0 B8R0.2 CC(C(C(=O)O)Br)OC TS53798 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.2 CC(C(C(=O)O)N)SC TS07582 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.2 CCC(C(C(=O)O)N)O TS05812 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.2 CCC(C)C(=O)C(=O)O TS05535 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS41092 [0,0,0,0,0,0|0,0,1]=1 5 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS56035 [0,0,0,0,0,0|0,0,1]=1 6 B8R0.2 CCC(C)C(=O)C(C)C TS05377 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.2 CCC(C)C(C(=O)O)Br TS51945 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.2 CCC(C)C(C(=O)O)N TS05653 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.2 CCC(C)C(C(=O)O)N TS36597 [0,0,0,0,0,0|1,0,1]=2 10 B8R0.2 CCC(C)C(C)C(=O)C TS05380 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N TS05657 [0,0,0,0,0,0|1,0,1]=2 12 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N TS36608 [0,0,0,0,0,0|1,0,1]=2 13 B8R0.2 CC[C@@H]([C@@H](C(=O)O)Br)Br TS68327 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.2 CC[C@@H]([C@@H](C(=O)O)N)O TS05821 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] TS56033 [0,0,0,0,0,0|0,0,1]=1 16 B8R0.2 CC[C@H](C)[C@@H](C(=O)N)N TS43164 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)Cl TS09971 [0,0,0,0,0,0|1,0,1]=2 18 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N TS09198 [0,0,0,0,0,0|1,0,1]=2 19 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N TS01766 [0,0,0,0,0,0|1,0,1]=2 20 B8R0.2 CC[C@H]([C@H](C(=O)O)N)O TS05820 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.2 C[C@@H]([C@@H](C(=O)O)N)OC TS22900 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC TS05815 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.2 C[C@H]([C@H](C(=O)O)N)OC TS05816 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.2 C(C(CN)N)C(=O)O TS32339 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.2 C([C@@H](CN)N)C(=O)O TS08133 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.2 C([C@@H](CO)N)C(=O)O TS32376 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.2 C([C@H](CN)N)C(=O)O TS08078 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.2 C([C@H](CN)O)C(=O)O TS32382 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.2 C([C@H](CO)N)C(=O)O TS74514 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.2 CC(=CC(=O)C)NC TS04388 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.2 CCC(C)CC(=C)C TS04345 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.2 CCC(C)CC(=O)C TS04467 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.2 CCC(C)CC(=O)Cl TS05950 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.2 CCC(C)CC(=O)O TS04597 [1,0,0,0,0,0|0,0,1]=2 35 B7R0.2 CCC(C)CC(C)O TS32253 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.2 CCC(C)NC(=O)N TS04603 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.2 CCC(C)OC(=O)C TS32210 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.2 CCC(C)OC(=O)Cl TS06133 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.2 CCC(CC(=O)O)N TS04672 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.2 CCC(CC(=O)O)O TS32318 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [1,0,0,0,0,0|0,0,1]=2 42 B7R0.2 CC[C@@H](CC(=O)O)N TS32279 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [1,0,0,0,0,0|0,0,1]=2 44 B7R0.2 CC[C@H](CC(=O)O)N TS04666 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.5 C(CBr)C(C(=O)O)Br TS27394 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 C(CBr)[C@@H](C(=O)O)N TS68673 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.5 C(CN)C(C(=O)O)N TS32337 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.5 C(CN)C(C(=O)O)N TS51238 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.5 C(CN)C(C(=O)O)O TS02964 [1,0,0,0,0,0|1,0,2]=4 50 B7R0.5 C(CN)[C@@H](C(=O)O)N TS01514 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.5 C(CN)[C@@H](C(=O)O)N TS54154 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.5 C(CN)[C@@H](C(=O)O)O TS46625 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.5 C(CN)[C@H](C(=O)O)F TS04856 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.5 C(CN)[C@H](C(=O)O)N TS04719 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.5 