0 B8R0.3 CCC(C(=O)OCC)Br TS51943 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.3 CCC(C(=O)OCC)N TS05659 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.3 CCC(C(=O)OCC)O TS05723 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.3 CCC(C)C(=O)C=CC TS05192 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.3 CCC(C)C(=O)OCC TS36496 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.3 CCC=C(C)C(CC)O TS36335 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.3 CCCC(=O)C(C)CC TS36333 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.3 CCCC(C(C)CC)O TS36557 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.3 CCCC(C)C(C)CC TS05420 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.3 CCCC(C)C(CC)O TS36549 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.3 CCOC(=O)C(=C)C#N TS05068 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.3 CCOC(=O)C(=C)CBr TS00209 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.3 CCOC(=O)C(=C)CCl TS40705 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.3 CCOC(=O)C(=C)CO TS08483 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.3 CCOC(=O)C(=CC)C TS05350 [0,0,0,0,0,0|0,0,2]=2 15 B8R0.3 CCOC(=O)C(=NO)Cl TS55909 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.3 CCOC(=O)C(C#C)O TS36268 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.3 CCOC(=O)C(C)C#N TS55919 [0,0,0,0,0,0|1,0,1]=2 19 B8R0.3 CCOC(=O)C(CBr)Br TS08484 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.3 CCOC(=O)C(CCl)Cl TS12952 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.3 CCOC(=O)N(C)N=O TS36643 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.3 CCOC(=O)[C@@H](CO)N TS45049 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.3 CCOC(=O)[C@H](C)OC TS05726 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.3 CCOC(=O)[C@H](CO)N TS45053 [0,0,0,0,0,0|2,0,0]=2 25 B8R0.3 CCOC(=O)[C@H](CS)N TS15539 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.3 CCC#CC(CC)O TS31952 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.3 CCC(C)CC=CC TS31972 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.3 CCC=CC(C)CC TS31968 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.3 CCCCC(C)CBr TS14345 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.3 CCCCC(C)CC TS32121 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.3 CCCCC(C)CO TS32251 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.3 CCCCC(CC)Br TS14340 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.3 CCCCC(CC)N TS04554 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.3 CCCCC(CC)O TS04628 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.3 CCCNC(C)CC TS04555 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.3 CCOC=C(C)C=O TS04427 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.3 CCOCC(CO)O TS04807 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.3 CC[C@H](C)CCCO TS04624 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.5 CC(C)C(=O)CC#N TS60063 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.5 CCC=C(C)C(C)C TS31953 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.5 CCC=C(C)C(C)O TS04482 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.5 CCCC(=C(C)C)C TS04362 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.5 CCCC(=C)C(C)C TS04341 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.5 CCCC(=O)C(C)C TS32114 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 CCCC(=O)N(C)C TS32149 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.5 CCCC(C(C)C)O TS32239 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.5 CCCC(C)C(C)C TS04507 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.5 CCNC(=O)C(=C)C TS04389 [1,0,0,0,0,0|1,0,2]=4 50 B7R0.5 CCNC(C)C(C)C TS04548 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.5 CCOC(=O)C(=C)Br TS47658 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.5 CCOC(=O)C(=C)C TS00098 [1,0,0,0,0,0|0,0,2]=3 53 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.5 CCOC(=O)C(=O)N TS32272 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.5 CCOC(=O)C(Br)Br TS27397 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.5 CCOC(=O)C(C)Br TS55906 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.5 CCOC(=O)C(C)C TS32217 [1,0,0,0,0,0|0,0,0]=1 59 B7R0.5 CCOC(=O)C(C)Cl TS55916 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.5 CCOC(=O)C(C)F TS32420 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.5 CCOC(=O)C(C)N TS55877 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.5 CCOC(=O)C(C)O TS04714 [1,0,0,0,0,0|1,0,0]=2 63 B7R0.5 CCOC(=O)C(C)S TS05920 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.5 CCOC(=O)C(F)Br TS15410 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.5 CCOC(=O)C(F)Cl TS37443 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.5 CCOC(=O)C(F)F TS39847 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.5 CCOC(=O)C(F)I TS53245 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.5 CCOC(=O)N(Cl)Cl TS10930 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.7 C(CCl)C(=O)CCCl TS46816 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.7 C(CO)C(=O)CCO TS04717 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.7 C(OC(=O)OCCl)Cl TS42012 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.7 CCCC(=CCC)C TS31954 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.7 CCCC(=O)CCC TS32100 [1,0,0,0,0,0|1,0,0]=2 80 B7R0.7 CCCC(=O)OC=C TS04453 [1,0,0,0,0,0|0,0,2]=3 81 B7R0.7 CCCC(=O)OCC TS32219 [1,0,0,0,0,0|0,0,0]=1 82 B7R0.7 CCCC(=O)OCCl TS55810 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.7 CCCC(=S)OCC TS05779 [1,0,0,0,0,0|0,1,0]=2 84 B7R0.7 CCCC(=S)OCC TS07488 [1,0,0,0,0,0|0,1,0]=2 85 B7R0.7 CCCC(C)CCC TS04512 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.7 CCCC(C)OCC TS32250 