0 B7R0.16 C(=C(Cl)Cl)(C(=O)O)Cl TS13745 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 C(=O)(C(=O)O)C(=O)O TS04690 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 C(=O)(C(=O)O)C(=O)O TS06034 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.16 C(=O)(C(=O)[O-])C(=O)[O-] TS11468 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.16 C(=O)(C(=O)[O-])C(=O)[O-] TS60844 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.16 CC(=C(N(C)C)Cl)C TS05850 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.16 CC(=C)C(=O)N(C)C TS04392 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.16 CC(C(=O)C(C)Br)Br TS27079 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.16 CC(C(=O)N(C)C)Br TS14492 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.16 CC(C(=O)N(C)C)O TS32283 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.16 CC(C(C(=O)O)Br)Br TS27396 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.16 CC(C(C(=O)O)N)F TS04855 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.16 CC(C(C(=O)O)N)N TS32333 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.16 CC(C(C(=O)O)N)O TS32381 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.16 CC(C)C(=C(C)C)C TS31980 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.16 CC(C)C(=O)C(=O)[O-] TS30827 [0,0,0,0,0,0|0,0,1]=1 16 B7R0.16 CC(C)C(=O)C(C)C TS04472 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.16 CC(C)C(C(=C)C)O TS32111 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.16 CC(C)C(C(=O)Br)Br TS27078 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.16 CC(C)C(C(=O)O)Br TS14725 [0,0,0,0,0,0|1,0,1]=2 20 B7R0.16 CC(C)C(C(=O)O)O TS04712 [0,0,0,0,0,0|0,0,2]=2 21 B7R0.16 CC(C)C(C)C(=O)O TS32220 [0,0,0,0,0,0|1,0,1]=2 22 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41225 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41227 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.16 CC(C)[C@@H](C(=O)O)Br TS08097 [0,0,0,0,0,0|1,0,1]=2 25 B7R0.16 CC(C)[C@@H](C(=O)O)Cl TS37075 [0,0,0,0,0,0|1,0,1]=2 26 B7R0.16 CC(C)[C@@H](C(=O)O)N TS94390 [0,0,0,0,0,0|1,0,1]=2 27 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [0,0,0,0,0,0|0,0,2]=2 28 B7R0.16 CC(C)[C@H](C(=O)O)Br TS14723 [0,0,0,0,0,0|1,0,1]=2 29 B7R0.16 CC(C)[C@H](C(=O)O)Cl TS37074 [0,0,0,0,0,0|1,0,1]=2 30 B7R0.16 CC(C)[C@H](C(=O)O)N TS59535 [0,0,0,0,0,0|1,0,1]=2 31 B7R0.16 CN(C)C(=O)N(C)C TS32852 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)N TS51239 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O TS32386 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.16 C[C@@H]([C@H](C(=O)O)N)N TS51241 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O TS39862 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O TS41461 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N TS51240 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O TS74521 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.2 B(C=C(C)C)(O)O TS31479 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.2 B(CC(C)C)(O)O TS01505 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.2 CC(=CC(=C)C)C TS03733 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.2 CC(=CC(=O)C)C TS31432 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.2 CC(=CC(=O)C)N