CCCCCC[C@@H](C)N TS05497 [1,1,0,0,0,0|1,0,1]=4 570 B8R0.7 CCCCCC[C@@H](C)O TS05598 [1,1,0,0,0,0|1,0,1]=4 571 B8R0.7 CCCCCC[C@H](C)N TS05488 [1,1,0,0,0,0|1,0,1]=4 572 B8R0.7 CCCCCC[C@H](C)O TS46634 [1,1,0,0,0,0|1,0,1]=4 573 B8R0.7 CCCCOCC(C)O TS05758 [1,1,0,0,0,0|1,0,1]=4 574 B8R0.21 CC(C)(C)CCCCO TS36552 [1,1,0,0,0,0|1,0,1]=4 575 B8R0.21 CC(C)(C)NCCNC TS05604 [1,1,0,0,0,0|2,0,0]=4 576 B8R0.21 CC(C)(C)OCCCN TS36617 [1,1,0,0,0,0|2,0,0]=4 577 B8R0.21 CC(C)(C)OCCCN TS43289 [1,1,0,0,0,0|2,0,0]=4 578 B8R0.21 CCCC=CC(C)(C)C TS05223 [1,1,0,0,0,0|0,0,1]=3 579 B8R0.21 CCCCCC(C)(C)C TS05417 [1,1,0,0,0,0|0,0,1]=3 580 B8R0.21 CCCCCC(C)(C)O TS05593 [1,1,0,0,0,0|0,0,1]=3 581 B8R0.21 CCCCC[Si](C)(C)Cl TS11972 [1,1,0,0,0,0|0,1,1]=4 582 B8R0.28 CC(=CCCC(=O)C)C TS36151 [1,1,0,0,0,0|0,0,2]=4 583 B8R0.28 CC(C)CCCC(=C)C TS05218 [1,1,0,0,0,0|0,0,2]=4 584 B8R0.28 CC(C)CCCC(C)C TS05409 [1,1,0,0,0,0|0,0,1]=3 585 B8R0.28 CC(C)CCCC(C)N TS05490 [1,1,0,0,0,0|0,0,1]=3 586 B8R0.28 CC(C)CCCC(C)O TS36534 [1,1,0,0,0,0|0,0,1]=3 587 B8R0.28 CC(C)CNCC(C)C TS05496 [1,1,0,0,0,0|1,0,1]=4 588 B8R0.28 CC(C)CNCC(C)C TS12121 [1,1,0,0,0,0|1,0,1]=4 589 B8R0.28 CC(C)COCC(C)C TS05584 [1,1,0,0,0,0|1,0,1]=4 590 B8R0.28 CC(C)CSCC(C)C TS40482 [1,1,0,0,0,0|1,0,1]=4 591 B8R0.28 CC(C)C[Al+]CC(C)C TS08720 [1,1,0,0,0,0|1,0,1]=4 592 B8R0.28 CC(C)C[Al+]CC(C)C TS11262 [1,1,0,0,0,0|1,0,1]=4 593 B8R0.28 CC(C)C[Al+]CC(C)C TS46202 [1,1,0,0,0,0|1,0,1]=4 594 B8R0.28 CC(C)OCCC(=O)C TS05569 [1,1,0,0,0,0|1,0,1]=4 595 B8R0.28 C[C@@H](CCCC(C)C)N TS04561 [1,1,0,0,0,0|0,0,1]=3 596 B8R0.2 CCC(C)C(=O)C(C)C TS05377 [1,1,0,0,0,0|0,0,0]=2 597 B8R0.2 CCC(C)C(C(C)C)O TS36537 [1,1,0,0,0,0|0,0,2]=4 598 B8R0.2 CCC(C)C(C)C(C)C TS36367 [1,1,0,0,0,0|1,0,1]=4 599 B8R0.12 CCCC(C)(C(C)C)O TS36554 [1,1,0,0,0,0|0,0,2]=4 600 B8R0.12 CCCC(C)(C)C(C)C TS05412 [1,1,0,0,0,0|1,0,1]=4 601 B8R0.14 CC(C)(C)C(=O)CC#N TS36062 [1,1,0,0,0,0|1,0,1]=4 602 B8R0.14 CC(C)(C)C(=O)CC=O TS36293 [1,1,0,0,0,0|1,0,1]=4 603 B8R0.14 CC(C)(C)C(=O)OCCl TS39622 [1,1,0,0,0,0|2,0,0]=4 604 B8R0.14 CC(C)(C)C(=O)OCI TS26785 [1,1,0,0,0,0|2,0,0]=4 605 B8R0.14 CCCC(=O)C(C)(C)C TS05378 [1,1,0,0,0,0|0,0,0]=2 606 B8R0.14 CCCC(C(C)(C)C)O TS36556 [1,1,0,0,0,0|0,0,2]=4 607 B8R0.14 CCCC(C)C(C)(C)C TS05425 [1,1,0,0,0,0|1,0,1]=4 608 B8R0.14 CCCC(C)C(C)(C)O TS36543 [1,1,0,0,0,0|1,0,1]=4 609 B8R0.14 CCOC(=O)C(C)(C)Br TS55167 [1,1,0,0,0,0|1,0,0]=3 610 