C(CN)[C@H](C(=O)O)N TS51237 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.5 C(CO)C(C(=O)O)N TS32380 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.5 C(CO)[C@@H](C(=O)O)N TS01524 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.5 C(CO)[C@@H](C(=O)O)N TS59867 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.5 C(CO)[C@@H](C(=O)O)O TS32406 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.5 C(CO)[C@H](C(=O)O)N TS01423 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.5 C(CS)C(C(=O)O)N TS05996 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.5 C(CS)[C@@H](C(=O)O)N TS05998 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.5 C(CS)[C@H](C(=O)O)N TS05994 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.5 CCC=C(C)C(=O)O TS04448 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.5 CCCC(=C(C)C)C TS04362 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.5 CCCC(=O)C(=O)O TS32183 [1,0,0,0,0,0|0,0,0]=1 68 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [1,0,0,0,0,0|0,0,1]=2 69 B7R0.5 CCCC(=O)C(C)C TS32114 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.5 CCCC(=O)N(C)C TS32149 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.5 CCCC(C(=O)Cl)Br TS18873 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.5 CCCC(C(=O)O)Br TS14719 [1,0,0,0,0,0|1,0,1]=3 73 B7R0.5 CCCC(C(=O)O)N TS04663 [1,0,0,0,0,0|1,0,1]=3 74 B7R0.5 CCCC(C(=O)[O-])O TS06422 [1,0,0,0,0,0|0,0,3]=4 75 B7R0.5 CCCC(C)C(=O)C TS04464 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.5 CCCC(C)C(=O)Cl TS05952 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [1,0,0,0,0,0|1,0,1]=3 79 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [1,0,0,0,0,0|1,0,1]=3 80 B7R0.5 CCNC(=O)C(=C)C TS04389 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.5 CCOC(=O)C(=C)Br TS47658 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.5 CCOC(=O)C(=C)C TS00098 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.5 CCOC(=O)C(=O)N TS32272 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.5 CCOC(=O)C(C)O TS04714 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.5 CCOC(=S)C(=O)N TS01481 [1,0,0,0,0,0|2,1,0]=4 90 B7R0.5 CNC[C@@H](C(=O)O)N TS32335 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.5 CNC[C@H](C(=O)O)N TS32332 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.5 COCC(C(=O)O)Cl TS55196 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.5 COCC(C(=O)O)N TS32379 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.5 COC[C@@H](C(=O)O)N TS32377 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.5 COC[C@@H](C(=O)O)N TS41554 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.5 COC[C@H](C(=O)O)N TS59337 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.5 CSC[C@@H](C(=O)O)N TS01687 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.10 C([C@@H](C(=O)NO)N)Cl TS37249 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.10 CC(C(=O)OC)OC TS32317 [1,0,0,0,0,0|3,0,0]=4 100 B7R0.10 CC(C(=O)OC)SC TS05922 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.10 CCC(C(=O)CC)O TS32221 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.10 CCC(C(=O)OC)Br TS65236 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.10 CCC(C(=O)OC)Cl TS06135 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.10 CCC(C(=O)OC)N TS41307 [1,0,0,0,0,0|3,0,0]=4 105 B7R0.10 CCC(C(C)C=O)S TS05778 [1,0,0,0,0,0|2,0,1]=4 106 B7R0.10 CCC(C)C(=C)CC TS04351 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.10 CCC(C)C(=CC)C TS04350 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.10 CCC(C)C(=O)CC TS04477 [1,0,0,0,0,0|1,0,1]=3 109 B7R0.10 CCC(C)C(=O)OC TS04590 [1,0,0,0,0,0|2,0,0]=3 110 B7R0.10 CCC(C)C(=O)SC TS05776 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.10 CCC(C)C(C)C=C TS04364 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.10 CCC(C)C(C)C=O TS04460 [1,0,0,0,0,0|1,0,1]=3 113 B7R0.10 CCC(C)C(C)CO TS32242 [1,0,0,0,0,0|1,0,2]=4 114 B7R0.10 CC[C@@H](C)[C@H](CO)N TS22803 [1,0,0,0,0,0|1,0,2]=4 115 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [1,0,0,0,0,0|3,0,0]=4 118 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.16 C(=O)(C(=O)O)C(=O)O TS04690 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.16 