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.7 CCCC(CCC)Br TS14339 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.7 CCCC(CCC)Cl TS36889 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.7 CCCC(CCC)N TS02992 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.7 CCCC(CCC)O TS04625 [1,0,0,0,0,0|1,0,2]=4 91 B7R0.7 CCCC(CCC)[Zn+] TS62077 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.7 CCCN(C)CCC TS04549 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.7 CCCS(=O)CCC TS36875 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.7 CCNC(=O)NCC TS04609 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.7 CCNC(=O)OCC TS04671 [1,0,0,0,0,0|1,0,0]=2 96 B7R0.7 CCNC(=S)NCC TS05780 [1,0,0,0,0,0|2,1,0]=4 97 B7R0.7 CCOC(=C)OCC TS56207 [1,0,0,0,0,0|2,0,0]=3 98 B7R0.7 CCOC(=O)C#CC TS08727 [1,0,0,0,0,0|0,0,2]=3 99 B7R0.7 CCOC(=O)C=CC TS04436 [1,0,0,0,0,0|0,0,2]=3 100 B7R0.7 CCOC(=O)C=CI TS52258 [1,0,0,0,0,0|1,0,2]=4 101 B7R0.7 CCOC(=O)C=[N+]=[N-] TS77133 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.7 CCOC(=O)CC#C TS31911 [1,0,0,0,0,0|0,0,2]=3 103 B7R0.7 CCOC(=O)CC#N TS32007 [1,0,0,0,0,0|1,0,1]=3 104 B7R0.7 CCOC(=O)CC=C TS04444 [1,0,0,0,0,0|0,0,2]=3 105 B7R0.7 CCOC(=O)CCBr TS08511 [1,0,0,0,0,0|1,0,0]=2 106 B7R0.7 CCOC(=O)CCCl TS66003 [1,0,0,0,0,0|1,0,0]=2 107 B7R0.7 CCOC(=O)CCI TS56139 [1,0,0,0,0,0|1,0,0]=2 108 B7R0.7 CCOC(=O)CCN TS01886 [1,0,0,0,0,0|1,0,0]=2 109 B7R0.7 CCOC(=O)CCN TS04667 [1,0,0,0,0,0|1,0,0]=2 110 B7R0.7 CCOC(=O)CCS TS05923 [1,0,0,0,0,0|1,0,0]=2 111 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [1,0,0,0,0,0|1,0,0]=2 112 B7R0.7 CCOC(=O)CNC TS01479 [1,0,0,0,0,0|1,0,0]=2 113 B7R0.7 CCOC(=O)CNN TS56149 [1,0,0,0,0,0|2,0,0]=3 114 B7R0.7 CCOC(=O)COC TS32327 [1,0,0,0,0,0|1,0,0]=2 115 B7R0.7 CCOC(=O)CSC TS05917 [1,0,0,0,0,0|1,0,0]=2 116 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [1,0,0,0,0,0|1,0,1]=3 117 B7R0.7 CCOC(=O)N=C=O TS08726 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.7 CCOC(=O)N=C=S TS08471 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.7 CCOC(=O)NOC TS32378 [1,0,0,0,0,0|2,0,0]=3 120 B7R0.7 CCOC(=O)OCC TS32315 [1,0,0,0,0,0|1,0,0]=2 121 B7R0.7 CCOC(=O)OCCl TS37245 [1,0,0,0,0,0|2,0,0]=3 122 B7R0.7 CCOC(C)OCC TS04742 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.7 CCOC(OCC)[SiH3] TS36880 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.7 CCOP(C)OCC TS36977 [1,0,0,0,0,0|3,0,0]=4 125 B7R0.7 CCOP(OCC)Cl TS10785 [1,0,0,0,0,0|3,0,0]=4 126 B7R0.7 CCOP([O-])OCC TS01437 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.7 CCOS(=O)OCC TS06288 [1,0,0,0,0,0|2,0,0]=3 128 B7R0.7 CCSC(=O)SCC TS40933 [1,0,0,0,0,0|1,1,0]=3 129 B7R0.10 CC(C(=O)OC)OC TS32317 [1,0,0,0,0,0|1,0,0]=2 130 B7R0.10 CC(C(=O)OC)SC TS05922 [1,0,0,0,0,0|1,0,0]=2 131 B7R0.10 CC=C(C(=O)OC)Br TS47656 [1,0,0,0,0,0|1,0,2]=4 132 B7R0.10 CC=C(C)C(=O)OC TS32064 [1,0,0,0,0,0|0,0,2]=3 133 B7R0.10 CC=C(C)C(=O)OC TS32066 [1,0,0,0,0,0|0,0,2]=3 134 B7R0.10 CCC(=C(C)CC)C TS04354 [1,0,0,0,0,0|1,0,1]=3 135 B7R0.10 CCC(=C(C)CC)C TS31959 [1,0,0,0,0,0|1,0,1]=3 136 B7R0.10 CCC(C(=O)CC)O TS32221 [1,0,0,0,0,0|1,0,0]=2 137 B7R0.10 CCC(C(=O)OC)Br TS65236 [1,0,0,0,0,0|1,0,0]=2 138 B7R0.10 CCC(C(=O)OC)Cl TS06135 [1,0,0,0,0,0|1,0,0]=2 139 B7R0.10 CCC(C(=O)OC)N TS41307 [1,0,0,0,0,0|1,0,0]=2 140 B7R0.10 CCC(C(C)CO)S TS36877 [1,0,0,0,0,0|1,1,1]=4 141 B7R0.10 CCC(C(CC)Br)Br TS61927 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.10 CCC(C)C(=C)CC TS04351 [1,0,0,0,0,0|1,0,0]=2 143 B7R0.10 CCC(C)C(=CC)C TS04350 [1,0,0,0,0,0|1,0,1]=3 144 B7R0.10 CCC(C)C(=O)CC TS04477 [1,0,0,0,0,0|0,0,0]=1 145 B7R0.10 CCC(C)C(=O)OC TS04590 [1,0,0,0,0,0|0,0,0]=1 146 B7R0.10 CCC(C)C(=O)SC TS05776 [1,0,0,0,0,0|0,1,0]=2 147 B7R0.10 CCC(C)C(C)CC TS04508 [1,0,0,0,0,0|1,0,1]=3 148 B7R0.10 CCC(C)C(C)CO TS32242 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.10 CCC(C)C(CC)O TS04626 [1,0,0,0,0,0|0,0,2]=3 150 B7R0.10 CC[C@@H](C)[C@H](CO)N TS22803 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.10 CN(C(=O)CCl)OC TS55286 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.10 COC(=O)C(=C)CBr TS47657 [1,0,0,0,0,0|1,0,2]=4 153 B7R0.10 COC(=O)C(=O)CBr TS14714 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.10 COC(=O)C(=O)OC TS39853 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.10 COC(=O)C(C=C)O TS32185 [1,0,0,0,0,0|1,0,2]=4 156 B7R0.10 COC(=O)C(CBr)Br TS27392 [1,0,0,0,0,0|2,0,0]=3 157 B7R0.10 COC(=O)C(CCl)Cl TS10813 [1,0,0,0,0,0|2,0,0]=3 158 B7R0.10 COC(=O)C(CCl)N TS08717 [1,0,0,0,0,0|2,0,0]=3 159 B7R0.10 COC(=O)C(CO)Cl TS37246 [1,0,0,0,0,0|2,0,0]=3 160 B7R0.10 COC(=O)C(CO)N TS47365 [1,0,0,0,0,0|2,0,0]=3 161 B7R0.10 COC(=O)[C@@H](CCl)N TS45716 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.10 COC(=O)[C@@H](CO)N TS55886 [1,0,0,0,0,0|2,0,0]=3 163 B7R0.10 COC(=O)[C@H](CCl)N TS06211 [1,0,0,0,0,0|2,0,0]=3 164 B7R0.10 COC(=O)[C@H](CO)N TS46686 [1,0,0,0,0,0|2,0,0]=3 165 B7R0.10 COC(=O)[C@H](CS)N TS64915 [1,0,0,0,0,0|2,0,0]=3 166 B7R0.10 COC(C(=O)OC)O TS01782 [1,0,0,0,0,0|2,0,0]=3 167 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [1,0,0,0,0,0|1,0,0]=2 168 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [1,0,0,0,0,0|1,0,0]=2 169 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [1,0,0,0,0,0|1,0,0]=2 170 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [1,0,0,0,0,0|1,0,0]=2 171 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [1,0,0,0,0,0|1,0,0]=2 172 B9R0.6 CCCC(C(C)C(C)O)O TS07251 [0,1,0,0,0,0|1,0,2]=4 173 B9R0.6 CCOC(=O)C(=O)C(C)C TS06953 [0,1,0,0,0,0|1,0,1]=3 174 B9R0.6 CCOC(=O)C(=O)N(C)C TS40286 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.6 CCOC(=O)C(C(=O)C)Cl TS00067 [0,1,0,0,0,0|1,0,1]=3 176 B9R0.6 CCOC(=O)C(C(=O)C)F TS40607 [0,1,0,0,0,0|1,0,1]=3 177 B9R0.6 CCOC(=O)C(C(C)Br)Br TS74395 [0,1,0,0,0,0|1,0,0]=2 178 B9R0.6 