B8R0.14 CCOC(=O)C(C)(C)C TS36504 [1,1,0,0,0,0|1,0,0]=3 611 B8R0.14 CCOC(=O)C(C)(C)N TS43281 [1,1,0,0,0,0|1,0,0]=3 612 B8R0.14 CCOC(=O)C(C)(C)O TS36659 [1,1,0,0,0,0|1,0,0]=3 613 B8R0.14 CCOC(=O)C(C)(F)F TS06224 [1,1,0,0,0,0|2,0,0]=4 614 B8R0.23 CC(=O)CC(=O)N(C)C TS36402 [1,1,0,0,0,0|1,0,1]=4 615 B8R0.23 CC(C)C(=O)OC(C)C TS05557 [1,1,0,0,0,0|1,0,0]=3 616 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [1,1,0,0,0,0|1,0,1]=4 617 B8R0.23 CC(C)CC(=O)C(C)C TS36332 [1,1,0,0,0,0|0,0,0]=2 618 B8R0.23 CC(C)CC(C)C(C)C TS36369 [1,1,0,0,0,0|1,0,1]=4 619 B8R0.23 CC(C)OC(=O)C(C)O TS05725 [1,1,0,0,0,0|2,0,0]=4 620 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS12447 [1,1,0,0,0,0|2,0,0]=4 621 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS93955 [1,1,0,0,0,0|2,0,0]=4 622 B10R0.6 CCCCCC(=O)CC(=O)C TS10719 [0,1,0,0,0,1|1,0,1]=4 623 B10R0.6 CCCCCC(=O)CC(C)C TS10751 [0,1,0,0,0,1|0,0,0]=2 624 B10R0.6 CCCCCC(=O)OC(C)C TS11030 [0,1,0,0,0,1|0,0,0]=2 625 B10R0.6 CCCCCC(CC(C)C)O TS41977 [0,1,0,0,0,1|0,0,2]=4 626 B10R0.6 CCCCOC(=O)CC(=O)C TS41890 [0,1,0,0,0,1|1,0,1]=4 627 B10R0.6 CCCCOC(=O)CC(C)C TS41947 [0,1,0,0,0,1|0,0,0]=2 628 B10R0.18 CCCCC(=O)CC(=O)OC TS41895 [0,1,0,0,0,1|1,0,1]=4 629 B10R0.28 CC(C)(C)OC(=O)CCCBr TS50263 [0,1,0,0,0,1|1,0,0]=3 630 B10R0.28 CC(C)(C)OC(=O)CCCN TS53583 [0,1,0,0,0,1|1,0,0]=3 631 B10R0.28 CC(C)(C)OC(=O)CCCO TS42177 [0,1,0,0,0,1|1,0,0]=3 632 B10R0.28 CC(C)(C)OC(=O)NCCBr TS00530 [0,1,0,0,0,1|2,0,0]=4 633 B10R0.28 CC(C)(C)OC(=O)NCCN TS53776 [0,1,0,0,0,1|2,0,0]=4 634 B10R0.28 CC(C)(C)OC(=O)NCCN TS56385 [0,1,0,0,0,1|2,0,0]=4 635 B10R0.28 CC(C)(C)OC(=O)NCCO TS01697 [0,1,0,0,0,1|2,0,0]=4 636 B10R0.44 CC(C)CC(=O)CC(=O)OC TS41899 [0,1,0,0,0,1|1,0,1]=4 637 B10R0.96 CC(C)CC(=O)OCC(C)C TS11026 [0,1,0,0,0,1|1,0,0]=3 638 B10R0.96 CC(C)CCC(CC(C)C)O TS11060 [0,1,0,0,0,1|0,0,2]=4 639 B10R0.96 CC(C)OC(=O)CCC(=O)O TS11228 [0,1,0,0,0,1|1,0,1]=4 640 B10R0.5 CCCCCC(=O)C(C)(C)C TS10755 [0,2,0,0,0,0|0,0,0]=2 641 B10R0.5 CCCCCC(C(C)(C)C)O TS41979 [0,2,0,0,0,0|0,0,2]=4 642 B10R0.5 CCCCOC(=O)C(F)(F)F TS12763 [0,2,0,0,0,0|2,0,0]=4 643 B10R0.5 COCCCC(=O)C(F)(F)F TS12764 [0,2,0,0,0,0|2,0,0]=4 644 B10R0.52 CC(C)(C)C(=O)CC(=O)OC TS10986 [0,2,0,0,0,0|1,0,1]=4 645 B10R0.35 CCCC(C)C(=O)C(C)CC TS10759 [0,2,0,0,0,0|0,0,0]=2 646 B10R0.35 CCCC(C)C(C(C)CC)O TS41971 [0,2,0,0,0,0|0,0,2]=4 647 B10R0.57 CC=C(C)C(=O)OCC(C)C TS41633 [0,2,0,0,0,0|1,0,1]=4 648 B10R0.57 CC=C(C)C(=O)OCC(C)C TS41653 [0,2,0,0,0,0|1,0,1]=4 649 B10R0.57 CCC(C)C(=O)OCC(C)C TS11020 [0,2,0,0,0,0|1,0,0]=3 650 B10R0.82 CCC(C)COC(=O)C(=C)C TS41651 [0,2,0,0,0,0|0,0,2]=4 651 B10R0.84 CC(C)CC=C(C=O)C(C)C TS10490 [0,2,0,0,0,0|0,0,1]=3 652 B10R0.84 CC(C)CCC(CO)C(C)C TS11053 [0,2,0,0,0,0|0,0,2]=4 653 B10R0.93 CC(C)C(=O)CC(=O)C(C)C TS08801 [0,2,0,0,0,0|0,0,1]=3 654 B10R0.93 CC(C)C(=O)OC(=O)C(C)C TS10983 [0,2,0,0,0,0|1,0,1]=4 655 B10R0.19 CCCCC(=O)C(=O)OCC TS55416 [0,2,0,0,0,0|1,0,1]=4 656 B10R0.19 CCCCC(=O)C(C)CCC TS10768 [0,2,0,0,0,0|0,0,0]=2 657 B10R0.19 CCCCC(C(C)CCC)O TS41968 [0,2,0,0,0,0|0,0,2]=4 658 B10R0.21 CCCCC(=O)C(CC)CC TS10767 [0,2,0,0,0,0|0,0,0]=2 659 B10R0.21 CCCCC(C(CC)CC)O TS11055 [0,2,0,0,0,0|0,0,2]=4 660 B10R0.21 CCCOC(=O)C(CC)CC TS41946 [0,2,0,0,0,0|1,0,0]=3 661 B10R0.83 CCCCCC(=O)C(C)CC TS10757 [0,2,0,0,0,0|0,0,0]=2 662 B10R0.83 CCCCCC(C(C)CC)O TS41980 [0,2,0,0,0,0|0,0,2]=4 663 B10R0.83 CCCCOC(=O)C(=CC)C TS10715 [0,2,0,0,0,0|0,0,1]=3 664 B10R0.83 CCCCOC(=O)C(C)CC TS11025 [0,2,0,0,0,0|0,0,0]=2 665 B10R0.83 CCCCOC(=O)C(CC)Br TS50271 [0,2,0,0,0,0|1,0,0]=3 666 B10R0.26 CCOC(=O)CC(=O)C(C)Br TS50259 [0,2,0,0,0,0|1,0,1]=4 667 B10R0.26 CCOC(=O)CC(=O)C(C)C TS01457 [0,2,0,0,0,0|0,0,1]=3 668 B10R0.72 CCC(C=C)OC(=O)C(C)C TS10727 [0,2,0,0,0,0|1,0,0]=3 669 B10R0.42 CCCCCC(C)(C(C)C)O TS11056 [0,2,0,0,0,0|0,0,2]=4 670 B10R0.75 CCCCCCC(=O)C(C)C TS10772 [0,2,0,0,0,0|0,0,0]=2 671 B10R0.75 CCCCCCC(=O)N(C)C TS10894 [0,2,0,0,0,0|1,0,0]=3 672 B10R0.75 CCCCCCC(C(C)C)O TS41973 [0,2,0,0,0,0|0,0,2]=4 673 B10R0.75 CCCCCOC(=O)C(C)C TS11028 [0,2,0,0,0,0|0,0,0]=2 674 B10R0.75 CCCCCOC(=O)C(C)O TS11274 [0,2,0,0,0,0|1,0,0]=3 675 B10R0.75 CCOCCOC(=O)C(=C)C TS41902 [0,2,0,0,0,0|0,0,2]=4 676 B10R0.75 CCOCCOC(=O)C(C)C TS11276 [0,2,0,0,0,0|0,0,0]=2 677 B10R0.75 CCSCCOC(=O)C(=C)C TS45827 [0,2,0,0,0,0|0,0,2]=4 678 B10R0.98 CC(C)C(=O)OCC=C(C)C TS41657 [0,2,0,0,0,0|0,0,2]=4 679 B10R0.98 CC(C)CCOC(=O)C(=C)C TS41645 [0,2,0,0,0,0|0,0,2]=4 680 B10R0.98 CC(C)CCOC(=O)C(=O)C TS41906 [0,2,0,0,0,0|1,0,1]=4 681 B10R0.98 CC(C)CCOC(=O)C(C)C TS41945 [0,2,0,0,0,0|0,0,0]=2 682 B10R0.98 CC(C)CCOC(=O)C(C)O TS11281 [0,2,0,0,0,0|1,0,0]=3 683 B8R1.1 C1C(CNC1=O)CN TS85675 [1,0,0,1,0,0|2,0,0]=4 684 B8R1.1 C1C(CNC1=O)CO TS89668 [1,0,0,1,0,0|2,0,0]=4 685 B8R1.1 C1CC(=O)NC1CN TS32080 [1,0,0,1,0,0|2,0,0]=4 686 B8R1.1 C1CC(=O)N[C@@H]1CBr