C(=O)(C(=O)O)C(=O)O TS06034 [1,0,0,0,0,0|2,0,1]=4 122 B7R0.16 CC(=C)C(=O)N(C)C TS04392 [1,0,0,0,0,0|3,0,0]=4 123 B7R0.16 CC(C(=O)N(C)C)O TS32283 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.16 CC(C(C(=O)O)Br)Br TS27396 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.16 CC(C(C(=O)O)N)F TS04855 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.16 CC(C(C(=O)O)N)N TS32333 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.16 CC(C(C(=O)O)N)O TS32381 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.16 CC(C)C(=C(C)C)C TS31980 [1,0,0,0,0,0|3,0,0]=4 129 B7R0.16 CC(C)C(=O)C(=O)[O-] TS30827 [1,0,0,0,0,0|0,0,1]=2 130 B7R0.16 CC(C)C(=O)C(C)C TS04472 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.16 CC(C)C(C(=O)Br)Br TS27078 [1,0,0,0,0,0|2,0,1]=4 132 B7R0.16 CC(C)C(C(=O)O)Br TS14725 [1,0,0,0,0,0|1,0,1]=3 133 B7R0.16 CC(C)C(C(=O)O)O TS04712 [1,0,0,0,0,0|0,0,2]=3 134 B7R0.16 CC(C)C(C)C(=O)O TS32220 [1,0,0,0,0,0|1,0,1]=3 135 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41225 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41227 [1,0,0,0,0,0|2,0,1]=4 137 B7R0.16 CC(C)[C@@H](C(=O)O)Br TS08097 [1,0,0,0,0,0|1,0,1]=3 138 B7R0.16 CC(C)[C@@H](C(=O)O)Cl TS37075 [1,0,0,0,0,0|1,0,1]=3 139 B7R0.16 CC(C)[C@@H](C(=O)O)N TS94390 [1,0,0,0,0,0|1,0,1]=3 140 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [1,0,0,0,0,0|0,0,2]=3 141 B7R0.16 CC(C)[C@H](C(=O)O)Br TS14723 [1,0,0,0,0,0|1,0,1]=3 142 B7R0.16 CC(C)[C@H](C(=O)O)Cl TS37074 [1,0,0,0,0,0|1,0,1]=3 143 B7R0.16 CC(C)[C@H](C(=O)O)N TS59535 [1,0,0,0,0,0|1,0,1]=3 144 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)N TS51239 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O TS32386 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.16 C[C@@H]([C@H](C(=O)O)N)N TS51241 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O TS39862 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N TS51240 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O TS74521 [1,0,0,0,0,0|2,0,1]=4 150 B9R0.6 CCCC(C(C(=O)O)N)F TS07562 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.6 CCCC(C)C(=O)C(C)C TS06761 [0,1,0,0,0,0|2,0,1]=4 152 B9R0.6 CCC[C@@H]([C@H](C(=O)O)N)O TS07320 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.6 CCC[C@H]([C@@H](C(=O)O)N)O TS07317 [0,1,0,0,0,0|2,0,1]=4 154 B9R0.6 CCOC(C)C(=O)C(O)O TS07406 [0,1,0,0,0,0|0,0,2]=3 155 B9R0.6 CCO[C@@H](C)[C@@H](C(=O)O)N TS07315 [0,1,0,0,0,0|1,0,1]=3 156 B9R0.27 CCC(C)C(=O)C(C)CC TS06741 [0,1,0,0,0,0|2,0,1]=4 157 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N TS07103 [0,1,0,0,0,0|1,0,1]=3 158 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N TS16615 [0,1,0,0,0,0|1,0,1]=3 159 B9R0.32 CC(C)(C(C(=O)O)Br)OC TS21057 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.32 CC(C)([C@@H](C(=O)O)N)OC TS07322 [0,1,0,0,0,0|2,0,1]=4 161 B9R0.41 CCN(CC)C(=O)C(=C)C TS06603 [0,1,0,0,0,0|3,0,0]=4 162 B9R0.41 CCN(CC)C(=O)S(=O)C TS42614 [0,1,0,0,0,0|3,0,0]=4 163 B9R0.79 CC(C)[C@@H]([C@@H](C(=O)O)N)O TS40512 [0,1,0,0,0,0|2,0,1]=4 164 B9R0.79 CC(C)[C@@H]([C@H](C(=O)O)N)O TS40515 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O TS59849 [0,1,0,0,0,0|2,0,1]=4 166 B9R0.79 CC(C)[C@H]([C@H](C(=O)O)N)O TS07319 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,0,0,1,0,0|1,0,0]=2 168 B9R1.37 CC1C(=C(C(=O)O1)O)C TS36275 [0,0,0,1,0,0|0,0,2]=3 169 B9R1.37 CC1C(=O)CC(=O)C1=O TS05133 [0,0,0,1,0,0|2,0,1]=4 170 B9R1.41 C1CC(=C(C1)N)C(=O)O TS36222 [0,0,0,1,0,0|2,0,1]=4 171 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O TS59460 [0,0,0,1,0,0|2,0,1]=4 172 B9R1.41 C1CN[C@H]([C@H]1O)C(=O)O TS05633 [0,0,0,1,0,0|2,0,1]=4 173 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS36408 [0,0,0,1,0,0|2,0,1]=4 174 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS85102 [0,0,0,1,0,0|2,0,1]=4 175 B9R1.41 CN1CCC[C@H]1C(=O)O TS01601 [0,0,0,1,0,0|2,0,1]=4 176 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O TS46518 [0,0,0,1,0,0|1,0,1]=3 177 B9R1.93 C1[C@@H]([C@]1(C(=O)O)N)CO TS05644 [0,0,0,1,0,0|2,0,1]=4 178 B9R1.110 C1C(CO1)C(C(=O)O)N TS85945 [0,0,0,1,0,0|2,0,1]=4 179 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N TS92709 [0,0,0,1,0,0|2,0,1]=4 180 B9R1.110 C1C(CO1)[C@H](C(=O)O)N