CCOC(=O)C(C(C)C)Br TS55905 [0,1,0,0,0,0|1,0,0]=2 179 B9R0.6 CCOC(=O)C(C(C)C)N TS48167 [0,1,0,0,0,0|1,0,0]=2 180 B9R0.6 CCOC(=O)C(C)C(=O)C TS00094 [0,1,0,0,0,0|0,0,1]=2 181 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] TS40494 [0,1,0,0,0,0|2,0,0]=3 182 B9R0.6 CCOC(=O)[C@@H](C(C)C)N TS48159 [0,1,0,0,0,0|1,0,0]=2 183 B9R0.6 CCOC(=O)[C@H](C(C)C)N TS48151 [0,1,0,0,0,0|1,0,0]=2 184 B9R0.6 CCOC(=O)[C@H]([C@@H](C)O)N TS48480 [0,1,0,0,0,0|1,0,0]=2 185 B9R0.8 CC=C(C)C(=O)OCC=C TS06474 [0,1,0,0,0,0|0,0,3]=4 186 B9R0.8 CCCCC(=O)C(C)CC TS37636 [0,1,0,0,0,0|1,0,0]=2 187 B9R0.8 CCCCC(C(C)CC)O TS07019 [0,1,0,0,0,0|1,0,2]=4 188 B9R0.8 CCCOC(=O)C(=CC)C TS06700 [0,1,0,0,0,0|0,0,2]=3 189 B9R0.8 CCCOC(=O)C(C)CC TS40216 [0,1,0,0,0,0|0,0,0]=1 190 B9R0.19 CCOC(=O)C(C)(C)C#N TS06599 [0,1,0,0,0,0|1,0,1]=3 191 B9R0.19 CCOC(=O)C(C)(C)CCl TS11951 [0,1,0,0,0,0|1,0,0]=2 192 B9R0.19 CCOC(=O)C(C)(CBr)Br TS74393 [0,1,0,0,0,0|1,0,0]=2 193 B9R0.23 CC(C)OC(=O)[C@H](CS)N TS37821 [0,1,0,0,0,0|2,0,0]=3 194 B9R0.23 CC=C(C)C(=O)OC(C)C TS06716 [0,1,0,0,0,0|0,0,2]=3 195 B9R0.23 CCC(C)C(=O)OC(C)C TS40221 [0,1,0,0,0,0|0,0,0]=1 196 B9R0.27 CCC(C)C(=O)C(C)CC TS06741 [0,1,0,0,0,0|1,0,0]=2 197 B9R0.27 CCC(C)C(C(C)CC)O TS40245 [0,1,0,0,0,0|1,0,2]=4 198 B9R0.27 CCC(C)C(C)C(C)CC TS06790 [0,1,0,0,0,0|2,0,1]=4 199 B9R0.35 CCC=C(C)C(=O)OCC TS37603 [0,1,0,0,0,0|0,0,1]=2 200 B9R0.35 CCCC(=O)C(=O)OCC TS85095 [0,1,0,0,0,0|1,0,1]=3 201 B9R0.35 CCCC(C(=O)CCC)O TS40202 [0,1,0,0,0,0|2,0,0]=3 202 B9R0.35 CCCC(C(=O)OCC)Br TS20692 [0,1,0,0,0,0|1,0,0]=2 203 B9R0.35 CCCC(C(=O)OCC)O TS40414 [0,1,0,0,0,0|1,0,0]=2 204 B9R0.35 CCCC(C)C(=O)CCC TS06752 [0,1,0,0,0,0|1,0,0]=2 205 B9R0.35 CCCC(C)C(=O)OCC TS06992 [0,1,0,0,0,0|0,0,0]=1 206 B9R0.35 CCCC(C)C(CCC)O TS07017 [0,1,0,0,0,0|1,0,2]=4 207 B9R0.35 CCC[C@@H](C(=O)OCC)N TS48149 [0,1,0,0,0,0|1,0,0]=2 208 B9R0.35 CCNC(=O)C(=O)NCC TS40173 [0,1,0,0,0,0|2,0,1]=4 209 B9R0.35 CCOC(=O)C(=O)OCC TS01436 [0,1,0,0,0,0|1,0,1]=3 210 B9R0.35 CCOC(=O)C(C)C=C=C TS06463 [0,1,0,0,0,0|0,0,2]=3 211 B9R0.35 CCOC(=O)C(C)C=CC TS37595 [0,1,0,0,0,0|0,0,1]=2 212 B9R0.35 CCOC(=O)C(C)N=C=O TS06825 [0,1,0,0,0,0|1,0,1]=3 213 B9R0.35 CCOC(=O)C(C)N=C=S TS42067 [0,1,0,0,0,0|1,0,1]=3 214 B9R0.35 CCOC(=O)C(C)SSC TS14672 [0,1,0,0,0,0|1,0,0]=2 215 B9R0.35 CCOC(=O)C(CCBr)Br TS64882 [0,1,0,0,0,0|1,0,0]=2 216 B9R0.35 CCOC(C(=O)OCC)Cl TS12302 [0,1,0,0,0,0|1,0,0]=2 217 B9R0.35 CCOC(C(=O)OCC)O TS07404 [0,1,0,0,0,0|1,0,0]=2 218 B9R0.35 CCOC(C)C(=O)OCC TS40412 [0,1,0,0,0,0|0,0,0]=1 219 B9R0.37 CCC(CC)C(=O)OCC TS40212 [0,1,0,0,0,0|0,0,0]=1 220 B9R0.37 CCCC(=O)C(CC)CC TS06749 [0,1,0,0,0,0|1,0,0]=2 221 B9R0.37 CCCC(=O)N(CC)CC TS40109 [0,1,0,0,0,0|2,0,0]=3 222 B9R0.37 CCCC(C(CC)CC)O TS40236 [0,1,0,0,0,0|1,0,2]=4 223 B9R0.37 CCCC(C(CC)CO)O TS07259 [0,1,0,0,0,0|1,0,2]=4 224 B9R0.37 CCCC(C(CC)C[O-])[O-] TS84241 [0,1,0,0,0,0|1,0,2]=4 225 B9R0.37 CCN(CC)C(=O)CCN TS14701 [0,1,0,0,0,0|3,0,0]=4 226 B9R0.37 CCOC(=O)C(C=O)C=O TS86342 [0,1,0,0,0,0|1,0,2]=4 227 B9R0.37 CCOC(=O)C(CBr)CBr TS74396 [0,1,0,0,0,0|1,0,0]=2 228 B9R1.3 CC1C(=O)CCCC1=O TS05155 [0,0,0,1,0,0|2,0,1]=4 229 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,0,0,1,0,0|2,0,1]=4 230 B9R1.3 CC1CCCC(C1C)C TS05217 [0,0,0,1,0,0|2,0,1]=4 231 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [0,0,0,1,0,0|3,0,0]=4 232 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,0,0,1,0,0|2,0,0]=3 233 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,0,0,1,0,0|2,0,0]=3 234 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,0,0,1,0,0|2,0,0]=3 235 B9R1.5 C1CSC[C@@H](C(=O)N1)N TS46614 [0,0,0,1,0,0|3,0,0]=4 236 B9R1.5 CN1CCCCCC1=O TS36239 [0,0,0,1,0,0|2,0,0]=3 237 B9R1.5 CN1CCCNCC1=O TS05356 [0,0,0,1,0,0|3,0,0]=4 238 B9R1.15 C1CCC(=O)C(C1)C#N TS04966 [0,0,0,1,0,0|2,0,1]=4 239 B9R1.15 CC=C1CCCCC1=O TS36005 [0,0,0,1,0,0|1,0,2]=4 240 B9R1.15 CCC1C(=O)NCCN1 TS05358 [0,0,0,1,0,0|2,0,0]=3 241 B9R1.15 CC[C@@H]1CCCC[C@@H]1C TS05230 [0,0,0,1,0,0|2,0,1]=4 242 B9R1.15 CC[C@@H]1CCCC[C@H]1C TS05214 [0,0,0,1,0,0|2,0,1]=4 243 B9R1.15 COC1CCCCC1=O TS05343 [0,0,0,1,0,0|2,0,0]=3 244 B9R1.15 COC1CCCNC1=O TS00160 [0,0,0,1,0,0|2,0,0]=3 245 B9R1.15 COC1COCCC1=O TS87427 [0,0,0,1,0,0|3,0,0]=4 246 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [0,0,0,1,0,0|2,0,0]=3 247 B9R1.15 CSC1CCCCC1=O TS40228 [0,0,0,1,0,0|2,0,0]=3 248 B9R1.37 CC1C(=C(C(=O)O1)O)C TS36275 [0,0,0,1,0,0|1,0,2]=4 249 B9R1.37 CC1CC(C(C1C)C)C TS35724 [0,0,0,1,0,0|2,0,1]=4 250 B9R1.37 CC1CC(C(C1C)C)C TS35990 [0,0,0,1,0,0|2,0,1]=4 251 B9R1.37 CC1CC(C(C1C)C)C TS36179 [0,0,0,1,0,0|2,0,1]=4 252 B9R1.37 CC1CC(C(C1C)C)C TS56016 [0,0,0,1,0,0|2,0,1]=4 253 B9R1.37 CC1CC(C(C1C)C)C TS61459 [0,0,0,1,0,0|2,0,1]=4 254 B9R1.37 CC1CC(C(C1C)C)C TS67509 [0,0,0,1,0,0|2,0,1]=4 255 B9R1.37 CC1CC(C(C1C)C)C TS74665 [0,0,0,1,0,0|2,0,1]=4 256 B9R1.37 CC1CC(C(C1C)C)C TS81236 [0,0,0,1,0,0|2,0,1]=4 257 B9R1.37 CC1CC(C(C1C)C)C TS83325 [0,0,0,1,0,0|2,0,1]=4 258 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,0,0,1,0,0|1,0,0]=2 259 B9R1.69 CC1CCC(C(C1)C)C TS05216 [0,0,0,1,0,0|2,0,1]=4 260 B9R1.73 C1CC(C1)C(=O)CC#N TS88512 [0,0,0,1,0,0|2,0,1]=4 261 B9R1.73 CCOC(=O)C1CCC1 TS59781 [0,0,0,1,0,0|0,0,0]=1 262 B9R1.73 CCOC(=O)C1CNC1 TS42980 [0,0,0,1,0,0|1,0,0]=2 263 B9R1.74 CC1(CC1)C(=O)CC#N TS04978 [0,0,0,1,0,0|2,0,1]=4 264 B9R1.74 CCC=C(C)C1(CC1)N TS05111 [0,0,0,1,0,0|3,0,0]=4 265 B9R1.74 CCOC(=O)C1(CC1)C TS77135 [0,0,0,1,0,0|0,0,0]=1 266 B9R1.74 CCOC(=O)C1(CC1)N TS00390 [0,0,0,1,0,0|1,0,0]=2 267 B9R1.183 CCOC(=O)C1CC1C TS32692 [0,0,0,1,0,0|0,0,0]=1 268 B9R1.183 CCOC(=O)[C@@H]1C[C@H]1F TS36653 [0,0,0,1,0,0|1,0,0]=2 269 B9R1.183 CCOC(=O)[C@@H]1[C@@H](O1)C TS05523 [0,0,0,1,0,0|1,0,0]=2 270 B9R0.34 CCC(=O)CC(=O)OCC TS01475 [0,0,0,0,0,1|1,0,1]=3 271 B9R0.34 CCC(C)OC(=O)C=CC TS37594 [0,0,0,0,0,1|1,0,1]=3 272 B9R0.34 CCCC(C)CC(C)CC TS06787 [0,0,0,0,0,1|2,0,1]=4 