TS46367 [1,0,0,1,0,0|2,0,0]=4 687 B8R1.1 C1CC(=O)N[C@@H]1CN TS32077 [1,0,0,1,0,0|2,0,0]=4 688 B8R1.1 C1CC(=O)N[C@@H]1CO TS00316 [1,0,0,1,0,0|2,0,0]=4 689 B8R1.1 C1CC(=O)N[C@H]1CBr TS46368 [1,0,0,1,0,0|2,0,0]=4 690 B8R1.1 C1CC(=O)N[C@H]1CN TS32073 [1,0,0,1,0,0|2,0,0]=4 691 B8R1.1 C1CC(=O)O[C@@H]1CO TS00317 [1,0,0,1,0,0|2,0,0]=4 692 B8R1.1 C1CC(=O)O[C@H]1CO TS39983 [1,0,0,1,0,0|2,0,0]=4 693 B8R1.1 C1[C@@H](CNC1=O)CN TS92937 [1,0,0,1,0,0|2,0,0]=4 694 B8R1.1 C1[C@H](CNC1=O)CN TS92288 [1,0,0,1,0,0|2,0,0]=4 695 B8R1.1 CCC1=NC(CN1)C TS04327 [1,0,0,1,0,0|2,0,0]=4 696 B8R1.1 CCC1CCC(=O)C1 TS31941 [1,0,0,1,0,0|0,0,0]=2 697 B8R1.1 CCC1CCC(=O)O1 TS04438 [1,0,0,1,0,0|1,0,0]=3 698 B8R1.2 C1CCC(=CC1)CBr TS90142 [1,0,0,1,0,0|2,0,0]=4 699 B8R1.2 CCC1=CCCCC1 TS31842 [1,0,0,1,0,0|1,0,0]=3 700 B8R1.2 CCC1CCCCC1 TS04342 [1,0,0,1,0,0|1,0,1]=4 701 B8R1.2 CCC1CCCCN1 TS04398 [1,0,0,1,0,0|1,0,1]=4 702 B8R1.2 CCN1CCCCC1 TS00439 [1,0,0,1,0,0|2,0,0]=4 703 B8R1.2 CCN1CCCCC1 TS32031 [1,0,0,1,0,0|2,0,0]=4 704 B8R1.2 COC1=CCCCC1 TS04308 [1,0,0,1,0,0|2,0,0]=4 705 B8R1.2 COC1=NCCCC1 TS04387 [1,0,0,1,0,0|2,0,0]=4 706 B8R1.3 C1CC(=O)CCC1=O TS39842 [1,0,0,1,0,0|1,0,1]=4 707 B8R1.3 C1CC(=O)CCC1O TS94873 [1,0,0,1,0,0|1,0,0]=3 708 B8R1.3 C1CC(=O)NCC1N TS88548 [1,0,0,1,0,0|2,0,0]=4 709 B8R1.3 CC1CCC(=O)CC1 TS39765 [1,0,0,1,0,0|0,0,0]=2 710 B8R1.3 CC1CCC(CC1)Br TS46222 [1,0,0,1,0,0|1,0,1]=4 711 B8R1.3 CC1CCC(CC1)Cl TS36737 [1,0,0,1,0,0|1,0,1]=4 712 B8R1.3 CC1CCC(CC1)O TS32101 [1,0,0,1,0,0|0,0,2]=4 713 B8R1.3 CC1CCN(CC1)N TS04493 [1,0,0,1,0,0|2,0,0]=4 714 B8R1.3 CN1CCC(=O)CC1 TS00486 [1,0,0,1,0,0|1,0,0]=3 715 B8R1.3 C[C@H]1CC[C@@H](CC1)C TS31961 [1,0,0,1,0,0|1,0,1]=4 716 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS40806 [1,0,0,1,0,0|1,0,1]=4 717 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS94786 [1,0,0,1,0,0|1,0,1]=4 718 B8R1.3 C[C@H]1CC[C@@H](CC1)O TS32104 [1,0,0,1,0,0|0,0,2]=4 719 B8R1.3 C[C@H]1CC[C@H](CC1)C TS04337 [1,0,0,1,0,0|1,0,1]=4 720 B8R1.3 C[C@H]1CC[C@H](CC1)N TS40803 [1,0,0,1,0,0|1,0,1]=4 721 B8R1.3 C[C@H]1CC[C@H](CC1)O TS32107 [1,0,0,1,0,0|0,0,2]=4 722 B8R1.5 C1CC(C(=O)NC1)N TS39701 [1,0,0,1,0,0|2,0,0]=4 723 B8R1.5 C1CC(C(=O)NC1)O TS02789 [1,0,0,1,0,0|2,0,0]=4 724 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [1,0,0,1,0,0|1,0,1]=4 725 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [1,0,0,1,0,0|1,0,0]=3 726 