TS92093 [0,0,0,1,0,0|2,0,1]=4 181 B9R1.110 C1CC(C1)C(C(=O)O)N TS36394 [0,0,0,1,0,0|1,0,1]=3 182 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N TS36400 [0,0,0,1,0,0|1,0,1]=3 183 B9R1.110 C1CC(C1)[C@H](C(=O)O)N TS36414 [0,0,0,1,0,0|1,0,1]=3 184 B9R1.132 CCC1=C(C(=O)CC1)O TS05152 [0,0,0,1,0,0|1,0,2]=4 185 B9R1.138 CC1CCC(C1=O)(C)C TS05175 [0,0,0,1,0,0|2,0,1]=4 186 B9R0.23 CCC(C)C(=O)OC(C)C TS40221 [0,0,0,0,0,1|2,0,1]=4 187 B9R0.23 CC[C@H](C)[C@@H](CC(=O)O)N TS48155 [0,0,0,0,0,1|1,0,1]=3 188 B9R0.42 CCC(C)CC(C)C(=O)O TS06984 [0,0,0,0,0,1|1,0,1]=3 189 B9R0.42 CCC(C)OC(=O)C(=C)C TS06702 [0,0,0,0,0,1|2,0,0]=3 190 B6R0.1 CC(CC=O)SC TS32354 [2,0,0,0,0,0|1,0,1]=4 191 B6R0.1 CCC(C)C=CC TS03791 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.1 CCC(C)CC=C TS03804 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.1 CCC(C)CC=O TS31513 [2,0,0,0,0,0|0,0,1]=3 194 B6R0.1 CCC(C)CCO TS31615 [2,0,0,0,0,0|0,0,2]=4 195 B6R0.1 CCC(C)ON=O TS31635 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.1 CCC(C=CC)O TS03868 [2,0,0,0,0,0|2,0,0]=4 197 B6R0.1 CCC=C(C)C=O TS03779 [2,0,0,0,0,0|1,0,1]=4 198 B6R0.1 CCCC(=C)C=O TS31425 [2,0,0,0,0,0|1,0,0]=3 199 B6R0.1 CCCC(=CC)C TS31455 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.1 CCCC(=O)CC TS31522 [2,0,0,0,0,0|1,0,1]=4 201 B6R0.1 CCCC(=O)NN TS31598 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.1 CCCC(=O)OC TS03955 [2,0,0,0,0,0|2,0,0]=4 203 B6R0.1 CCCC(C)C=O TS01565 [2,0,0,0,0,0|1,0,1]=4 204 B6R0.1 CCNC(=O)C=C TS03826 [2,0,0,0,0,0|2,0,0]=4 205 B6R0.1 CCOC(=O)C=C TS33216 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.1 CCOC(=O)C=O TS56148 [2,0,0,0,0,0|1,0,0]=3 207 B6R0.1 CCOC(=O)CO TS56147 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.1 CCOC(=O)NO TS04067 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.1 CC[C@H](C)CCO TS31612 [2,0,0,0,0,0|0,0,2]=4 210 B6R0.2 CC(=CC(=O)C)C TS31432 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.2 CC(=CC(=O)Cl)C TS04766 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.2 CC(=CC(=O)O)C TS03839 [2,0,0,0,0,0|0,0,1]=3 213 B6R0.2 CC(C)CC(=O)C TS31526 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.2 CC(C)CC(=O)Cl TS32446 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.2 CC(C)CC(=O)N TS31557 [2,0,0,0,0,0|1,0,1]=4 216 B6R0.2 CC(C)CC(=O)O TS03936 [2,0,0,0,0,0|0,0,1]=3 217 B6R0.2 CC(C)CC(=O)[O-] TS32589 [2,0,0,0,0,0|0,0,2]=4 218 B6R0.2 CC(C)NC(=O)N TS31602 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.2 CC(C)OC(=O)C TS01509 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.2 CC(C)OC(=O)Cl TS59649 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.2 CC(C)OC(=O)N TS03993 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.2 CC(CC(=O)O)Cl TS04943 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.2 CC(CC(=O)O)O TS31666 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.2 CN(C)CC(=O)O TS08905 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.2 CN(C)CC(=O)O TS37315 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [2,0,0,0,0,0|1,0,1]=4 229 B6R0.2 C[C@H](CC(=O)O)N TS00214 [2,0,0,0,0,0|1,0,1]=4 230 B6R0.4 C(C=CC(=O)O)Br TS42842 [2,0,0,0,0,0|1,0,1]=4 231 B6R0.4 C(C=CC(=O)O)O TS31577 [2,0,0,0,0,0|1,0,1]=4 232 B6R0.4 C(CC(=O)O)CBr TS39744 [2,0,0,0,0,0|1,0,1]=4 233 B6R0.4 C(CC(=O)O)CI TS44433 [2,0,0,0,0,0|1,0,1]=4 234 B6R0.4 C(CC(=O)O)CN TS31643 [2,0,0,0,0,0|1,0,1]=4 235 B6R0.4 CCC#CC(=O)O TS03759 [2,0,0,0,0,0|0,0,2]=4 236 B6R0.4 CCC=CC(=O)C TS31424 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.4 CCC=CC(=O)O TS03448 [2,0,0,0,0,0|0,0,1]=3 238 B6R0.4 CCC=CC(=O)O TS31503 [2,0,0,0,0,0|0,0,1]=3 239 B6R0.4 CCCCC(=O)Br TS42846 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.4 CCCCC(=O)C TS31529 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.4 CCCCC(=O)Cl TS32451 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.4 CCCCC(=O)N TS31554 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.4 CCCCC(=O)O TS03958 [2,0,0,0,0,0|0,0,1]=3 244 B6R0.4 CCCCC(=O)[O-] TS04789 [2,0,0,0,0,0|0,0,2]=4 245 B6R0.4 CCCCC(=O)[O-] TS30457 [2,0,0,0,0,0|0,0,2]=4 246 B6R0.4 CCCC[Sn](=O)O TS43570 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.4 CCCNC(=O)N TS31594 