TS03815 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.2 CC(=CC(=O)C)[O-] TS06421 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.2 CC(=CC(=O)C)[O-] TS31723 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.2 CC(=CC(=O)Cl)C TS04766 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.2 CC(=CC(=O)O)C TS03839 [1,0,0,0,0,0|0,0,1]=2 48 B6R0.2 CC(=O)CC(=O)O TS31585 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.2 CC(=O)CN(C)C TS31555 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.2 CC(C)CC(=C)C TS31451 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.2 CC(C)CC(=O)C TS31526 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.2 CC(C)CC(=O)Cl TS32446 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.2 CC(C)CC(=O)N TS31557 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.2 CC(C)CC(=O)O TS03936 [1,0,0,0,0,0|0,0,1]=2 55 B6R0.2 CC(C)CC(=O)[O-] TS32589 [1,0,0,0,0,0|0,0,2]=3 56 B6R0.2 CC(C)CC(C)O TS31610 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.2 CC(C)NC(=O)N TS31602 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.2 CC(C)OC(=O)C TS01509 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.2 CC(C)OC(=O)Cl TS59649 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.2 CC(C)OC(=O)N TS03993 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.2 CC(C)O[N+](=O)[O-] TS04064 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.2 CC(C=C(C)C)O TS03862 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.2 CC(CC(=O)O)Cl TS04943 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.2 CC(CC(=O)O)O TS31666 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.2 CC(CC(=O)[O-])O TS94900 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.2 CC(OC(=O)Cl)Cl TS46935 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.2 CN(C)CC(=O)O TS08905 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.2 CN(C)CC(=O)O TS37315 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.2 CN(C)CC(=O)[O-] TS36048 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.2 CN(C)CC(=O)[O-] TS37510 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.2 C[C@@H](CC(=O)[O-])O TS05129 [1,0,0,0,0,0|1,0,2]=4 75 B6R0.2 C[C@H](CC(=O)O)N TS00214 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.2 C[C@H](CC(=O)[O-])O TS05130 [1,0,0,0,0,0|1,0,2]=4 77 B6R0.3 C(=O)(C(=O)NN)N TS31631 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.3 C(C(C(=O)O)N)F TS31750 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.3 C(C(C(=O)O)N)N TS15412 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.3 C(C(C(=O)O)N)N TS55876 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.3 C(C(C(=O)O)N)O TS04070 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.3 C(C(C(=O)O)N)O TS93662 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.3 C(C(C(=O)O)O)N TS55880 [1,0,0,0,0,0|1,0,2]=4 93 B6R0.3 C(C(C(=O)O)O)O TS31726 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [1,0,0,0,0,0|1,0,2]=4 101 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [1,0,0,0,0,0|1,0,2]=4 102 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.3 C=C(CBr)C(=O)O TS42841 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.3 CC(=C)C(=O)NC TS03820 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.3 