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [1,0,0,1,0,0|1,0,0]=3 727 B8R1.5 C1CCC(=O)C(C1)O TS32072 [1,0,0,1,0,0|1,0,0]=3 728 B8R1.5 C1CCN(C(=O)C1)N TS32084 [1,0,0,1,0,0|2,0,0]=4 729 B8R1.5 C1CNCC(C1=O)Br TS60337 [1,0,0,1,0,0|2,0,0]=4 730 B8R1.5 C1CNCC(C1=O)F TS88150 [1,0,0,1,0,0|2,0,0]=4 731 B8R1.5 C1COCC(C1=O)Br TS87523 [1,0,0,1,0,0|2,0,0]=4 732 B8R1.5 C1COCC(C1=O)F TS90072 [1,0,0,1,0,0|2,0,0]=4 733 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [1,0,0,1,0,0|2,0,0]=4 734 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [1,0,0,1,0,0|2,0,0]=4 735 B8R1.5 CC1=C(CCCC1)C TS31858 [1,0,0,1,0,0|1,0,1]=4 736 B8R1.5 CC1=CCCCC1=O TS31839 [1,0,0,1,0,0|0,0,2]=4 737 B8R1.5 CC1CCCC=C1C TS31849 [1,0,0,1,0,0|1,0,1]=4 738 B8R1.5 CC1CCCCC1=C TS31851 [1,0,0,1,0,0|1,0,0]=3 739 B8R1.5 CC1CCCCC1=O TS01136 [1,0,0,1,0,0|0,0,0]=2 740 B8R1.5 CC1CCCCC1C TS31973 [1,0,0,1,0,0|1,0,1]=4 741 B8R1.5 CC1CCCCC1N TS32030 [1,0,0,1,0,0|1,0,1]=4 742 B8R1.5 CC1CCCCC1O TS32109 [1,0,0,1,0,0|0,0,2]=4 743 B8R1.5 CC1CCNCC1=O TS92225 [1,0,0,1,0,0|1,0,0]=3 744 B8R1.5 CC1CNCCC1=O TS02832 [1,0,0,1,0,0|1,0,0]=3 745 B8R1.5 CC1CNCCC1=O TS70671 [1,0,0,1,0,0|1,0,0]=3 746 B8R1.5 CC1COCCC1=O TS89718 [1,0,0,1,0,0|1,0,0]=3 747 B8R1.5 CN1CCCCC1=O TS04393 [1,0,0,1,0,0|1,0,0]=3 748 B8R1.5 CN1CCNCC1=O TS89214 [1,0,0,1,0,0|2,0,0]=4 749 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [1,0,0,1,0,0|1,0,1]=4 750 B8R1.5 C[C@@H]1CCCC[C@H]1N TS04400 [1,0,0,1,0,0|1,0,1]=4 751 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [1,0,0,1,0,0|0,0,2]=4 752 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [1,0,0,1,0,0|0,0,2]=4 753 B8R1.22 C1CC(=O)CCC=C1 TS04197 [1,0,0,1,0,0|0,0,2]=4 754 B8R1.22 C1CC(=O)CCNC1 TS89498 [1,0,0,1,0,0|1,0,0]=3 755 B8R1.22 C1CCC(=O)C=CC1 TS01401 [1,0,0,1,0,0|0,0,2]=4 756 B8R1.22 C1CCC(=O)NCC1 TS04386 [1,0,0,1,0,0|1,0,0]=3 757 B8R1.22 C1CCC(=O)NCC1 TS49157 [1,0,0,1,0,0|1,0,0]=3 758 B8R1.22 C1CCC(=O)OCC1 TS59735 [1,0,0,1,0,0|1,0,0]=3 759 B8R1.22 C1CCC(=S)NCC1 TS05487 [1,0,0,1,0,0|1,1,0]=4 760 B8R1.22 C1CCCC(=O)CC1 TS31926 [1,0,0,1,0,0|0,0,0]=2 761 B8R1.22 C1CCCC(CC1)Br TS46223 [1,0,0,1,0,0|1,0,1]=4 762 B8R1.22 C1CCCC(CC1)Cl TS36739 [1,0,0,1,0,0|1,0,1]=4 763 B8R1.22 C1CCCC(CC1)N TS04399 [1,0,0,1,0,0|1,0,1]=4 764 B8R1.22 C1CCCC(CC1)O TS04470 [1,0,0,1,0,0|0,0,2]=4 765 B8R1.22 C1CCCN(CC1)N TS04497 [1,0,0,1,0,0|2,0,0]=4 766 B8R1.22 C1CNCC(=O)NC1 