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.4 CCCNC(=O)[O-] TS31634 [2,0,0,0,0,0|1,0,1]=4 249 B6R0.4 CCCOC(=O)C TS03949 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.4 CCCOC(=O)Cl TS55808 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.4 CCCSC(=O)C TS32364 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.4 CCCSC(=O)Cl TS06329 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.4 CCNCC(=O)O TS01936 [2,0,0,0,0,0|1,0,1]=4 254 B6R0.4 CCOCC(=O)O TS16814 [2,0,0,0,0,0|1,0,1]=4 255 B6R0.4 CCSCC(=O)O TS04822 [2,0,0,0,0,0|1,0,1]=4 256 B6R0.4 CNCCC(=O)O TS03990 [2,0,0,0,0,0|1,0,1]=4 257 B6R0.4 COCCC(=O)O TS31660 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.3 B(C(C)CC)(O)O TS85136 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [2,0,0,0,0,0|1,0,0]=3 260 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [2,0,0,0,0,0|1,0,1]=4 262 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [2,0,0,0,0,0|1,0,1]=4 263 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [2,0,0,0,0,0|1,0,1]=4 264 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [2,0,0,0,0,0|2,0,0]=4 266 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.3 C(C(C(=O)O)N)F TS31750 [2,0,0,0,0,0|2,0,0]=4 268 B6R0.3 C(C(C(=O)O)N)N TS15412 [2,0,0,0,0,0|2,0,0]=4 269 B6R0.3 C(C(C(=O)O)N)N TS55876 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.3 C(C(C(=O)O)N)O TS04070 [2,0,0,0,0,0|2,0,0]=4 271 B6R0.3 C(C(C(=O)O)N)O TS93662 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.3 C(C(C(=O)O)O)N TS55880 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.3 C(C(C(=O)O)O)O TS31726 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [2,0,0,0,0,0|2,0,0]=4 277 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.3 C=C(CBr)C(=O)O TS42841 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.3 CC(=O)C(=O)OC TS31579 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.3 CC(C(=O)C)SC TS32356 [2,0,0,0,0,0|1,0,1]=4 292 B6R0.3 CC(C(=O)O)NC TS31640 [2,0,0,0,0,0|1,0,0]=3 293 B6R0.3 CC(C)C(=NO)N TS31597 [2,0,0,0,0,0|2,0,0]=4 294 B6R0.3 CC(C)C(=O)CBr TS00029 [2,0,0,0,0,0|1,0,1]=4 295 B6R0.3 CC(C)C(=O)NN TS31595 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.3 CC(C)C(=O)NN TS66305 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.3 CC(C)C(=O)NO TS03991 [2,0,0,0,0,0|1,0,0]=3 298 B6R0.3 CC(C)C(=O)OC TS03944 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [2,0,0,0,0,0|2,0,0]=4 300 B6R0.3 CC(C=C)C(=O)O TS03843 [2,0,0,0,0,0|0,0,2]=4 301 B6R0.3 CC(CN)C(=O)O TS04859 [2,0,0,0,0,0|1,0,0]=3 302 B6R0.3 CC(CN)C(=O)O TS31641 [2,0,0,0,0,0|1,0,0]=3 303 B6R0.3 CC(CO)C(=O)C TS03953 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.3 CC(CS)C(=O)O TS04823 [2,0,0,0,0,0|1,0,0]=3 305 B6R0.3 CC=C(C)C(=O)O TS03838 [2,0,0,0,0,0|0,0,2]=4 306 B6R0.3 CC=C(C)C(=O)O TS03840 [2,0,0,0,0,0|0,0,2]=4 307 B6R0.3 CC=C(C)C(C)C TS03807 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.3 CC=C(C)C(C)C TS31450 [2,0,0,0,0,0|2,0,0]=4 309 B6R0.3 CCC(=O)C(=O)C TS03844 [2,0,0,0,0,0|1,0,0]=3 310 B6R0.3 CCC(=O)C(=O)O TS31578 [2,0,0,0,0,0|0,0,0]=2 311 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [2,0,0,0,0,0|0,0,1]=3 312 B6R0.3 CCC(=O)C(C)C TS31520 [2,0,0,0,0,0|1,0,1]=4 313 B6R0.3 CCC(C(=C)C)O TS31517 [2,0,0,0,0,0|2,0,0]=4 314 B6R0.3 CCC(C(=O)Br)Br TS52915 [2,0,0,0,0,0|2,0,0]=4 315 B6R0.3 CCC(C(=O)C)S TS32355 [2,0,0,0,0,0|1,0,1]=4 316 B6R0.3 CCC(C(=O)Cl)Br TS48787 [2,0,0,0,0,0|2,0,0]=4 317 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [2,0,0,0,0,0|2,0,0]=4 318 B6R0.3 CCC(C(=O)N)Cl TS04875 [2,0,0,0,0,0|2,0,0]=4 319 B6R0.3 CCC(C(=O)N)N TS93870 [2,0,0,0,0,0|2,0,0]=4 320 B6R0.3 CCC(C(=O)N)N TS94086 [2,0,0,0,0,0|2,0,0]=4 321 B6R0.3 CCC(C(=O)O)Br TS12329 [2,0,0,0,0,0|1,0,0]=3 322 B6R0.3 CCC(C(=O)O)Cl TS04940 [2,0,0,0,0,0|1,0,0]=3 323 B6R0.3 CCC(C(=O)O)N TS45781 [2,0,0,0,0,0|1,0,0]=3 324 B6R0.3 CCC(C(=O)O)N TS47470 [2,0,0,0,0,0|1,0,0]=3 325 B6R0.3 CCC(C(=O)O)O TS31670 [2,0,0,0,0,0|1,0,0]=3 326 B6R0.3 CCC(C(=O)[O-])O TS05131 [2,0,0,0,0,0|1,0,1]=4 327 B6R0.3 CCC(C)C(=O)C TS31518 [2,0,0,0,0,0|0,0,1]=3 328 B6R0.3 CCC(C)C(=O)Cl TS04836 [2,0,0,0,0,0|1,0,0]=3 329 B6R0.3 CCC(C)C(=O)O TS03945 [2,0,0,0,0,0|0,0,0]=2 330 B6R0.3 CCC(C)C(C)O TS03961 [2,0,0,0,0,0|1,0,1]=4 