273 B9R0.34 CCOC(=O)C=C(C)C=O TS37563 [0,0,0,0,0,1|1,0,2]=4 274 B9R0.34 CCOC(=O)C=C(C)CBr TS20309 [0,0,0,0,0,1|1,0,1]=3 275 B9R0.34 CCOC(=O)C=C(C)NC TS02839 [0,0,0,0,0,1|1,0,1]=3 276 B9R0.34 CCOC(=O)CC(=O)CBr TS70980 [0,0,0,0,0,1|2,0,1]=4 277 B9R0.34 CCOC(=O)CC(=O)CCl TS42828 [0,0,0,0,0,1|2,0,1]=4 278 B9R0.34 CCOC(=O)CC(C)SC TS11613 [0,0,0,0,0,1|1,0,0]=2 279 B9R0.34 CCOC(=O)C[C@@H](CBr)O TS21056 [0,0,0,0,0,1|2,0,0]=3 280 B9R0.34 CCOC(=O)C[C@@H](CCl)O TS08648 [0,0,0,0,0,1|2,0,0]=3 281 B9R0.34 CCOC(=O)C[C@H](CBr)O TS21055 [0,0,0,0,0,1|2,0,0]=3 282 B9R0.34 CCOC(=O)C[C@H](CCl)O TS39748 [0,0,0,0,0,1|2,0,0]=3 283 B9R0.34 CCOC(=O)NC(=O)CCl TS42960 [0,0,0,0,0,1|2,0,1]=4 284 B6R0.1 C(C(=O)OCO)N TS05233 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.1 C(CN)C(=O)CN TS13627 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.1 C(CO)C(=O)CN TS37313 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.1 CC#CC(=O)OC TS03761 [2,0,0,0,0,0|0,0,2]=4 288 B6R0.1 CC(COC)OC TS94098 [2,0,0,0,0,0|1,0,1]=4 289 B6R0.1 CC=CC(=O)OC TS56315 [2,0,0,0,0,0|0,0,2]=4 290 B6R0.1 CCC(=O)C=CC TS31436 [2,0,0,0,0,0|0,0,2]=4 291 B6R0.1 CCC(=O)CC#N TS31393 [2,0,0,0,0,0|1,0,1]=4 292 B6R0.1 CCC(=O)CSC TS32357 [2,0,0,0,0,0|1,0,0]=3 293 B6R0.1 CCC(=O)NCC TS03904 [2,0,0,0,0,0|1,0,0]=3 294 B6R0.1 CCC(=O)OC=C TS31498 [2,0,0,0,0,0|0,0,2]=4 295 B6R0.1 CCC(=O)OCC TS03938 [2,0,0,0,0,0|0,0,0]=2 296 B6R0.1 CCC(=O)SCC TS32362 [2,0,0,0,0,0|0,1,0]=3 297 B6R0.1 CCC(C)C#CC TS03735 [2,0,0,0,0,0|0,0,2]=4 298 B6R0.1 CCC(C)C=CC TS03791 [2,0,0,0,0,0|0,0,1]=3 299 B6R0.1 CCC(C)CCBr TS42853 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.1 CCC(C)CCO TS31615 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.1 CCC(C)ON=O TS31635 [2,0,0,0,0,0|2,0,0]=4 302 B6R0.1 CCC(C)SCC TS04755 [2,0,0,0,0,0|0,1,0]=3 303 B6R0.1 CCC(C=CC)O TS03868 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.1 CCC(COC)N TS04013 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.1 CCC(COC)O TS04038 [2,0,0,0,0,0|1,0,1]=4 306 B6R0.1 CCCC(=C)CC TS03794 [2,0,0,0,0,0|1,0,0]=3 307 B6R0.1 CCCC(=CC)C TS31455 [2,0,0,0,0,0|1,0,1]=4 308 B6R0.1 CCCC(=O)CC TS31522 [2,0,0,0,0,0|0,0,0]=2 309 B6R0.1 CCCC(=O)NN TS31598 [2,0,0,0,0,0|2,0,0]=4 310 B6R0.1 CCCC(=O)OC TS03955 [2,0,0,0,0,0|0,0,0]=2 311 B6R0.1 CCCC(=S)OC TS32358 [2,0,0,0,0,0|0,1,0]=3 312 B6R0.1 CCCC(C)CBr TS42857 [2,0,0,0,0,0|1,0,1]=4 313 B6R0.1 CCCC(C)CC TS03886 [2,0,0,0,0,0|0,0,1]=3 314 B6R0.1 CCCC(C)CO TS39282 [2,0,0,0,0,0|1,0,1]=4 315 B6R0.1 CCCC(C)NC TS03920 [2,0,0,0,0,0|1,0,1]=4 316 B6R0.1 CCCC(CC)Br TS42856 [2,0,0,0,0,0|1,0,1]=4 317 B6R0.1 CCCC(CC)Cl TS04841 [2,0,0,0,0,0|1,0,1]=4 318 B6R0.1 CCCC(CC)I TS44109 [2,0,0,0,0,0|1,0,1]=4 319 B6R0.1 CCCC(CC)N TS31564 [2,0,0,0,0,0|1,0,1]=4 320 B6R0.1 CCCC(CC)O TS31611 [2,0,0,0,0,0|0,0,2]=4 321 B6R0.1 CCCC(CC)S TS40939 [2,0,0,0,0,0|0,1,1]=4 322 B6R0.1 CCCC(CC)[Zn+] TS24971 [2,0,0,0,0,0|1,0,1]=4 323 B6R0.1 CCNC(=O)CCl TS04876 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.1 CCNC(=O)OC TS31636 [2,0,0,0,0,0|1,0,0]=3 325 B6R0.1 CCOC(=O)C#C TS03762 [2,0,0,0,0,0|0,0,2]=4 326 B6R0.1 CCOC(=O)C#N TS31469 [2,0,0,0,0,0|1,0,1]=4 327 B6R0.1 CCOC(=O)C=C TS33216 [2,0,0,0,0,0|0,0,2]=4 328 B6R0.1 CCOC(=O)C=O TS56148 [2,0,0,0,0,0|1,0,1]=4 329 B6R0.1 CCOC(=O)CBr TS56141 [2,0,0,0,0,0|1,0,0]=3 330 B6R0.1 CCOC(=O)CCl TS39825 [2,0,0,0,0,0|1,0,0]=3 331 B6R0.1 CCOC(=O)CF TS65215 [2,0,0,0,0,0|1,0,0]=3 332 B6R0.1 CCOC(=O)CN TS31646 [2,0,0,0,0,0|1,0,0]=3 333 B6R0.1 CCOC(=O)CN TS33221 [2,0,0,0,0,0|1,0,0]=3 334 B6R0.1 CCOC(=O)CO TS56147 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.1 CCOC(=O)CS TS01466 [2,0,0,0,0,0|1,0,0]=3 336 B6R0.1 CCOC(=O)NC TS31637 [2,0,0,0,0,0|1,0,0]=3 337 B6R0.1 CCOC(=O)NN TS59780 [2,0,0,0,0,0|2,0,0]=4 338 B6R0.1 CCOC(=O)NO TS04067 [2,0,0,0,0,0|2,0,0]=4 339 B6R0.1 CCOC(=O)OC TS31662 [2,0,0,0,0,0|1,0,0]=3 340 B6R0.1 CCOC(CBr)Br TS25152 [2,0,0,0,0,0|2,0,0]=4 341 B6R0.1 CCOC(CCl)Cl TS06818 [2,0,0,0,0,0|2,0,0]=4 342 B6R0.1 CC[C@H](C)CCBr TS42859 [2,0,0,0,0,0|1,0,1]=4 343 B6R0.1 CC[C@H](C)CCO TS31612 [2,0,0,0,0,0|1,0,1]=4 344 B6R0.1 CNCC(=O)OC TS01682 [2,0,0,0,0,0|1,0,0]=3 345 B6R0.1 COC(=O)CC#N TS31466 [2,0,0,0,0,0|1,0,1]=4 346 B6R0.1 COC(=O)CC=C TS31502 [2,0,0,0,0,0|0,0,2]=4 347 B6R0.1 COC(=O)CCBr TS56269 [2,0,0,0,0,0|1,0,0]=3 348 B6R0.1 COC(=O)CCCl TS04939 [2,0,0,0,0,0|1,0,0]=3 349 B6R0.1 COC(=O)CCN TS08577 [2,0,0,0,0,0|1,0,0]=3 350 B6R0.1 COC(=O)CCO TS65233 [2,0,0,0,0,0|1,0,0]=3 351 B6R0.1 COC(=O)CCS TS04824 [2,0,0,0,0,0|1,0,0]=3 352 B6R0.1 COC(=O)CSC TS39398 [2,0,0,0,0,0|1,0,0]=3 353 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [2,0,0,0,0,0|1,0,1]=4 354 B6R0.1 COCC(=O)OC TS39892 [2,0,0,0,0,0|1,0,0]=3 355 B6R0.4 CCC#CC(C)C TS03722 [2,0,0,0,0,0|1,0,1]=4 356 B6R0.4 CCC=CC(C)C TS03789 [2,0,0,0,0,0|1,0,0]=3 357 B6R0.4 CCCCC(C)C TS03881 [2,0,0,0,0,0|1,0,1]=4 358 B6R0.4 CCCNC(C)C TS03926 [2,0,0,0,0,0|2,0,0]=4 359 B6R0.4 CCCSC(C)C TS32368 [2,0,0,0,0,0|2,0,0]=4 360 B6R0.4 CCOCC(C)C TS03959 [2,0,0,0,0,0|0,0,1]=3 361 B6R0.4 CCSCC(C)C TS04752 [2,0,0,0,0,0|0,1,1]=4 362 B6R0.6 CCC#COCC TS31433 [2,0,0,0,0,0|0,0,2]=4 363 B6R0.6 CCC=CCCO TS31511 [2,0,0,0,0,0|2,0,0]=4 364 B6R0.6 CCC=CCCO TS31515 [2,0,0,0,0,0|2,0,0]=4 365 B6R0.6 CCCC#CCC TS03730 [2,0,0,0,0,0|1,0,1]=4 366 B6R0.6 CCCC=CCO TS03865 [2,0,0,0,0,0|2,0,0]=4 367 B6R0.6 CCCCCCC TS03885 [2,0,0,0,0,0|1,0,1]=4 368 B6R0.6 CCCCNCC TS03925 [2,0,0,0,0,0|1,0,1]=4 369 B6R0.6 CCCCOCC TS03964 [2,0,0,0,0,0|0,0,1]=3 370 B6R0.6 CCCCOCCl TS04949 [2,0,0,0,0,0|1,0,1]=4 371 B6R0.6 CCCCSCC TS04749 [2,0,0,0,0,0|0,1,1]=4 372 B6R0.6 CCCNCCC TS39857 [2,0,0,0,0,0|2,0,0]=4 373 B6R0.6 CCCOCCC TS03967 [2,0,0,0,0,0|2,0,0]=4 374 B6R0.6 CCCOCCC TS49356 [2,0,0,0,0,0|2,0,0]=4 375 B6R0.6 CCCSCCC TS04756 [2,0,0,0,0,0|2,0,0]=4 376 B6R0.6 CCCSSCC TS37066 [2,0,0,0,0,0|1,1,0]=4 377 B6R0.6 CCC[Hg]CCC TS35002 [2,0,0,0,0,0|2,0,0]=4 378 B6R0.6 CCOCCCBr TS12340 [2,0,0,0,0,0|1,0,1]=4 379 B6R0.6 CCOCCCCl TS04950 [2,0,0,0,0,0|1,0,1]=4 380 B6R0.6 CCOCCCN TS04010 [2,0,0,0,0,0|1,0,1]=4 381 B6R0.6 CCOCCCO TS04028 [2,0,0,0,0,0|1,0,1]=4 382 B6R0.6 CCOCCOC TS04027 [2,0,0,0,0,0|1,0,1]=4 383 B6R0.6 CCOCOCC TS74492 [2,0,0,0,0,0|1,0,1]=4 384 B6R0.3 B(C(C)CC)(O)O TS85136 [2,0,0,0,0,0|1,0,1]=4 385 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [2,0,0,0,0,0|2,0,0]=4 386 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [2,0,0,0,0,0|2,0,0]=4 387 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [2,0,0,0,0,0|2,0,0]=4 388 B6R0.3 C(C(C(=O)O)N)F TS31750 [2,0,0,0,0,0|2,0,0]=4 389 B6R0.3 C(C(C(=O)O)N)N TS15412 [2,0,0,0,0,0|2,0,0]=4 390 B6R0.3 C(C(C(=O)O)N)N TS55876 [2,0,0,0,0,0|2,0,0]=4 391 B6R0.3 C(C(C(=O)O)N)O TS04070 [2,0,0,0,0,0|2,0,0]=4 392 B6R0.3 C(C(C(=O)O)N)O TS93662 [2,0,0,0,0,0|2,0,0]=4 393 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [2,0,0,0,0,0|2,0,0]=4 394 B6R0.3 C(C(C(=O)O)O)N TS55880 [2,0,0,0,0,0|2,0,0]=4 395 B6R0.3 C(C(C(=O)O)O)O TS31726 [2,0,0,0,0,0|2,0,0]=4 396 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [2,0,0,0,0,0|2,0,0]=4 397 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [2,0,0,0,0,0|2,0,0]=4 398 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [2,0,0,0,0,0|2,0,0]=4 399 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [2,0,0,0,0,0|2,0,0]=4 400 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [2,0,0,0,0,0|2,0,0]=4 401 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [2,0,0,0,0,0|2,0,0]=4 402 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [2,0,0,0,0,0|2,0,0]=4 403 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [2,0,0,0,0,0|2,0,0]=4 404 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [2,0,0,0,0,0|2,0,0]=4 405 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [2,0,0,0,0,0|2,0,0]=4 406 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [2,0,0,0,0,0|2,0,0]=4 407 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [2,0,0,0,0,0|2,0,0]=4 408 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [2,0,0,0,0,0|2,0,0]=4 409 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [2,0,0,0,0,0|2,0,0]=4 410 B6R0.3 CC(=C)C(=O)OC TS31500 [2,0,0,0,0,0|0,0,2]=4 411 B6R0.3 CC(=O)C(=O)OC TS31579 [2,0,0,0,0,0|1,0,1]=4 412 B6R0.3 CC(=O)N(C)OC TS56410 [2,0,0,0,0,0|2,0,0]=4 413 B6R0.3 CC(C(=O)C)SC TS32356 [2,0,0,0,0,0|1,0,0]=3 414 B6R0.3 CC(C(=O)O)NC TS31640 [2,0,0,0,0,0|1,0,0]=3 415 B6R0.3 CC(C(=O)OC)Br TS12330 [2,0,0,0,0,0|1,0,0]=3 416 B6R0.3 CC(C(=O)OC)Br TS93879 [2,0,0,0,0,0|1,0,0]=3 417 B6R0.3 CC(C(=O)OC)Cl TS04944 [2,0,0,0,0,0|1,0,0]=3 418 B6R0.3 CC(C(=O)OC)N TS55725 [2,0,0,0,0,0|1,0,0]=3 419 B6R0.3 CC(C(=O)OC)O TS31661 [2,0,0,0,0,0|1,0,0]=3 420 B6R0.3 CC(C)C(=N)OC TS37144 [2,0,0,0,0,0|1,0,0]=3 421 B6R0.3 CC(C)C(=O)CBr TS00029 [2,0,0,0,0,0|1,0,0]=3 422 B6R0.3 CC(C)C(=O)NN TS31595 [2,0,0,0,0,0|2,0,0]=4 423 B6R0.3 CC(C)C(=O)NN TS66305 [2,0,0,0,0,0|2,0,0]=4 424 B6R0.3 CC(C)C(=O)NO TS03991 [2,0,0,0,0,0|2,0,0]=4 425 B6R0.3 CC(C)C(=O)OC TS03944 [2,0,0,0,0,0|0,0,0]=2 426 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [2,0,0,0,0,0|0,1,0]=3 427 B6R0.3 CC(C=C)C(=O)O TS03843 [2,0,0,0,0,0|0,0,2]=4 428 B6R0.3 CC(CN)C(=O)O TS04859 [2,0,0,0,0,0|1,0,0]=3 429 B6R0.3 CC(CN)C(=O)O TS31641 [2,0,0,0,0,0|1,0,0]=3 430 B6R0.3 CC(CO)C(=O)C TS03953 [2,0,0,0,0,0|1,0,0]=3 431 B6R0.3 CC(CS)C(=O)O TS04823 [2,0,0,0,0,0|1,0,0]=3 432 B6R0.3 CC=C(C)C(=O)C TS31447 [2,0,0,0,0,0|0,0,2]=4 433 B6R0.3 CC=C(C)C(=O)O TS03838 [2,0,0,0,0,0|0,0,2]=4 434 B6R0.3 CC=C(C)C(=O)O TS03840 [2,0,0,0,0,0|0,0,2]=4 435 B6R0.3 CC=C(C)C(C)C TS03807 [2,0,0,0,0,0|1,0,1]=4 436 B6R0.3 CC=C(C)C(C)C TS31450 [2,0,0,0,0,0|1,0,1]=4 437 B6R0.3 CCC(=C)C(C)C TS03792 [2,0,0,0,0,0|1,0,0]=3 438 B6R0.3 CCC(=O)C(=O)C TS03844 [2,0,0,0,0,0|1,0,1]=4 439 B6R0.3 CCC(=O)C(=O)O TS31578 [2,0,0,0,0,0|1,0,1]=4 440 B6R0.3 CCC(=O)C(C)C TS31520 [2,0,0,0,0,0|0,0,0]=2 441 B6R0.3 CCC(=O)N(C)C TS31553 [2,0,0,0,0,0|1,0,0]=3 442 B6R0.3 CCC(C(=C)C)O TS31517 [2,0,0,0,0,0|2,0,0]=4 443 B6R0.3 CCC(C(=O)Br)Br TS52915 [2,0,0,0,0,0|2,0,0]=4 444 B6R0.3 CCC(C(=O)C)S TS32355 [2,0,0,0,0,0|1,0,0]=3 445 B6R0.3 CCC(C(=O)Cl)Br TS48787 [2,0,0,0,0,0|2,0,0]=4 446 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [2,0,0,0,0,0|2,0,0]=4 447 B6R0.3 CCC(C(=O)N)Cl TS04875 [2,0,0,0,0,0|2,0,0]=4 448 B6R0.3 CCC(C(=O)N)N TS93870 [2,0,0,0,0,0|2,0,0]=4 449 B6R0.3 CCC(C(=O)N)N TS94086 [2,0,0,0,0,0|2,0,0]=4 450 B6R0.3 CCC(C(=O)O)Br TS12329 [2,0,0,0,0,0|1,0,0]=3 451 B6R0.3 CCC(C(=O)O)Cl TS04940 [2,0,0,0,0,0|1,0,0]=3 452 B6R0.3 CCC(C(=O)O)N TS45781 [2,0,0,0,0,0|1,0,0]=3 453 B6R0.3 CCC(C(=O)O)N TS47470 [2,0,0,0,0,0|1,0,0]=3 454 B6R0.3 CCC(C(=O)O)O TS31670 [2,0,0,0,0,0|1,0,0]=3 455 B6R0.3 CCC(C(=O)[O-])O TS05131 [2,0,0,0,0,0|1,0,1]=4 456 B6R0.3 CCC(C(C)C)O TS03969 [2,0,0,0,0,0|0,0,2]=4 457 B6R0.3 CCC(C)C(=O)C TS31518 [2,0,0,0,0,0|0,0,0]=2 458 B6R0.3 CCC(C)C(=O)Cl TS04836 [2,0,0,0,0,0|1,0,0]=3 459 B6R0.3 CCC(C)C(=O)O TS03945 [2,0,0,0,0,0|0,0,0]=2 460 B6R0.3 CCC(C)C(C)C TS03882 [2,0,0,0,0,0|1,0,1]=4 461 B6R0.3 CCC(C)C(C)O TS03961 [2,0,0,0,0,0|0,0,2]=4 462 B6R0.3 CCC(C)N(C)C TS03924 [2,0,0,0,0,0|2,0,0]=4 463 B6R0.3 CCN(C)C(=O)Cl TS56394 [2,0,0,0,0,0|2,0,0]=4 464 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [2,0,0,0,0,0|1,0,0]=3 465 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [2,0,0,0,0,0|1,0,0]=3 466 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [2,0,0,0,0,0|1,0,0]=3 467 B6R0.3 CC[C@H](C(=O)N)N TS93011 [2,0,0,0,0,0|2,0,0]=4 468 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [2,0,0,0,0,0|1,0,0]=3 469 B6R0.3 CC[C@H](C(=O)O)N TS64880 [2,0,0,0,0,0|1,0,0]=3 470 B6R0.3 CN(C)C(=N)OC TS31601 [2,0,0,0,0,0|2,0,0]=4 471 B6R0.3 CN(C)C(=O)CCl TS55283 [2,0,0,0,0,0|2,0,0]=4 472 B6R0.3 CN(C)C(=O)CN TS00812 [2,0,0,0,0,0|2,0,0]=4 