TS32078 [1,0,0,1,0,0|2,0,0]=4 767 B8R1.22 C1COCC(=O)CO1 TS32190 [1,0,0,1,0,0|2,0,0]=4 768 B8R1.22 C1COCCNC1=O TS04534 [1,0,0,1,0,0|2,0,0]=4 769 B8R1.22 CC1=CCCCCC1 TS04216 [1,0,0,1,0,0|1,0,1]=4 770 B8R1.22 CC1CCCCCC1 TS04339 [1,0,0,1,0,0|1,0,1]=4 771 B8R1.22 CN1CCCCCC1 TS32032 [1,0,0,1,0,0|2,0,0]=4 772 B8R1.38 C1CC(C1)C(=O)NN TS90294 [1,0,0,1,0,0|2,0,0]=4 773 B8R1.38 COC(=O)C1CCC1 TS32060 [1,0,0,1,0,0|1,0,0]=3 774 B8R1.38 COC(=O)C1CCN1 TS01748 [1,0,0,1,0,0|2,0,0]=4 775 B8R1.38 COC(=O)C1CNC1 TS41065 [1,0,0,1,0,0|2,0,0]=4 776 B8R1.38 COC(=O)[C@@H]1CCN1 TS86979 [1,0,0,1,0,0|2,0,0]=4 777 B8R1.38 COC(=O)[C@H]1CCN1 TS91415 [1,0,0,1,0,0|2,0,0]=4 778 B8R1.40 C1CC1NC(=O)CCl TS36794 [1,0,0,1,0,0|2,0,0]=4 779 B8R1.40 C1CC1NC(=O)CN TS09977 [1,0,0,1,0,0|2,0,0]=4 780 B8R1.40 C1CC1NC(=O)CN TS32079 [1,0,0,1,0,0|2,0,0]=4 781 B8R1.40 COC(=O)CC1CC1 TS88176 [1,0,0,1,0,0|1,0,0]=3 782 B8R1.40 COC(=O)NC1CC1 TS04530 [1,0,0,1,0,0|2,0,0]=4 783 B8R1.50 CC1C(=O)CCC1=O TS04283 [1,0,0,1,0,0|1,0,1]=4 784 B8R1.50 CC1CCC(=C1C)C TS31847 [1,0,0,1,0,0|1,0,1]=4 785 B8R1.50 CC1CCC(=O)N1C TS04391 [1,0,0,1,0,0|1,0,0]=3 786 B8R1.50 CN1C(CCC1=O)O TS04533 [1,0,0,1,0,0|2,0,0]=4 787 B8R1.50 C[C@H]1[C@@H]([C@@H](CC1)C)C TS04338 [1,0,0,1,0,0|1,0,1]=4 788 B8R1.52 CCC1(CCCC1)C TS04357 [1,0,0,1,0,0|1,0,1]=4 789 B8R1.52 CCC1(CCCC1)O TS39600 [1,0,0,1,0,0|0,0,2]=4 790 B8R1.52 CC[N+]1(CCCC1)C TS16336 [1,0,0,1,0,0|2,0,0]=4 791 B8R1.4 CC1CC(CCN1)O TS85562 [1,0,0,1,0,0|2,0,0]=4 792 B8R1.4 CC1CC(CCO1)O TS88683 [1,0,0,1,0,0|2,0,0]=4 793 B8R1.4 CC1CC(CNC1)C TS65817 [1,0,0,1,0,0|1,0,1]=4 794 B8R1.4 CC1CCCC(C1)C TS04353 [1,0,0,1,0,0|0,0,1]=3 795 B8R1.4 CC1CCCC(C1)C TS06754 [1,0,0,1,0,0|0,0,1]=3 796 B8R1.4 CC1CCCC(N1)C TS00705 [1,0,0,1,0,0|1,0,1]=4 797 B8R1.4 CC1CCNC(C1)C TS07699 [1,0,0,1,0,0|1,0,0]=3 798 B8R1.4 CC1CCOC(O1)C TS32215 [1,0,0,1,0,0|2,0,0]=4 799 B8R1.4 C[C@@H]1CCC[C@@H](N1)C TS55822 [1,0,0,1,0,0|1,0,1]=4 800 B8R1.4 C[C@@H]1C[C@@H](CCN1)O TS92594 [1,0,0,1,0,0|2,0,0]=4 801 B8R1.4 C[C@H]1C[C@H](CCN1)O TS91872 [1,0,0,1,0,0|2,0,0]=4 802 B8R1.7 CC(C)C1=CCCC1 TS31848 [1,0,0,1,0,0|0,0,1]=3 803 B8R1.7 CC(C)C1CCCC1 TS04356 [1,0,0,1,0,0|0,0,1]=3 804 B8R1.7 CC(C)C1CCCC1 TS30326 [1,0,0,1,0,0|0,0,1]=3 805 B8R1.7 CC(C)C1CCCC1 TS63820 [1,0,0,1,0,0|0,0,1]=3 806 B8R1.7 CC(C)C1CCCC1 TS67054 [1,0,0,1,0,0|0,0,1]=3 807 B8R1.7 CC(C)C1CCCC1 TS72215 [1,0,0,1,0,0|0,0,1]=3 808 B8R1.7 CC(C)C1CCCC1 