331 B6R0.3 CCN(C)C(=O)Cl TS56394 [2,0,0,0,0,0|2,0,0]=4 332 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [2,0,0,0,0,0|1,0,0]=3 333 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [2,0,0,0,0,0|1,0,0]=3 334 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.3 CC[C@H](C(=O)N)N TS93011 [2,0,0,0,0,0|2,0,0]=4 336 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [2,0,0,0,0,0|1,0,0]=3 337 B6R0.3 CC[C@H](C(=O)O)N TS64880 [2,0,0,0,0,0|1,0,0]=3 338 B6R0.3 CN(C)C(=O)C=C TS03821 [2,0,0,0,0,0|2,0,0]=4 339 B6R0.3 COC(=O)C(=O)Cl TS34587 [2,0,0,0,0,0|2,0,0]=4 340 B6R0.3 COC(=O)C(=O)N TS31629 [2,0,0,0,0,0|2,0,0]=4 341 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [2,0,0,0,0,0|1,0,0]=3 342 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [2,0,0,0,0,0|1,0,0]=3 343 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [2,0,0,0,0,0|1,0,0]=3 344 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [2,0,0,0,0,0|1,0,0]=3 345 B6R0.3 C[C@H](C(=O)N)OC TS31644 [2,0,0,0,0,0|2,0,0]=4 346 B6R0.3 C[C@H](CCl)C(=O)Cl TS06547 [2,0,0,0,0,0|2,0,0]=4 347 B6R0.3 C[C@H](CO)C(=O)O TS31672 [2,0,0,0,0,0|1,0,0]=3 348 B8R0.5 CC(COC)OC(=O)C TS05714 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.5 CCCC(=CC(=O)O)C TS36312 [1,1,0,0,0,0|0,0,1]=3 350 B8R0.5 CCCC(C)CC(=O)C TS05394 [1,1,0,0,0,0|1,0,1]=4 351 B8R0.5 CCCC(C)CC(=O)O TS05545 [1,1,0,0,0,0|0,0,1]=3 352 B8R0.5 CCCC(C)OC(=O)C TS05542 [1,1,0,0,0,0|2,0,0]=4 353 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [1,1,0,0,0,0|0,0,1]=3 354 B8R0.5 CCNC(=CC(=O)C)C TS05283 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.19 CC(=CC(=O)OC)NC TS36410 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.19 CCC(C)C=C(C)CC TS36183 [1,1,0,0,0,0|2,0,0]=4 357 B8R0.19 CCC(C)CC(=O)CC TS36340 [1,1,0,0,0,0|1,0,1]=4 358 B8R0.19 CCC(C)CC(=O)OC TS36498 [1,1,0,0,0,0|0,0,1]=3 359 B8R0.19 CCC(C)NC(=O)CCl TS40798 [1,1,0,0,0,0|2,0,0]=4 360 B8R0.19 CC[C@@H](CC(=O)OC)O TS64924 [1,1,0,0,0,0|1,0,1]=4 361 B8R0.19 CC[C@H](CC(=O)OC)O TS05724 [1,1,0,0,0,0|1,0,1]=4 362 B8R0.23 CC(C)C(CC(=O)O)N TS36592 [1,1,0,0,0,0|1,0,1]=4 363 B8R0.23 CC(C)[C@@H](CC(=O)O)N TS36595 [1,1,0,0,0,0|1,0,1]=4 364 B8R0.23 CC(C)[C@H](CC(=O)O)N TS36600 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.23 CC(CC(=O)O)C(=O)C TS05531 [1,1,0,0,0,0|0,0,2]=4 366 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O TS45051 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.34 CCC(C)(C)NC(=O)N TS05573 [1,1,0,0,0,0|2,0,0]=4 368 B8R0.34 CCC(C)(C)OC(=O)C TS05562 [1,1,0,0,0,0|2,0,0]=4 369 B8R0.34 CCC(C)(CC(=O)O)O TS05719 [1,1,0,0,0,0|0,0,1]=3 370 B8R0.3 CCCC(C(=O)OC)Br TS93475 [1,1,0,0,0,0|1,0,1]=4 371 B8R0.3 CCCC(C)C(=O)OC TS05547 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [1,1,0,0,0,0|1,0,1]=4 373 B8R0.3 CCOC(=O)C(=C)CO TS08483 [1,1,0,0,0,0|2,0,0]=4 374 B8R0.3 CCOC(=O)C(=NO)Cl TS55909 [1,1,0,0,0,0|2,0,0]=4 375 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [1,1,0,0,0,0|2,0,0]=4 376 B8R0.8 C(CC(C(=O)O)N)CN TS12622 [1,1,0,0,0,0|1,0,1]=4 377 B8R0.8 C(CC(C(=O)O)N)CN TS21454 [1,1,0,0,0,0|1,0,1]=4 378 B8R0.8 C(CC(C(=O)O)N)CN TS38757 [1,1,0,0,0,0|1,0,1]=4 379 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS07674 [1,1,0,0,0,0|1,0,1]=4 380 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS36671 [1,1,0,0,0,0|1,0,1]=4 381 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS51453 [1,1,0,0,0,0|1,0,1]=4 382 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS74512 [1,1,0,0,0,0|1,0,1]=4 383 B8R0.8 C(C[C@H](C(=O)O)N)CN TS12623 [1,1,0,0,0,0|1,0,1]=4 384 B8R0.8 CCCC=C(C)C(=O)O TS36301 [1,1,0,0,0,0|1,0,0]=3 385 B8R0.8 CCCCC(=O)C(=O)C TS05337 [1,1,0,0,0,0|1,0,0]=3 386 B8R0.8 CCCCC(=O)C(=O)[O-] TS41093 [1,1,0,0,0,0|0,0,1]=3 387 B8R0.8 CCCCC(C(=O)O)Br TS51947 [1,1,0,0,0,0|1,0,1]=4 388 B8R0.8 CCCCC(C(=O)O)N TS05663 [1,1,0,0,0,0|1,0,1]=4 389 B8R0.8 CCCCC(C(=O)O)O TS05717 [1,1,0,0,0,0|0,0,2]=4 390 B8R0.8 CCCCC(C)C(=O)O TS05567 [1,1,0,0,0,0|1,0,1]=4 391 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [1,1,0,0,0,0|1,0,1]=4 392 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.8 CCCOC(=O)C(=C)C TS36313 [1,1,0,0,0,0|2,0,0]=4 394 B8R0.8 CCCOC(=O)C(=O)C TS40210 [1,1,0,0,0,0|1,0,0]=3 395 B8R0.8 CCCOC(=O)C(C)O TS05710 [1,1,0,0,0,0|1,0,1]=4 396 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [1,1,0,0,0,0|1,0,1]=4 397 B8R0.8 CCSC[C@@H](C(=O)O)N TS07588 [1,1,0,0,0,0|1,0,1]=4 398 B8R0.8 CSCCC(=O)C(=O)[O-] TS12781 [1,1,0,0,0,0|0,0,1]=3 399 B8R0.8 CSCCC(C(=O)O)N TS37819 [1,1,0,0,0,0|1,0,1]=4 400 B8R0.8 CSCCC(C(=O)O)N TS61974 [1,1,0,0,0,0|1,0,1]=4 401 B8R0.8 CSCCC(C(=O)O)O TS65052 [1,1,0,0,0,0|0,0,2]=4 402 B8R0.8 CSCC[C@@H](C(=O)O)N TS07583 [1,1,0,0,0,0|1,0,1]=4 403 B8R0.8 CSCC[C@@H](C(=O)O)N TS09902 [1,1,0,0,0,0|1,0,1]=4 404 B8R0.8 CSCC[C@@H](C(=O)O)N TS35372 [1,1,0,0,0,0|1,0,1]=4 405 B8R0.8 CSCC[C@@H](C(=O)O)N TS93972 [1,1,0,0,0,0|1,0,1]=4 406 B8R0.8 C[Se]CCC(C(=O)O)N TS53596 [1,1,0,0,0,0|1,0,1]=4 407 B8R0.8 C[Se]CCC(C(=O)O)N TS93321 [1,1,0,0,0,0|1,0,1]=4 408 B8R0.8 C[Se]CC[C@@H](C(=O)O)N TS64910 [1,1,0,0,0,0|1,0,1]=4 409 B8R0.12 CCCC(C)(C(=O)O)N TS36607 [1,1,0,0,0,0|1,0,1]=4 410 B8R0.12 CCC[C@](C)(C(=O)O)N TS05655 [1,1,0,0,0,0|1,0,1]=4 411 B8R0.15 CCC[C@@H](C(=O)O)NC TS36587 [1,1,0,0,0,0|1,0,1]=4 412 B8R0.15 CCC[C@@H](CO)C(=O)O TS36660 [1,1,0,0,0,0|0,0,2]=4 413 B8R0.13 CC(C)(CCl)C(=O)NO TS41062 [1,1,0,0,0,0|2,0,0]=4 414 B8R0.13 CCC(=O)C(C)(C)CC TS36331 [1,1,0,0,0,0|1,0,1]=4 415 B8R0.13 CCC(C)(C(=O)OC)N TS43282 [1,1,0,0,0,0|2,0,0]=4 416 B8R0.13 CC[C@@](C)(C(=O)OC)N TS12445 [1,1,0,0,0,0|2,0,0]=4 417 B8R0.13 CC[C@](C)(C(=O)OC)N TS12450 [1,1,0,0,0,0|2,0,0]=4 418 B8R0.20 CCC(C(=O)OC)SC TS07492 [1,1,0,0,0,0|2,0,0]=4 419 B8R0.20 CCN(CC)C(=O)C=C TS05285 [1,1,0,0,0,0|2,0,0]=4 420 B8R0.20 CCN(CC)C(=O)CO TS36596 [1,1,0,0,0,0|1,0,1]=4 421 B8R0.18 CC(C)C(C(=O)O)NC TS43283 [1,1,0,0,0,0|1,0,1]=4 422 B8R0.18 CC(C)[C@@H](C(=O)[O-])N=O TS06219 [1,1,0,0,0,0|0,0,2]=4 423 B8R0.27 C(=O)(C(=O)O)C(F)(F)F TS42105 [1,1,0,0,0,0|2,0,0]=4 424 B8R0.27 CC(C(=O)O)C(C)(C)C TS05541 [1,1,0,0,0,0|1,0,1]=4 425 B8R0.27 CC(C)(C(C(=O)O)N)F TS05984 [1,1,0,0,0,0|1,0,1]=4 426 B8R0.27 CC(C)(C(C(=O)O)N)O TS05818 [1,1,0,0,0,0|1,0,1]=4 427 B8R0.27 CC(C)(C(C(=O)O)N)S TS07587 [1,1,0,0,0,0|1,0,1]=4 428 B8R0.27 CC(C)(C)C(=O)C(=O)O TS05518 [1,1,0,0,0,0|0,0,0]=2 429 B8R0.27 CC(C)(C)C(C(=O)O)N TS36606 [1,1,0,0,0,0|1,0,1]=4 430 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TS12451 [1,1,0,0,0,0|1,0,1]=4 431 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TS56213 [1,1,0,0,0,0|1,0,1]=4 432 B8R0.27 CC(C)(C)[C@@H](C(=O)O)O TS08012 [1,1,0,0,0,0|0,0,2]=4 433 B8R0.27 CC(C)(C)[C@H](C(=O)O)O TS08088 [1,1,0,0,0,0|0,0,2]=4 434 B8R0.27 CC(C)([C@@H](C(=O)O)N)O TS08122 [1,1,0,0,0,0|1,0,1]=4 435 B8R0.27 CC(C)([C@@H](C(=O)O)N)S TS07586 [1,1,0,0,0,0|1,0,1]=4 436 B8R0.27 CC(C)([C@H](C(=O)O)N)O TS46604 [1,1,0,0,0,0|1,0,1]=4 437 B8R0.27 CC(C)([C@H](C(=O)O)N)S TS15540 [1,1,0,0,0,0|1,0,1]=4 438 B8R0.27 CC(C)([C@H](C(=O)O)N)S TS59992 [1,1,0,0,0,0|1,0,1]=4 439 B8R0.37 CC(C)C(C)(C(=O)O)N TS36603 [1,1,0,0,0,0|1,0,1]=4 440 B8R0.37 CC(C)[C@@](C)(C(=O)O)N TS08011 [1,1,0,0,0,0|1,0,1]=4 441 B10R0.13 CC(C)C(C(=O)NC(=O)N)Br TS23599 [0,1,0,0,0,1|2,0,0]=4 442 B10R0.144 CCC(=CC)C(=O)NC(=O)N TS10685 [0,1,0,0,0,1|1,0,1]=4 443 B10R0.144 CCC(=CC)C(=O)NC(=O)N TS41608 [0,1,0,0,0,1|1,0,1]=4 444 B10R0.144 CCN(CC)C(=O)CC(=O)C TS10878 [0,1,0,0,0,1|2,0,0]=4 445 B10R0.67 CCC(C)(C)OC(=O)C(=C)C TS41650 [0,1,0,0,0,1|2,0,0]=4 446 B10R0.72 CCN(CC)CC(=C)C(=O)O TS41793 [0,1,0,0,0,1|2,0,0]=4 447 B10R0.35 CCC(C(=O)C(=O)OCC)Br TS23596 [0,2,0,0,0,0|1,0,0]=3 448 B10R0.35 CC[C@H](C)[C@@H](C(=O)OCC)N TS11168 [0,2,0,0,0,0|1,0,1]=4 449 B10R0.118 CCC(C)C(C(=O)O)C(=O)O TS42124 [0,2,0,0,0,0|0,0,1]=3 450 B8R1.1 C1C(OC(=O)O1)CO TS04697 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.1 CCC1CCC(=O)C1 TS31941 [1,0,0,1,0,0|1,0,1]=4 452 B8R1.1 CCC1CCC(=O)O1 TS04438 [1,0,0,1,0,0|2,0,0]=4 453 B8R1.1 COC1=CC(=O)OC1 TS32039 [1,0,0,1,0,0|1,0,1]=4 454 B8R1.4 CC1=CC(=O)CCC1 TS04198 [1,0,0,1,0,0|1,0,1]=4 455 B8R1.4 CC1CCCC(=C1)C TS48310 [1,0,0,1,0,0|2,0,0]=4 456 B8R1.4 CC1CCCC(=O)O1 TS04447 [1,0,0,1,0,0|2,0,0]=4 457 B8R1.4 CC1CCOC(=O)C1 TS32063 [1,0,0,1,0,0|0,0,1]=3 458 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [1,0,0,1,0,0|1,0,1]=4 459 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [1,0,0,1,0,0|2,0,0]=4 460 B8R1.18 CC1=CC(=O)OC1O TS32042 [1,0,0,1,0,0|1,0,1]=4 461 B8R1.18 CC1CC(=O)CC1C TS31939 [1,0,0,1,0,0|1,0,1]=4 462 