CC(=C)C(=O)OC TS31500 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.3 CC(=O)C(=O)OC TS31579 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.3 CC(C(=O)NN)O TS04020 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.3 CC(C(=O)O)NC TS31640 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.3 CC(C(=O)OC)Br TS12330 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.3 CC(C(=O)OC)Br TS93879 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.3 CC(C(=O)OC)Cl TS04944 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.3 CC(C(=O)OC)N TS55725 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.3 CC(C(=O)OC)O TS31661 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.3 CC(C)C(=N)OC TS37144 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.3 CC(C)C(=NO)N TS31597 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.3 CC(C)C(=O)CBr TS00029 [1,0,0,0,0,0|1,0,1]=3 122 B6R0.3 CC(C)C(=O)NN TS31595 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.3 CC(C)C(=O)NN TS66305 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.3 CC(C)C(=O)NO TS03991 [1,0,0,0,0,0|1,0,0]=2 125 B6R0.3 CC(C)C(=O)OC TS03944 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.3 CC(C)C(C)C=C TS03806 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.3 CC(C)C(C=C)O TS31528 [1,0,0,0,0,0|1,0,2]=4 129 B6R0.3 CC(C)C(CO)S TS32435 [1,0,0,0,0,0|0,1,2]=4 130 B6R0.3 CC(C)[C@@H](CO)N TS56215 [1,0,0,0,0,0|1,0,2]=4 131 B6R0.3 CC(C)[C@H](CO)N TS08466 [1,0,0,0,0,0|1,0,2]=4 132 B6R0.3 CC(CN)C(=O)O TS04859 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.3 CC(CN)C(=O)O TS31641 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.3 CC(CS)C(=O)O TS04823 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.3 CC=C(C)C(=O)C TS31447 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.3 CC=C(C)C(=O)Cl TS04767 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.3 CC=C(C)C(=O)O TS03838 [1,0,0,0,0,0|1,0,1]=3 138 B6R0.3 CC=C(C)C(=O)O TS03840 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.3 CC=C(C)C(C)C TS03807 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.3 CC=C(C)C(C)C TS31450 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.3 CCC(=C(F)F)F TS04180 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.3 CCC(=C)C(C)C TS03792 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.3 CCC(=O)C(=O)C TS03844 [1,0,0,0,0,0|1,0,0]=2 144 B6R0.3 CCC(=O)C(=O)O TS31578 [1,0,0,0,0,0|0,0,0]=1 145 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [1,0,0,0,0,0|0,0,1]=2 146 B6R0.3 CCC(=O)C(C)C TS31520 [1,0,0,0,0,0|1,0,1]=3 147 B6R0.3 CCC(=O)N(C)C TS31553 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.3 CCC(C(=O)Br)Br TS52915 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.3 CCC(C(=O)C)S TS32355 [1,0,0,0,0,0|1,1,1]=4 150 B6R0.3 CCC(C(=O)Cl)Br TS48787 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.3 CCC(C(=O)N)Cl TS04875 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.3 CCC(C(=O)N)N TS93870 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.3 CCC(C(=O)N)N TS94086 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.3 CCC(C(=O)O)Br TS12329 [1,0,0,0,0,0|1,0,1]=3 156 B6R0.3 CCC(C(=O)O)Cl TS04940 [1,0,0,0,0,0|1,0,1]=3 157 B6R0.3 CCC(C(=O)O)N TS45781 [1,0,0,0,0,0|1,0,1]=3 