473 B6R0.3 CN(C)C(=O)CN TS40036 [2,0,0,0,0,0|2,0,0]=4 474 B6R0.3 CNC(=O)N(C)C TS31600 [2,0,0,0,0,0|2,0,0]=4 475 B6R0.3 COC(=O)C(Br)Br TS25148 [2,0,0,0,0,0|2,0,0]=4 476 B6R0.3 COC(=O)C(Cl)Br TS50602 [2,0,0,0,0,0|2,0,0]=4 477 B6R0.3 COC(=O)C(Cl)Cl TS06813 [2,0,0,0,0,0|2,0,0]=4 478 B6R0.3 COC(=O)C(F)F TS56318 [2,0,0,0,0,0|2,0,0]=4 479 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [2,0,0,0,0,0|1,0,0]=3 480 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [2,0,0,0,0,0|1,0,0]=3 481 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [2,0,0,0,0,0|1,0,0]=3 482 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [2,0,0,0,0,0|1,0,0]=3 483 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [2,0,0,0,0,0|1,0,0]=3 484 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [2,0,0,0,0,0|1,0,0]=3 485 B6R0.3 C[C@H](C(=O)N)OC TS31644 [2,0,0,0,0,0|2,0,0]=4 486 B6R0.3 C[C@H](C(=O)OC)F TS31728 [2,0,0,0,0,0|1,0,0]=3 487 B6R0.3 C[C@H](C(=O)OC)N TS01765 [2,0,0,0,0,0|1,0,0]=3 488 B6R0.3 C[C@H](C(=O)OC)O TS04018 [2,0,0,0,0,0|1,0,0]=3 489 B6R0.3 C[C@H](CCl)C(=O)Cl TS06547 [2,0,0,0,0,0|2,0,0]=4 490 B6R0.3 C[C@H](CO)C(=O)O TS31672 [2,0,0,0,0,0|1,0,0]=3 491 B8R0.1 CCCCC(C)CCC TS05416 [1,1,0,0,0,0|1,0,1]=4 492 B8R0.1 CCCCC(C)CCO TS05597 [1,1,0,0,0,0|1,0,1]=4 493 B8R0.1 CCCC[C@@H](C)CCO TS36538 [1,1,0,0,0,0|1,0,1]=4 494 B8R0.1 CCOCC(C)OCC TS05764 [1,1,0,0,0,0|0,0,1]=3 495 B8R0.6 CCC(C)CCCCO TS36535 [1,1,0,0,0,0|1,0,1]=4 496 B8R0.6 CCCCCC(C)CC TS05415 [1,1,0,0,0,0|1,0,1]=4 497 B8R0.6 CC[C@H](C)CCCCO TS05594 [1,1,0,0,0,0|1,0,1]=4 498 B8R0.8 CCCCC(C)C(C)C TS05429 [1,1,0,0,0,0|1,0,1]=4 499 B8R0.8 CCCCC(C)C(C)O TS05586 [1,1,0,0,0,0|1,0,1]=4 500 B8R0.9 CCC(C)CCC(C)C TS05428 [1,1,0,0,0,0|1,0,1]=4 501 B8R0.9 CCC(C)CCC(C)O TS36529 [1,1,0,0,0,0|1,0,1]=4 502 B8R0.9 CCC(C)COC(=O)C TS01135 [1,1,0,0,0,0|0,0,2]=4 503 B8R0.11 CCCCC(CC)CBr TS51605 [1,1,0,0,0,0|1,0,1]=4 504 B8R0.11 CCCCC(CC)CBr TS93468 [1,1,0,0,0,0|1,0,1]=4 505 B8R0.11 CCCCC(CC)CC TS05421 [1,1,0,0,0,0|1,0,1]=4 506 B8R0.11 CCCCC(CC)CCl TS07519 [1,1,0,0,0,0|1,0,1]=4 507 B8R0.11 CCCCC(CC)CI TS26462 [1,1,0,0,0,0|1,0,1]=4 508 B8R0.11 CCCCC(CC)CN TS05498 [1,1,0,0,0,0|1,0,1]=4 509 B8R0.11 CCCCC(CC)CN TS12119 [1,1,0,0,0,0|1,0,1]=4 510 B8R0.11 CCCCC(CC)CN TS43752 [1,1,0,0,0,0|1,0,1]=4 511 B8R0.11 CCCCC(CC)CO TS36533 [1,1,0,0,0,0|1,0,1]=4 512 B8R0.11 CCCCC(CC)CS TS40474 [1,1,0,0,0,0|1,0,1]=4 513 B8R0.11 CCCCC(CC)C[O-] TS06071 [1,1,0,0,0,0|1,0,1]=4 514 B8R0.11 [Li]CC(CC)CCCC TS04820 [1,1,0,0,0,0|1,0,1]=4 515 B8R0.19 CCC(C)C=C(C)CC TS36183 [1,1,0,0,0,0|1,0,0]=3 516 B8R0.19 CCC(C)CC(=O)CC TS36340 [1,1,0,0,0,0|1,0,1]=4 517 B8R0.19 CCC(C)CC(C)CC TS05414 [1,1,0,0,0,0|1,0,1]=4 518 B8R0.19 CCC(C)CC(CC)O TS36539 [1,1,0,0,0,0|1,0,1]=4 519 B8R0.19 CCC(C)NC(C)CC TS05494 [1,1,0,0,0,0|2,0,0]=4 520 B8R0.19 CCC(C)OC(C)CC TS36540 [1,1,0,0,0,0|2,0,0]=4 521 B8R0.19 CCC(C)SC(C)CC TS40475 [1,1,0,0,0,0|2,0,0]=4 522 B8R0.25 CCC#CC(C)(CC)O TS05186 [1,1,0,0,0,0|1,0,1]=4 523 B8R0.25 CCCCC(C)(C)CC TS36368 [1,1,0,0,0,0|1,0,1]=4 524 B8R0.25 CCCCC(C)(CC)O TS36532 [1,1,0,0,0,0|1,0,1]=4 525 B8R0.2 CCC(C)C(=O)C(C)C TS05377 [1,1,0,0,0,0|1,0,0]=3 526 B8R0.14 CC(C)(C)C(=O)OC=C TS05340 [1,1,0,0,0,0|0,0,2]=4 527 B8R0.14 CC(C)(C)C(=O)OCCl TS39622 [1,1,0,0,0,0|1,0,0]=3 528 B8R0.14 CC(C)(C)C(=O)OCI TS26785 [1,1,0,0,0,0|1,0,0]=3 529 B8R0.14 CCCC(=O)C(C)(C)C TS05378 [1,1,0,0,0,0|1,0,0]=3 530 B8R0.14 CCOC(=C)[Si](C)(C)C TS07041 [1,1,0,0,0,0|1,1,0]=4 531 B8R0.14 CCOC(=C)[Sn](C)(C)C TS56588 [1,1,0,0,0,0|2,0,0]=4 532 B8R0.14 CCOC(=O)C(C)(C)Br TS55167 [1,1,0,0,0,0|0,0,0]=2 533 B8R0.14 CCOC(=O)C(C)(C)C TS36504 [1,1,0,0,0,0|0,0,0]=2 534 B8R0.14 CCOC(=O)C(C)(C)N TS43281 [1,1,0,0,0,0|0,0,0]=2 535 B8R0.14 CCOC(=O)C(C)(C)O TS36659 [1,1,0,0,0,0|0,0,0]=2 536 B8R0.14 CCOC(=O)C(C)(F)F TS06224 [1,1,0,0,0,0|1,0,0]=3 537 B8R0.14 CCOC(=O)C(Cl)(Cl)Cl TS00286 [1,1,0,0,0,0|2,0,0]=4 538 B8R0.14 CCOC(=O)C(F)(Br)Br TS29977 [1,1,0,0,0,0|2,0,0]=4 539 B8R0.14 CCOC(=O)C(F)(Cl)Cl TS45893 [1,1,0,0,0,0|2,0,0]=4 540 B8R0.14 CCOC(=O)C(F)(F)Br TS77132 [1,1,0,0,0,0|2,0,0]=4 541 B8R0.14 CCOC(=O)C(F)(F)Cl TS59751 [1,1,0,0,0,0|2,0,0]=4 542 B8R0.14 CCOC(=O)C(F)(F)F TS01482 [1,1,0,0,0,0|2,0,0]=4 543 B8R0.14 CCOC(=O)C(F)(F)I TS27978 [1,1,0,0,0,0|2,0,0]=4 544 B8R0.23 CC(C)C(=O)OC(C)C TS05557 [1,1,0,0,0,0|0,0,0]=2 545 B8R0.23 CC(C)CC(=O)C(C)C TS36332 [1,1,0,0,0,0|1,0,0]=3 546 B8R0.23 CC(C)OC(=O)C(=C)C TS05342 [1,1,0,0,0,0|0,0,2]=4 547 B8R0.23 CC(C)OC(=O)C(C)O TS05725 [1,1,0,0,0,0|1,0,0]=3 548 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS12447 [1,1,0,0,0,0|1,0,0]=3 549 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS93955 [1,1,0,0,0,0|1,0,0]=3 550 B8R0.5 CC(C)OC(=O)CC#N TS36220 [1,1,0,0,0,0|1,0,1]=4 551 B8R0.5 CC(C)OC(=O)CCS TS05774 [1,1,0,0,0,0|1,0,0]=3 552 B8R0.5 CC(C)OC(=O)OCCl TS64904 [1,1,0,0,0,0|2,0,0]=4 553 B8R0.5 CCCC(=O)CC(C)C TS05373 [1,1,0,0,0,0|1,0,0]=3 554 B8R0.5 CCCC(=O)OC(C)C TS05550 [1,1,0,0,0,0|0,0,0]=2 555 B8R0.5 CCNC(=O)CC(=O)C TS05458 [1,1,0,0,0,0|1,0,1]=4 556 B8R0.5 CCOC(=O)C=C(C)C TS32816 [1,1,0,0,0,0|0,0,2]=4 557 B8R0.5 CCOC(=O)CC(=O)C TS41089 [1,1,0,0,0,0|0,0,1]=3 558 B8R0.5 CCOC(=O)CC(=O)C TS59779 [1,1,0,0,0,0|0,0,1]=3 559 B8R0.5 CCOC(=O)CC(=O)N TS01462 [1,1,0,0,0,0|1,0,1]=4 560 B8R0.5 CCOC(=O)CC(=O)O TS39886 [1,1,0,0,0,0|1,0,1]=4 561 B8R0.5 CCOC(=O)CC(=S)N TS07360 [1,1,0,0,0,0|1,0,1]=4 562 B8R0.5 CCOC(=O)CC(C)Br TS51949 [1,1,0,0,0,0|0,0,0]=2 563 B8R0.5 CCOC(=O)CC(C)C TS05548 [1,1,0,0,0,0|0,0,0]=2 564 B8R0.5 CCOC(=O)CC(C)N TS32698 [1,1,0,0,0,0|0,0,0]=2 565 B8R0.5 CCOC(=O)CC(C)O TS36658 [1,1,0,0,0,0|0,0,0]=2 566 B8R0.5 CCOC(=O)CN(C)C TS05660 [1,1,0,0,0,0|1,0,0]=3 567 B8R0.5 CCOC(=O)C[C@@H](C)O TS05718 [1,1,0,0,0,0|0,0,0]=2 568 B8R0.5 CCOC(=O)C[N+](=O)[O-] TS01470 [1,1,0,0,0,0|2,0,0]=4 569 B8R0.5 CCOC(=O)C[S+](C)C TS52804 [1,1,0,0,0,0|1,0,0]=3 570 B8R0.5 CCOC(=O)NC(=O)C