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C TS04316 [1,0,0,1,0,0|1,0,1]=4 463 B8R1.34 C1C(CN1)CC(=O)O TS87434 [1,0,0,1,0,0|1,0,1]=4 464 B8R1.34 C1C(CO1)CC(=O)O TS86855 [1,0,0,1,0,0|1,0,1]=4 465 B8R1.34 C1CC(C1)CC(=O)O TS32065 [1,0,0,1,0,0|0,0,1]=3 466 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [1,0,0,1,0,0|1,0,0]=3 467 B8R1.5 C1CCC(=O)C(C1)O TS32072 [1,0,0,1,0,0|1,0,1]=4 468 B8R1.5 C1CNC(=O)C(=O)N1 TS32054 [1,0,0,1,0,0|2,0,0]=4 469 B8R1.5 CC1=CCCCC1=O TS31839 [1,0,0,1,0,0|2,0,0]=4 470 B8R1.7 C1CC(NC1)C(=O)O TS04527 [1,0,0,1,0,0|1,0,1]=4 471 B8R1.7 C1CC(OC1)C(=O)O TS65650 [1,0,0,1,0,0|0,0,2]=4 472 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [1,0,0,1,0,0|1,0,0]=3 473 B8R1.7 C1CCC(C1)C(=O)O TS55824 [1,0,0,1,0,0|1,0,1]=4 474 B8R1.7 C1COC=C1C(=O)O TS32035 [1,0,0,1,0,0|2,0,0]=4 475 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [1,0,0,1,0,0|1,0,1]=4 476 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [1,0,0,1,0,0|1,0,1]=4 477 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [1,0,0,1,0,0|0,0,2]=4 478 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [1,0,0,1,0,0|1,0,1]=4 479 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [1,0,0,1,0,0|0,0,2]=4 480 B8R1.7 CC(=O)C1=CCCC1 TS31835 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.23 CC1CC(C1)C(=O)O TS88279 [1,0,0,1,0,0|1,0,1]=4 482 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O TS89006 [1,0,0,1,0,0|1,0,1]=4 483 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O TS89005 [1,0,0,1,0,0|1,0,1]=4 484 B8R1.54 C1CC1C(C(=O)O)N TS04522 [1,0,0,1,0,0|1,0,1]=4 485 B8R1.54 C1CC1[C@@H](C(=O)O)N TS01520 [1,0,0,1,0,0|1,0,1]=4 486 B8R1.54 C1CC1[C@H](C(=O)O)N TS04532 [1,0,0,1,0,0|1,0,1]=4 487 B8R1.78 C1CC(C1)(C(=O)O)N TS91061 [1,0,0,1,0,0|1,0,1]=4 488 B8R1.78 C1CC(C1)(C(=O)O)N TS93561 [1,0,0,1,0,0|1,0,1]=4 489 B8R1.78 C1CC(C1)(C(=O)O)N TS93562 [1,0,0,1,0,0|1,0,1]=4 490 B8R1.78 CC1(CCC1)C(=O)O TS85793 [1,0,0,1,0,0|1,0,1]=4 491 B8R1.11 CCC1CCCC1=O TS31928 [1,0,0,1,0,0|1,0,1]=4 492 B8R1.38 C1CC(C1)C(=O)NN TS90294 [1,0,0,1,0,0|2,0,0]=4 493 B8R1.38 COC(=O)C1CCC1 TS32060 [1,0,0,1,0,0|2,0,0]=4 494 B8R1.39 CC1(CC1)C(=O)OC TS60140 [1,0,0,1,0,0|2,0,0]=4 495 B8R1.50 C1CN(C(=O)C1N)O TS04570 [1,0,0,1,0,0|2,0,0]=4 496 B8R1.50 C1CN(C(=O)[C@@H]1N)O TS32200 [1,0,0,1,0,0|2,0,0]=4 497 B8R1.50 C1CN(C(=O)[C@H]1N)O TS32193 [1,0,0,1,0,0|2,0,0]=4 498 B8R1.50 CC1=C(C(=O)CC1)Br TS13616 [1,0,0,1,0,0|1,0,1]=4 499 B8R1.50 CC1CCC(=C1C)C TS31847 [1,0,0,1,0,0|2,0,0]=4 500 B8R1.50 CC1CCC(=O)N1C TS04391 [1,0,0,1,0,0|2,0,0]=4 501 B8R1.77 CC1(CC1C(=O)O)C TS47118 [1,0,0,1,0,0|1,0,1]=4 502 B8R1.77 CC1(C[C@@H]1C(=O)O)C TS16627 [1,0,0,1,0,0|1,0,1]=4 503 B10R1.25 CCC1CNC(=O)CC1=O TS86308 [0,0,0,1,0,1|1,0,0]=3 504 B10R1.475 CCC1(C(=O)NC(=O)N1)C TS06667 [0,0,0,1,0,1|1,0,0]=3 505 B10R1.113 CC1CCCC(N1)C(=O)O TS39361 [0,0,0,1,0,1|1,0,1]=4 506 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O TS94421 [0,0,0,1,0,1|1,0,1]=4 507 B10R1.204 C1CC(C1)CC(C(=O)O)N TS40084 [0,0,0,1,0,1|1,0,1]=4 508 B10R1.204 C1CC(C1)C[C@H](C(=O)O)N TS06869 [0,0,0,1,0,1|1,0,1]=4 509 B10R1.23 C1CCC(C1)C(C(=O)O)N TS06856 [0,1,0,1,0,0|1,0,1]=4 510 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N TS01519 [0,1,0,1,0,0|1,0,1]=4 511 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N TS06852 [0,1,0,1,0,0|1,0,1]=4 512 B10R1.34 CCC1C(=O)C(=C(O1)C)O TS06659 [0,1,0,1,0,0|2,0,0]=4 513 B10R1.2 CCN1CCNC(=O)C1=O TS16309 [0,1,0,1,0,0|2,0,0]=4 514 B10R2.25 C=C1C2CCC(C2)C1=O TS04898 [0,0,0,2,0,0|2,0,0]=4 515 B10R2.355 C1C2C1C(NC2)C(=O)O TS65883 [0,0,0,2,0,0|1,0,1]=4 516 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O TS89200 [0,0,0,2,0,0|1,0,1]=4 517 B8R0.9 CCC(C)CCC(=O)C TS05381 [1,0,0,0,0,1|1,0,1]=4 518 B8R0.9 CCC(C)CCC(=O)O TS36505 [1,0,0,0,0,1|0,0,1]=3 519 B8R0.9 CCC(C)COC(=O)C TS01135 [1,0,0,0,0,1|1,0,1]=4 520 B10R0.44 CCC(C)NC(=O)CC(=O)C TS10870 [0,0,0,0,0,2|1,0,0]=3 521 B10R0.44 CCC(C)OC(=O)CC(=O)C TS41893 [0,0,0,0,0,2|1,0,0]=3 522 B10R0.57 C([C@@H](C(=O)NCC(=O)O)N)O TS11502 [0,0,0,0,0,2|2,0,0]=4 523 B10R0.57 C([C@@H](C(=O)NCC(=O)O)N)S TS18255 [0,0,0,0,0,2|2,0,0]=4 524 B10R0.57 CC=C(C)C(=O)NCC(=O)O TS10845 [0,0,0,0,0,2|0,0,2]=4 525 B10R0.82 CCC(C)COC(=O)C(=C)C TS41651 [0,0,0,0,0,2|2,0,0]=4