TS73878 [1,0,0,1,0,0|0,0,1]=3 809 B8R1.7 CC(C)C1CCCC1 TS74314 [1,0,0,1,0,0|0,0,1]=3 810 B8R1.7 CC(C)C1CCCC1 TS82611 [1,0,0,1,0,0|0,0,1]=3 811 B8R1.7 CC(C)C1CCCC1 TS82651 [1,0,0,1,0,0|0,0,1]=3 812 B8R1.7 CC(C1CCCC1)O TS04475 [1,0,0,1,0,0|1,0,1]=4 813 B8R1.19 CC1CCCC1(C)O TS32102 [1,0,0,1,0,0|1,0,1]=4 814 B8R1.34 CC(C)NC1COC1 TS88533 [1,0,0,1,0,0|2,0,0]=4 815 B8R1.34 CC(C)OC1CNC1 TS10094 [1,0,0,1,0,0|2,0,0]=4 816 B8R1.35 CC(C)OCC1CO1 TS32213 [1,0,0,1,0,0|2,0,0]=4 817 B8R1.36 CCCCCC1CO1 TS04480 [1,0,0,1,0,0|1,0,1]=4 818 B8R1.36 CCCCC[C@@H]1CO1 TS32099 [1,0,0,1,0,0|1,0,1]=4 819 B8R1.36 CCCNCC1CC1 TS32029 [1,0,0,1,0,0|1,0,1]=4 820 B8R1.72 CC1(CCCCC1)O TS32093 [1,0,0,1,0,0|1,0,1]=4 821 B8R1.72 CC1(CCCNC1)C TS04397 [1,0,0,1,0,0|1,0,1]=4 822 B8R1.72 CC1(CCCNC1)C TS40807 [1,0,0,1,0,0|1,0,1]=4 823 B8R1.72 CC1(CCNCC1)C TS09562 [1,0,0,1,0,0|1,0,1]=4 824 B8R1.72 CC1(CCNCC1)C TS86526 [1,0,0,1,0,0|1,0,1]=4 825 B8R1.72 CC1(CNCCN1)C TS47121 [1,0,0,1,0,0|2,0,0]=4 826 B8R1.72 CC1(CNCCN1)C TS49030 [1,0,0,1,0,0|2,0,0]=4 827 B8R1.72 C[N+]1(CCCCC1)C TS40805 [1,0,0,1,0,0|1,0,1]=4 828 B8R1.72 C[Si]1(CCCCC1)C TS36373 [1,0,0,1,0,0|0,1,1]=4 829 B8R1.72 C[Si]1(CCCCO1)C TS05625 [1,0,0,1,0,0|1,1,0]=4 830 B8R1.18 CC1CC(=O)N(N1)C TS32083 [1,0,0,1,0,0|2,0,0]=4 831 B8R1.18 CC1CC(C(=O)O1)Br TS47655 [1,0,0,1,0,0|2,0,0]=4 832 B8R1.18 CN1CC(CC1=O)N TS88582 [1,0,0,1,0,0|2,0,0]=4 833 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C TS31966 [1,0,0,1,0,0|1,0,1]=4 834 B8R1.18 C[C@H]1C[C@@H]([C@H](C1)C)C TS04355 [1,0,0,1,0,0|1,0,1]=4 835 B8R1.37 C1CC1C(=O)CC#N TS31797 [1,0,0,1,0,0|1,0,1]=4 836 B8R1.37 C1CC1C(=O)CC#N TS89517 [1,0,0,1,0,0|1,0,1]=4 837 B8R1.37 CCCC(C)C1CC1 TS04363 [1,0,0,1,0,0|1,0,1]=4 838 B8R1.37 CCOC(=O)C1CC1 TS32071 [1,0,0,1,0,0|1,0,0]=3 839 B8R1.37 CCOC(=O)C1CO1 TS01910 [1,0,0,1,0,0|2,0,0]=4 840 B8R1.37 CCOC(=O)[C@H]1CO1 TS32189 [1,0,0,1,0,0|2,0,0]=4 841 B8R1.54 CC(C)C(C)C1CC1 TS31975 [1,0,0,1,0,0|1,0,1]=4 842 B8R1.54 CN(C)C(=O)C1CC1 TS32014 [1,0,0,1,0,0|1,0,0]=3 843 B10R1.8 CCC1CC(=CC(=O)C1)C TS37224 [0,0,0,1,0,1|0,0,1]=3 844 B10R1.8 CCC1CC(=O)CC(=O)C1 TS41889 [0,0,0,1,0,1|1,0,1]=4 845 B10R1.16 CCCCC1CCC(C1)C TS59743 [0,0,0,1,0,1|1,0,1]=4 846 B10R1.18 CC(C)CC1CCCCC1 TS06527 [0,0,0,1,0,1|1,0,1]=4 847 B10R1.18 CC(C)NC1CCCCC1 TS37519 [0,0,0,1,0,1|1,0,1]=4 848 B10R1.18 CC(C)OC1=CCCCC1 TS06489 [0,0,0,1,0,1|1,0,0]=3 849 B10R1.61 