TS05638 [1,1,0,0,0,0|1,0,1]=4 571 B8R0.5 CCOC(=O)OC(C)Cl TS10246 [1,1,0,0,0,0|1,0,0]=3 572 B8R0.22 CCCC(CCC)C=O TS36347 [1,1,0,0,0,0|1,0,1]=4 573 B8R0.22 CCCN(CCC)C=O TS36421 [1,1,0,0,0,0|2,0,0]=4 574 B8R0.22 CCCN(CCC)N=O TS36520 [1,1,0,0,0,0|2,0,0]=4 575 B8R0.30 CCCS(=O)(=O)CCC TS09956 [1,1,0,0,0,0|2,0,0]=4 576 B8R0.30 CCOP(=O)(N)OCC TS10283 [1,1,0,0,0,0|2,0,0]=4 577 B8R0.30 CCOP(=O)(OCC)Cl TS13251 [1,1,0,0,0,0|2,0,0]=4 578 B8R0.30 CCOP(=O)([O-])OCC TS10381 [1,1,0,0,0,0|2,0,0]=4 579 B8R0.30 CCOS(=O)(=O)OCC TS41385 [1,1,0,0,0,0|2,0,0]=4 580 B8R0.13 CC(C)(CO)C(=O)OC TS36661 [1,1,0,0,0,0|1,0,0]=3 581 B8R0.13 CCC(=O)C(C)(C)CC TS36331 [1,1,0,0,0,0|0,0,0]=2 582 B8R0.13 CCC(C)(C(=O)OC)N TS43282 [1,1,0,0,0,0|0,0,0]=2 583 B8R0.13 CCC(C)C(C)(C)CC TS05426 [1,1,0,0,0,0|1,0,1]=4 584 B8R0.13 CCC(C)C(C)(CC)O TS05601 [1,1,0,0,0,0|0,0,2]=4 585 B8R0.13 CC[C@@](C)(C(=O)OC)N TS12445 [1,1,0,0,0,0|0,0,0]=2 586 B8R0.13 CC[C@](C)(C(=O)OC)N TS12450 [1,1,0,0,0,0|0,0,0]=2 587 B8R0.20 CCC(=O)N(CC)CC TS36430 [1,1,0,0,0,0|1,0,0]=3 588 B8R0.20 CCC(C(=O)OC)SC TS07492 [1,1,0,0,0,0|0,0,0]=2 589 B8R0.20 CCC(CC)C(CC)O TS36553 [1,1,0,0,0,0|0,0,2]=4 590 B8R0.20 CCN(CC)C(=O)CCl TS40799 [1,1,0,0,0,0|2,0,0]=4 591 B8R0.20 CCN(CC)C(=O)CN TS43165 [1,1,0,0,0,0|2,0,0]=4 592 B8R0.20 CCN(CC)C(=O)CO TS36596 [1,1,0,0,0,0|2,0,0]=4 593 B8R0.20 CCN(CC)C(=O)SC TS40577 [1,1,0,0,0,0|1,1,0]=4 594 B8R0.20 COC(=O)C(CBr)CBr TS02304 [1,1,0,0,0,0|1,0,0]=3 595 B8R0.20 COC(C(=O)OC)OC TS05874 [1,1,0,0,0,0|1,0,0]=3 596 B10R0.2 CCCC(=CC(=O)OCC)C TS10724 [0,1,0,0,0,1|0,0,1]=3 597 B10R0.2 CCCC(=O)CC(=O)OCC TS41904 [0,1,0,0,0,1|1,0,1]=4 598 B10R0.2 CCCC(CC(=O)OCC)O TS11265 [0,1,0,0,0,1|1,0,0]=3 599 B10R0.2 CCNC(=CC(=O)OCC)C TS70559 [0,1,0,0,0,1|0,0,1]=3 600 B10R0.2 CCOC(=CC(=O)OCC)C TS41894 [0,1,0,0,0,1|0,0,1]=3 601 B10R0.2 CCOC(=CC(=O)OCC)C TS41908 [0,1,0,0,0,1|0,0,1]=3 602 B10R0.2 CCOC(=CC(=O)OCC)N TS18144 [0,1,0,0,0,1|1,0,1]=4 603 B10R0.2 CCOC(=N)CC(=O)OCC TS64888 [0,1,0,0,0,1|1,0,1]=4 604 B10R0.2 CCOC(=O)CC(=O)COC TS11218 [0,1,0,0,0,1|1,0,1]=4 605 B10R0.2 CCOC(=O)CC(=O)OCC TS42278 [0,1,0,0,0,1|1,0,1]=4 606 B10R0.2 CCOC(=O)CC(=O)OCC TS74525 [0,1,0,0,0,1|1,0,1]=4 607 B10R0.2 CCOC(=O)C[C@@H](CC#N)O TS10839 [0,1,0,0,0,1|1,0,1]=4 608 B10R0.2 CCOC(=O)C[C@H](CC#N)O TS59561 [0,1,0,0,0,1|1,0,1]=4 609 B10R0.2 CCOC(=O)NC(=O)OCC TS42277 [0,1,0,0,0,1|1,0,1]=4 610 B10R0.2 CCOC(=O)OC(=O)OCC TS42398 [0,1,0,0,0,1|1,0,1]=4 611 B10R0.26 CCOC(=O)CC(=O)C(C)Br TS50259 [0,1,0,0,0,1|1,0,1]=4 612 B10R0.26 CCOC(=O)CC(=O)C(C)C TS01457 [0,1,0,0,0,1|1,0,1]=4 613 B10R0.34 CCN(CC)CC(=O)OCC TS11155 [0,1,0,0,0,1|1,0,0]=3 614 B10R0.35 CCC(=O)C(C(=O)OCC)F TS42428 [0,1,0,0,0,1|1,0,1]=4 615 B10R0.35 CCC(C(=O)C(=O)OCC)Br TS23596 [0,1,0,0,0,1|1,0,0]=3 616 B10R0.35 CC[C@H](C)[C@@H](C(=O)OCC)N TS11168 [0,1,0,0,0,1|0,0,0]=2 617 B10R0.44 CCC(C)NC(=O)CC(=O)C TS10870 [0,1,0,0,0,1|1,0,1]=4 618 B10R0.44 CCC(C)OC(=O)CC(=O)C TS41893 [0,1,0,0,0,1|1,0,1]=4 619 B10R0.36 CCOC(=O)C(C(=O)C)(F)F TS12131 [0,2,0,0,0,0|1,0,1]=4 620 B10R0.36 CCOC(=O)C(C)(C)C(=O)C TS60119 [0,2,0,0,0,0|0,0,1]=3 621 B10R0.36 CCOC(=O)C(C)(C)C(=O)Cl TS47625 [0,2,0,0,0,0|1,0,1]=4 622 B10R0.36 CCOC(=O)C(C)(C)C(=O)O TS02740 [0,2,0,0,0,0|1,0,1]=4 623 B10R0.101 CCC(C(=O)C)C(=O)OCC TS32814 [0,2,0,0,0,0|0,0,0]=2 624 B10R0.101 CCC(C(=O)OCC)[N+](=O)[O-] TS42271 [0,2,0,0,0,0|1,0,0]=3 625 B10R0.101 CCOC(=O)C(C#N)C(=O)C TS41490 [0,2,0,0,0,0|0,0,2]=4 626 B10R0.19 CCCCC(=O)C(=O)OCC TS55416 [0,2,0,0,0,0|1,0,1]=4 627 B10R0.19 CCCCC(=O)C(C)CCC TS10768 [0,2,0,0,0,0|1,0,0]=3 628 B10R0.19 CCCCC(C(=O)OCC)Br TS50262 [0,2,0,0,0,0|1,0,0]=3 629 B10R0.19 CCOC(=O)[C@@H](CCSC)N TS44421 [0,2,0,0,0,0|1,0,0]=3 630 B10R0.19 CCOC(=O)[C@H](CCSC)N TS44422 [0,2,0,0,0,0|1,0,0]=3 631 B10R0.21 CCC(CC)C(=O)OCC=C TS10728 [0,2,0,0,0,0|0,0,1]=3 632 B10R0.21 CCCCC(=O)C(CC)CC TS10767 [0,2,0,0,0,0|1,0,0]=3 633 B10R0.21 CCCOC(=O)C(CC)CC TS41946 [0,2,0,0,0,0|0,0,0]=2 634 B10R0.57 CC=C(C)C(=O)OCC(C)C TS41633 [0,2,0,0,0,0|0,0,2]=4 635 B10R0.57 CC=C(C)C(=O)OCC(C)C TS41653 [0,2,0,0,0,0|0,0,2]=4 636 B10R0.57 CCC(C)C(=O)OCC(C)C TS11020 [0,2,0,0,0,0|0,0,0]=2 637 B10R0.83 CCCCCC(=O)C(C)CC TS10757 [0,2,0,0,0,0|1,0,0]=3 638 B10R0.83 CCCCOC(=O)C(=CC)C TS10715 [0,2,0,0,0,0|0,0,2]=4 639 B10R0.83 CCCCOC(=O)C(C)CC TS11025 [0,2,0,0,0,0|0,0,0]=2 640 B10R0.83 CCCCOC(=O)C(CC)Br TS50271 [0,2,0,0,0,0|1,0,0]=3 641 B10R0.33 CCCN(C(=O)OCC)N=O TS42148 [0,2,0,0,0,0|2,0,0]=4 642 B10R0.33 CCOC(=O)C(CC#N)C#N TS85093 [0,2,0,0,0,0|0,0,2]=4 643 B10R0.129 CCCC(C)(C(=O)OCC)N TS11171 [0,2,0,0,0,0|0,0,0]=2 644 B10R0.32 CCOC(=O)C(=O)CC(=O)C TS59537 [0,2,0,0,0,0|1,0,1]=4 645 B10R0.32 CCOC(=O)[C@@H](CC(C)C)N TS53581 [0,2,0,0,0,0|1,0,0]=3 646 B10R0.37 CC(C)(C)OC(=O)[C@H](CO)N TS18514 [0,2,0,0,0,0|2,0,0]=4 647 B10R0.37 CCC(C(=O)OC(C)(C)C)Br TS50266 [0,2,0,0,0,0|1,0,0]=3 648 B10R0.37 CC[C@@H](C(=O)OC(C)(C)C)N TS18150 [0,2,0,0,0,0|1,0,0]=3 649 B10R0.37 CC[C@@H](C(=O)OC(C)(C)C)O TS11273 [0,2,0,0,0,0|1,0,0]=3 650 B10R0.37 CC[C@H](C(=O)OC(C)(C)C)O TS11266 [0,2,0,0,0,0|1,0,0]=3 651 B10R0.37 C[C@@H](C(=O)OC(C)(C)C)NC TS53582 [0,2,0,0,0,0|1,0,0]=3 652 B8R1.2 C1CC(COC1)CBr TS86643 [1,0,0,1,0,0|1,0,1]=4 653 B8R1.2 C1CC(COC1)CN TS46681 [1,0,0,1,0,0|1,0,1]=4 654 B8R1.2 C1CC(COC1)CO TS86137 [1,0,0,1,0,0|1,0,1]=4 655 B8R1.2 CCC1=CCCCC1 TS31842 [1,0,0,1,0,0|1,0,1]=4 656 B8R1.2 CCC1CCCCC1 TS04342 [1,0,0,1,0,0|1,0,1]=4 657 B8R1.2 CCC1CCCCN1 TS04398 [1,0,0,1,0,0|2,0,0]=4 658 B8R1.2 COC1CCCC=C1 TS31935 [1,0,0,1,0,0|2,0,0]=4 659 B8R1.3 C[C@H]1CC[C@@H](CC1)C TS31961 [1,0,0,1,0,0|1,0,1]=4 660 B8R1.3 C[C@H]1CC[C@@H](NC1)C TS04401 [1,0,0,1,0,0|1,0,1]=4 661 B8R1.3 C[C@H]1CC[C@H](CC1)C TS04337 [1,0,0,1,0,0|1,0,1]=4 662 B8R1.5 CC1CCCC=C1C TS31849 [1,0,0,1,0,0|1,0,1]=4 663 B8R1.5 CC1CCCCC1C TS31973 [1,0,0,1,0,0|1,0,1]=4 664 B8R1.5 CC1CCCNC1C TS22984 [1,0,0,1,0,0|2,0,0]=4 665 