158 B6R0.3 CCC(C(=O)O)N TS47470 [1,0,0,0,0,0|1,0,1]=3 159 B6R0.3 CCC(C(=O)O)O TS31670 [1,0,0,0,0,0|0,0,2]=3 160 B6R0.3 CCC(C(=O)[O-])O TS05131 [1,0,0,0,0,0|0,0,3]=4 161 B6R0.3 CCC(C)C(=O)C TS31518 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.3 CCC(C)C(=O)Cl TS04836 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.3 CCC(C)C(=O)O TS03945 [1,0,0,0,0,0|1,0,1]=3 164 B6R0.3 CCN(C)C(=O)Cl TS56394 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [1,0,0,0,0,0|1,0,1]=3 166 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [1,0,0,0,0,0|1,0,1]=3 167 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [1,0,0,0,0,0|0,0,2]=3 168 B6R0.3 CC[C@H](C(=O)N)N TS93011 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [1,0,0,0,0,0|1,0,1]=3 170 B6R0.3 CC[C@H](C(=O)O)N TS64880 [1,0,0,0,0,0|1,0,1]=3 171 B6R0.3 CN(C)C(=O)C=C TS03821 [1,0,0,0,0,0|2,0,0]=3 172 B6R0.3 CN(C)C(=O)CCl TS55283 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.3 CN(C)C(=O)CN TS00812 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.3 CN(C)C(=O)CN TS40036 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.3 CNC(=O)N(C)C TS31600 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.3 COC(=O)C(=C)F TS31658 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.3 COC(=O)C(=O)Cl TS34587 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.3 COC(=O)C(=O)N TS31629 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.3 C[C@H](C(=O)OC)F TS31728 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.3 C[C@H](C(=O)OC)N TS01765 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.3 C[C@H](C(=O)OC)O TS04018 [1,0,0,0,0,0|2,0,1]=4 188 B6R0.3 C[C@H](CO)C(=O)O TS31672 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.2 CC(C(C(=O)O)Br)OC TS53798 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.2 CC(C(C(=O)O)N)SC TS07582 [0,1,0,0,0,0|1,0,1]=3 191 B8R0.2 CC(C(C(=O)OC)N)O TS45054 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.2 CC(C)C(C(=O)OC)Br TS59793 [0,1,0,0,0,0|1,0,1]=3 193 B8R0.2 CC(C)C(C(=O)OC)N TS12449 [0,1,0,0,0,0|1,0,1]=3 194 B8R0.2 CC(C)[C@@H](C(=O)OC)N TS94392 [0,1,0,0,0,0|1,0,1]=3 195 B8R0.2 CC(C)[C@H](C(=O)OC)N TS59536 [0,1,0,0,0,0|1,0,1]=3 196 B8R0.2 CCC(C(C(=O)O)N)O TS05812 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.2 CCC(C)C(=O)C(=O)O TS05535 [0,1,0,0,0,0|0,0,0]=1 198 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS41092 [0,1,0,0,0,0|0,0,1]=2 199 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS56035 [0,1,0,0,0,0|0,0,1]=2 200 B8R0.2 CCC(C)C(=O)C(C)C TS05377 [0,1,0,0,0,0|2,0,1]=4 201 B8R0.2 CCC(C)C(C(=O)O)Br TS51945 [0,1,0,0,0,0|1,0,1]=3 202 B8R0.2 CCC(C)C(C(=O)O)N TS05653 [0,1,0,0,0,0|1,0,1]=3 203 B8R0.2 CCC(C)C(C(=O)O)N TS36597 [0,1,0,0,0,0|1,0,1]=3 204 B8R0.2 CCC(C)C(C)C(=O)C TS05380 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N TS05657 [0,1,0,0,0,0|1,0,1]=3 206 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N TS36608 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.2 CC[C@@H]([C@@H](C(=O)O)Br)Br TS68327 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.2 CC[C@@H]([C@@H](C(=O)O)N)O TS05821 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] TS56033 [0,1,0,0,0,0|0,0,1]=2 210 B8R0.2 CC[C@H](C)[C@@H](C(=O)N)N TS43164 