CC(C)C1C(=O)NCCN1 TS06735 [0,0,0,1,0,1|2,0,0]=4 850 B10R1.61 CC(C)C1CCCCC1=O TS06491 [0,0,0,1,0,1|0,0,0]=2 851 B10R1.28 CC(C)(C)C1=CCCCC1 TS06316 [0,1,0,1,0,0|1,0,0]=3 852 B10R1.23 CN(C)C(=O)C1CCCN1 TS06727 [0,1,0,1,0,0|1,0,0]=3 853 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 TS06736 [0,1,0,1,0,0|1,0,0]=3 854 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 TS90455 [0,1,0,1,0,0|1,0,0]=3 855 B10R1.275 CN1CCCC[C@@H](C1=O)N TS06730 [0,1,0,1,0,0|1,0,0]=3 856 B10R1.301 CC1CCCC(C1=O)(C)C TS06508 [0,1,0,1,0,0|0,0,0]=2 857 B10R1.339 CC1C(=O)NC(=O)C1(C)C TS06588 [0,1,0,1,0,0|1,0,1]=4 858 B10R1.13 CC(C)C1CCC(CC1)O TS06750 [0,1,0,1,0,0|1,0,1]=4 859 B10R1.13 CC(C)N1CCC(CC1)N TS44661 [0,1,0,1,0,0|2,0,0]=4 860 B10R1.13 CC(C)N1CCC(CC1)N TS46974 [0,1,0,1,0,0|2,0,0]=4 861 B10R1.13 CC(C)N1CCC(CC1)O TS46975 [0,1,0,1,0,0|2,0,0]=4 862 B10R1.13 CC1CCC(CC1)C(C)C TS06537 [0,1,0,1,0,0|1,0,1]=4 863 B10R1.13 C[C@H]1CC[C@@H](CC1)C(C)C TS06530 [0,1,0,1,0,0|1,0,1]=4 864 B10R1.13 C[C@H]1CC[C@H](CC1)C(C)C TS06533 [0,1,0,1,0,0|1,0,1]=4 865 B10R1.83 CC1(C(CC1=O)C(=O)O)C TS92860 [0,1,0,1,0,0|1,0,1]=4 866 B10R1.359 CC(C)C1=NC(CO1)(C)C TS06600 [0,1,0,1,0,0|2,0,0]=4 867 B10R1.7 C1CCCC(=O)C(CC1)Cl TS11339 [0,1,0,1,0,0|1,0,0]=3 868 B10R1.15 CC(CN)N1CCCCC1 TS37661 [0,1,0,1,0,0|2,0,0]=4 869 B10R1.15 CC(CO)C1CCCCC1 TS06740 [0,1,0,1,0,0|1,0,1]=4 870 B10R1.15 CCC(C)C1CCCCC1 TS06524 [0,1,0,1,0,0|1,0,1]=4 871 B10R1.19 C1CCC(=O)N(CC1)CO TS40089 [0,1,0,1,0,0|1,0,0]=3 872 B10R1.19 C=CN1CCCCCC1=O TS37307 [0,1,0,1,0,0|1,0,1]=4 873 B10R1.176 CN1CCC(CC1=O)CN TS87165 [0,1,0,1,0,0|2,0,0]=4 874 B10R1.176 CN1CCC(CC1=O)CO TS89046 [0,1,0,1,0,0|2,0,0]=4 875 B10R1.230 CC1(CCCCC1=O)NO TS14487 [0,1,0,1,0,0|1,0,0]=3 876 B10R1.348 CC(=C1CCCCCC1)C TS37233 [0,1,0,1,0,0|1,0,1]=4 877 B10R1.63 CC1(CCC(=O)OC1=O)C TS37559 [0,1,0,1,0,0|1,0,1]=4 878 B10R1.134 COC(=O)CC(=O)C1CC1 TS02736 [0,1,0,1,0,0|1,0,1]=4 879 B10R1.131 CCCC1=NN(C(=O)C1)C TS06482 [0,1,0,1,0,0|2,0,0]=4 880 B10R1.262 CCOC1CC(=O)C1(C)C TS89080 [0,1,0,1,0,0|0,0,0]=2 881 B10R1.262 CCOC1CC(C1(C)C)N TS92774 [0,1,0,1,0,0|1,0,1]=4 882 B10R2.178 C1CC2C(=O)CCC1N2 TS92148 [0,0,0,2,0,0|1,0,0]=3 883 B10R2.15 C1CC12CCNCC2=O TS92164 [0,0,0,2,0,0|1,0,0]=3 884 B10R0.78 CCCCC(=O)CCC(C)C TS10761 [0,0,0,0,0,2|0,0,0]=2 885 B10R0.78 CCCCC(=O)OCC(C)C TS11032 [0,0,0,0,0,2|0,0,0]=2 886 B10R0.78 CCCCC(CCC(C)C)O TS11063 [0,0,0,0,0,2|0,0,2]=4