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [1,0,0,1,0,0|1,0,1]=4 666 B8R1.5 C[C@@H]1COCC[C@@H]1N TS87953 [1,0,0,1,0,0|1,0,1]=4 667 B8R1.5 C[C@@H]1COCC[C@H]1N TS90201 [1,0,0,1,0,0|1,0,1]=4 668 B8R1.22 CC1=CCCCCC1 TS04216 [1,0,0,1,0,0|1,0,1]=4 669 B8R1.22 CC1CCCCCC1 TS04339 [1,0,0,1,0,0|1,0,1]=4 670 B8R1.41 CCC=CC1(CC1)N TS31891 [1,0,0,1,0,0|2,0,0]=4 671 B8R1.50 C[C@H]1[C@@H]([C@@H](CC1)C)C TS04338 [1,0,0,1,0,0|1,0,1]=4 672 B8R1.52 CC1(CCOC1)CN TS90521 [1,0,0,1,0,0|1,0,1]=4 673 B8R1.52 CCC1(CCCC1)C TS04357 [1,0,0,1,0,0|1,0,1]=4 674 B8R1.7 CC(C)C1=CCCC1 TS31848 [1,0,0,1,0,0|2,0,0]=4 675 B8R1.18 CC1CC(=C)C(=O)O1 TS31903 [1,0,0,1,0,0|0,0,2]=4 676 B8R1.18 CC1CC(=O)OC1=O TS32036 [1,0,0,1,0,0|1,0,1]=4 677 B8R1.18 CC1CC(C(=O)O1)Br TS47655 [1,0,0,1,0,0|1,0,0]=3 678 B8R1.19 CC1(CCC=N1=O)C TS32646 [1,0,0,1,0,0|2,0,0]=4 679 B8R1.19 CC1(CCCC1=O)C TS31947 [1,0,0,1,0,0|1,0,0]=3 680 B8R1.19 CC1(CCOC1=O)Br TS47654 [1,0,0,1,0,0|1,0,0]=3 681 B8R1.19 CC1(CCOC1=O)C TS55730 [1,0,0,1,0,0|0,0,0]=2 682 B8R1.37 CCOC(=O)C1CC1 TS32071 [1,0,0,1,0,0|0,0,0]=2 683 B8R1.37 CCOC(=O)C1CO1 TS01910 [1,0,0,1,0,0|1,0,0]=3 684 B8R1.37 CCOC(=O)[C@H]1CO1 TS32189 [1,0,0,1,0,0|1,0,0]=3 685 B8R1.54 CN(C)C(=O)C1CC1 TS32014 [1,0,0,1,0,0|2,0,0]=4 686 B8R1.4 C1CC(=O)OC(=O)C1 TS56168 [1,0,0,1,0,0|1,0,1]=4 687 B8R1.4 C1CNC(=O)CC1N TS02971 [1,0,0,1,0,0|2,0,0]=4 688 B8R1.4 C1CNC(=O)CC1O TS03134 [1,0,0,1,0,0|2,0,0]=4 689 B8R1.4 C1CNC(=O)C[C@@H]1O TS04536 [1,0,0,1,0,0|2,0,0]=4 690 B8R1.4 CC1=CC(=O)CCC1 TS04198 [1,0,0,1,0,0|1,0,1]=4 691 B8R1.4 CC1=CCCC(=O)O1 TS31918 [1,0,0,1,0,0|0,0,2]=4 692 B8R1.4 CC1CC(=O)CCN1 TS59976 [1,0,0,1,0,0|2,0,0]=4 693 B8R1.4 CC1CC(=O)CCO1 TS87534 [1,0,0,1,0,0|2,0,0]=4 694 B8R1.4 CC1CCCC(=C1)C TS48310 [1,0,0,1,0,0|2,0,0]=4 695 B8R1.4 CC1CCCC(=O)O1 TS04447 [1,0,0,1,0,0|0,0,0]=2 696 B8R1.4 CC1CCNC(=N)C1 TS45483 [1,0,0,1,0,0|2,0,0]=4 697 B8R1.4 CC1CCOC(=O)C1 TS32063 [1,0,0,1,0,0|0,0,0]=2 698 B8R1.4 CN1CCCC(=O)C1 TS46998 [1,0,0,1,0,0|2,0,0]=4 699 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [1,0,0,1,0,0|2,0,0]=4 700 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [1,0,0,1,0,0|1,0,0]=3 701 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [1,0,0,1,0,0|0,0,0]=2 702 B8R1.4 C[C@@H]1COCC(=O)N1 TS04524 [1,0,0,1,0,0|2,0,0]=4 703 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [1,0,0,1,0,0|2,0,0]=4 704 B8R1.8 CCCC1=NCCN1 TS04325 [1,0,0,1,0,0|2,0,0]=4 705 B8R1.8 CCOC1CCCO1 TS04591 [1,0,0,1,0,0|0,0,2]=4 706 B8R1.11 C1CC(=O)N(C1)CO TS04519 [1,0,0,1,0,0|2,0,0]=4 707 B8R1.11 CCC1=C(CCC1)C TS04224 [1,0,0,1,0,0|2,0,0]=4 708 B8R1.11 CCC1CCCC1=O TS31928 [1,0,0,1,0,0|1,0,0]=3 709 B8R1.11 CCN1CCCC1=O TS32015 [1,0,0,1,0,0|1,0,0]=3 710 B8R1.39 CC1(CC1)C(=O)OC TS60140 [1,0,0,1,0,0|0,0,0]=2 711 B8R1.39 CC1(CO1)C(=O)OC TS32184 [1,0,0,1,0,0|1,0,0]=3 712 B8R1.39 COC(=O)C1(CC1)Br TS94672 [1,0,0,1,0,0|1,0,0]=3 713 B8R1.39 COC(=O)C1(CC1)N TS04521 [1,0,0,1,0,0|1,0,0]=3 714 B8R1.39 COC(=O)C1(CC1)N TS16680 [1,0,0,1,0,0|1,0,0]=3 715 B10R1.8 CCC1CC(=CC(=O)C1)C TS37224 [0,0,0,1,0,1|1,0,1]=4 716 B10R1.135 CCOC(=O)C1CC1C=O TS06663 [0,0,0,1,0,1|1,0,1]=4 717 B10R1.137 CCOC(=O)C=C1COC1 TS87826 [0,0,0,1,0,1|1,0,1]=4 718 B10R1.139 CCOC(=O)C1CCN1C TS06851 [0,0,0,1,0,1|1,0,0]=3 719 B10R1.34 C([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O TS40592 [0,1,0,1,0,0|2,0,0]=4 720 B10R1.34 C([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O TS94906 [0,1,0,1,0,0|2,0,0]=4 721 B10R1.34 CCC1=C(C(C(=O)O1)O)C TS37562 [0,1,0,1,0,0|1,0,1]=4 722 B10R1.61 CC(C)C1C(=O)NCCN1 TS06735 [0,1,0,1,0,0|2,0,0]=4 723 B10R1.61 CC(C)C1CCCCC1=O TS06491 [0,1,0,1,0,0|1,0,0]=3 724 B10R1.275 CN1CCCC[C@@H](C1=O)N TS06730 [0,1,0,1,0,0|2,0,0]=4 725 B10R1.291 CC(=O)C1(CCOC1=O)C TS06654 [0,1,0,1,0,0|0,0,1]=3 726 B10R1.291 CC(=O)C1(CCOC1=O)Cl TS42527 [0,1,0,1,0,0|1,0,1]=4 727 B10R1.7 C1CCCC(=O)C(CC1)Cl TS11339 [0,1,0,1,0,0|2,0,0]=4 728 B10R1.19 C1CCC(=O)N(CC1)CO TS40089 [0,1,0,1,0,0|2,0,0]=4 729 B10R1.176 CN1CCC(CC1=O)CN TS87165 [0,1,0,1,0,0|2,0,0]=4 730 B10R1.176 CN1CCC(CC1=O)CO TS89046 [0,1,0,1,0,0|2,0,0]=4 731 B10R1.4 C=CCC1CCCCC1=O TS37220 [0,1,0,1,0,0|1,0,1]=4 732 B10R1.4 CCCC1CCCCC1=O TS06512 [0,1,0,1,0,0|1,0,0]=3 733 B10R1.4 CCOC1CCCCC1=O TS06706 [0,1,0,1,0,0|1,0,0]=3 734 B10R1.63 CC1(CCC(=O)OC1=O)C TS37559 [0,1,0,1,0,0|1,0,1]=4 735 B10R1.401 CCOC(=O)C1(CCC1)N TS06862 [0,1,0,1,0,0|0,0,0]=2 736 B10R1.401 CCOC(=O)C1(CCC1)N TS47801 [0,1,0,1,0,0|0,0,0]=2 737 B10R1.405 CCOC(=O)C1(CC1)C#N TS55894 [0,1,0,1,0,0|0,0,1]=3 738 B10R1.405 CCOC(=O)C1(CC1)CN TS40087 [0,1,0,1,0,0|0,0,0]=2 739 B10R1.11 CCCC(=O)C1CCCC1 TS67806 [0,1,0,1,0,0|1,0,0]=3 740 B10R1.11 CCOC(=O)C1CC=CC1 TS32938 [0,1,0,1,0,0|0,0,1]=3 741 B10R1.11 CCOC(=O)C1CCCO1 TS64896 [0,1,0,1,0,0|0,0,0]=2 742 B10R1.11 CCOC(=O)C1CCOC1 TS06948 [0,1,0,1,0,0|0,0,0]=2 743 B10R1.11 CCOC(=O)C1SCCS1 TS47610 [0,1,0,1,0,0|1,0,0]=3 744 B10R1.11 CCOC(=O)[C@@H]1CSCN1 TS18531 [0,1,0,1,0,0|1,0,0]=3 745 B10R1.11 CCOC(=O)[C@H]1CCCN1 TS14482 [0,1,0,1,0,0|0,0,0]=2 746 B10R1.118 CC1C(=O)OC(C(=O)O1)C TS40149 [0,1,0,1,0,0|1,0,1]=4 747 B10R1.118 C[C@@H]1C(=O)O[C@@H](C(=O)O1)C TS40142 [0,1,0,1,0,0|1,0,1]=4 748 B10R1.118 C[C@H]1C(=O)O[C@H](C(=O)O1)C TS06924 [0,1,0,1,0,0|1,0,1]=4 749 B10R1.140 CCOC(=O)C1CC(=O)C1 TS37558 [0,1,0,1,0,0|0,0,1]=3 750 B10R1.140 CCOC(=O)C1CC(C1)O TS85679 [0,1,0,1,0,0|0,0,0]=2 751 B10R2.25 C1CC2CC1C(C2=O)Cl TS07046 [0,0,0,2,0,0|2,0,0]=4 752 B10R2.41 C1CC2CNCC1C2=O TS90612 [0,0,0,2,0,0|2,0,0]=4 753 B10R2.178 C1CC2C(=O)CCC1N2 TS92148 [0,0,0,2,0,0|2,0,0]=4 754 B10R2.7 C1CC2CCNC2=NC1 TS36013 [0,0,0,2,0,0|2,0,0]=4 755 B10R2.15 C1CC12CCNCC2=O TS92164 [0,0,0,2,0,0|2,0,0]=4 756 B10R2.62 C1CC2CCC1C(=O)N2 TS36068 [0,0,0,2,0,0|1,0,0]=3 757 B10R2.62 C1CN2CCC1C(=O)C2 TS36069 [0,0,0,2,0,0|2,0,0]=4 758 B10R2.62 C1CN2CCC1C(=O)C2 TS70713 [0,0,0,2,0,0|2,0,0]=4 759 B10R2.42 C1CC2C1C(=O)OC2=O TS39413 [0,0,0,2,0,0|1,0,1]=4