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)Cl TS09971 [0,1,0,0,0,0|1,0,1]=3 212 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N TS09198 [0,1,0,0,0,0|1,0,1]=3 213 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N TS01766 [0,1,0,0,0,0|1,0,1]=3 214 B8R0.2 CC[C@H]([C@H](C(=O)O)N)O TS05820 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.2 C[C@@H]([C@@H](C(=O)O)N)OC TS22900 [0,1,0,0,0,0|1,0,1]=3 216 B8R0.2 C[C@@H]([C@@H](C(=O)OC)N)O TS45052 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.2 C[C@@H]([C@H](C(=O)OC)N)O TS45050 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC TS05815 [0,1,0,0,0,0|1,0,1]=3 219 B8R0.2 C[C@H]([C@H](C(=O)O)N)OC TS05816 [0,1,0,0,0,0|1,0,1]=3 220 B8R0.18 CC(C)C(C(=O)O)NC TS43283 [0,1,0,0,0,0|1,0,1]=3 221 B8R0.18 CC(C)[C@@H](C(=O)[O-])N=O TS06219 [0,1,0,0,0,0|0,0,2]=3 222 B8R0.18 C[C@H]([C@@H](C(=O)O)NC)O TS36744 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.27 C(=O)(C(=O)O)C(F)(F)F TS42105 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.27 C=C(C(=O)O)C(F)(F)F TS47098 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.27 CC(C(=O)O)C(C)(C)C TS05541 [0,1,0,0,0,0|1,0,1]=3 226 B8R0.27 CC(C)(C(C(=O)O)N)F TS05984 [0,1,0,0,0,0|1,0,1]=3 227 B8R0.27 CC(C)(C(C(=O)O)N)O TS05818 [0,1,0,0,0,0|1,0,1]=3 228 B8R0.27 CC(C)(C(C(=O)O)N)S TS07587 [0,1,0,0,0,0|1,0,1]=3 229 B8R0.27 CC(C)(C)C(=O)C(=O)O TS05518 [0,1,0,0,0,0|0,0,0]=1 230 B8R0.27 CC(C)(C)C(=O)C(Br)Br TS68067 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.27 CC(C)(C)C(=O)C(Cl)Cl TS44962 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.27 CC(C)(C)C(=O)N(C)C TS36424 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.27 CC(C)(C)C(C(=O)O)N TS36606 [0,1,0,0,0,0|1,0,1]=3 234 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TS12451 [0,1,0,0,0,0|1,0,1]=3 235 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TS56213 [0,1,0,0,0,0|1,0,1]=3 236 B8R0.27 CC(C)(C)[C@@H](C(=O)O)O TS08012 [0,1,0,0,0,0|0,0,2]=3 237 B8R0.27 CC(C)(C)[C@H](C(=O)O)O TS08088 [0,1,0,0,0,0|0,0,2]=3 238 B8R0.27 CC(C)([C@@H](C(=O)O)N)O TS08122 [0,1,0,0,0,0|1,0,1]=3 239 B8R0.27 CC(C)([C@@H](C(=O)O)N)S TS07586 [0,1,0,0,0,0|1,0,1]=3 240 B8R0.27 CC(C)([C@H](C(=O)O)N)O TS46604 [0,1,0,0,0,0|1,0,1]=3 241 B8R0.27 CC(C)([C@H](C(=O)O)N)S TS15540 [0,1,0,0,0,0|1,0,1]=3 242 B8R0.27 CC(C)([C@H](C(=O)O)N)S TS59992 [0,1,0,0,0,0|1,0,1]=3 243 B8R0.27 CC(C)C(=O)C(C)(C)C TS36330 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.27 CC(C)C(N)P(=O)(O)O TS10284 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.37 CC(C)C(C)(C(=O)N)N TS47346 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.37 CC(C)C(C)(C(=O)O)N TS36603 [0,1,0,0,0,0|1,0,1]=3 247 B8R0.37 CC(C)[C@@](C)(C(=O)O)N TS08011 [0,1,0,0,0,0|1,0,1]=3 248 B8R0.37 CC(C)[C@](C)(C(=O)N)N TS36527 [0,1,0,0,0,0|2,0,1]=4 249 B8R1.50 C1CN(C(=O)C1N)O TS04570 [0,0,0,1,0,0|3,0,0]=4 250 B8R1.50 C1CN(C(=O)[C@@H]1N)O TS32200 [0,0,0,1,0,0|3,0,0]=4 251 B8R1.50 C1CN(C(=O)[C@H]1N)O TS32193 [0,0,0,1,0,0|3,0,0]=4 252 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O TS04694 [0,0,0,1,0,0|1,0,2]=4 253 B8R1.50 CC1=C(C(=O)CC1)Br TS13616 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.50 CC1CCC(=C1C)C TS31847 [0,0,0,1,0,0|3,0,0]=4 255 B8R1.50 CC1CCC(=O)N1C TS04391 [0,0,0,1,0,0|3,0,0]=4 256 B8R1.54 C1CC1C(C(=O)O)N TS04522 [0,0,0,1,0,0|1,0,1]=3 257 B8R1.54 C1CC1[C@@H](C(=O)O)N TS01520 [0,0,0,1,0,0|1,0,1]=3 258 B8R1.54 C1CC1[C@H](C(=O)O)N TS04532 [0,0,0,1,0,0|1,0,1]=3 259 B8R1.54 CN(C)C(=O)C1CC1 TS32014 [0,0,0,1,0,0|3,0,0]=4 260 B8R1.77 CC1(CC1C(=O)O)C TS47118 [0,0,0,1,0,0|1,0,1]=3 261 B8R1.77 CC1(C[C@@H]1C(=O)N)C TS94076 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.77 CC1(C[C@@H]1C(=O)O)C TS16627 [0,0,0,1,0,0|1,0,1]=3 263 B8R0.23 C(=O)(C(=O)O)NC(=O)N TS05697 [0,0,0,0,0,1|2,0,1]=4 264 B8R0.23 C(C(=O)C(=O)O)C(=O)O TS05694 [0,0,0,0,0,1|2,0,1]=4 265 B8R0.23 CC(=O)CC(=O)C(F)F TS06039 [0,0,0,0,0,1|3,0,0]=4 266 B8R0.23 CC(=O)CC(=O)N(C)C TS36402 [0,0,0,0,0,1|2,0,0]=3 267 B8R0.23 CC(=O)NC(=C)C(=O)O TS05433 [0,0,0,0,0,1|2,0,1]=4 268 B8R0.23 CC(C)C(=O)OC(C)C TS05557 [0,0,0,0,0,1|2,0,1]=4 269 B8R0.23 CC(C)C(CC(=O)O)N TS36592 [0,0,0,0,0,1|1,0,1]=3 270 B8R0.23 CC(C)C(OC(=O)Cl)Cl TS12955 [0,0,0,0,0,1|2,0,1]=4 271 B8R0.23 CC(C)C=C(C)C(=O)O TS36308 [0,0,0,0,0,1|1,0,0]=2 272 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [0,0,0,0,0,1|1,0,0]=2 273 B8R0.23 CC(C)CC(=O)C(=O)O TS05517 [0,0,0,0,0,1|0,0,0]=1 274 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS41088 [0,0,0,0,0,1|0,0,1]=2 275 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS56034 [0,0,0,0,0,1|0,0,1]=2 276 B8R0.23 CC(C)CC(=O)C(C)C TS36332 [0,0,0,0,0,1|2,0,1]=4 277 B8R0.23 CC(C)CC(C(=O)N)N TS43163 [0,0,0,0,0,1|2,0,1]=4 278 B8R0.23 CC(C)CC(C(=O)O)Br TS51948 [0,0,0,0,0,1|1,0,1]=3 279 B8R0.23 CC(C)CC(C(=O)O)N TS36599 [0,0,0,0,0,1|1,0,1]=3 280 B8R0.23 CC(C)CC(C(=O)O)N TS36676 [0,0,0,0,0,1|1,0,1]=3 281 B8R0.23 CC(C)CC(C(=O)O)O TS05722 [0,0,0,0,0,1|0,0,2]=3 282 B8R0.23 CC(C)CC(C)C(=O)O TS36502 [0,0,0,0,0,1|1,0,1]=3 283 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS36522 [0,0,0,0,0,1|2,0,1]=4 284 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS43161 [0,0,0,0,0,1|2,0,1]=4 285 B8R0.23 CC(C)C[C@@H](C(=O)O)Br TS17994 [0,0,0,0,0,1|1,0,1]=3 286 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl TS09969 [0,0,0,0,0,1|1,0,1]=3 287 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS01527 [0,0,0,0,0,1|1,0,1]=3 288 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS18946 [0,0,0,0,0,1|1,0,1]=3 289 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS36675 [0,0,0,0,0,1|1,0,1]=3 290 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS93953 [0,0,0,0,0,1|1,0,1]=3 291 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS05731 [0,0,0,0,0,1|0,0,2]=3 292 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS94480 [0,0,0,0,0,1|0,0,2]=3 293 B8R0.23 CC(C)C[C@H](C(=O)N)N TS43166 [0,0,0,0,0,1|2,0,1]=4 294 B8R0.23 CC(C)C[C@H](C(=O)O)N TS59534 [0,0,0,0,0,1|1,0,1]=3 295 B8R0.23 CC(C)NC(=O)C(=C)C TS05277 [0,0,0,0,0,1|2,0,0]=3 296 B8R0.23 CC(C)OC(=O)C(=C)C TS05342 [0,0,0,0,0,1|2,0,0]=3 297 B8R0.23 CC(C)OC(=O)C(C)O TS05725 [0,0,0,0,0,1|1,0,1]=3 298 B8R0.23 CC(C)[C@@H](CC(=O)O)N TS36595 [0,0,0,0,0,1|1,0,1]=3 299 B8R0.23 CC(C)[C@H](CC(=O)O)N TS36600 [0,0,0,0,0,1|1,0,1]=3 300 B8R0.23 CN(C)C[C@@H](C(=O)O)N TS36673 [0,0,0,0,0,1|2,0,1]=4 301 B8R0.23 CN(C)C[C@H](C(=O)O)N TS36670 [0,0,0,0,0,1|2,0,1]=4 302 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS12447 [0,0,0,0,0,1|2,0,1]=4 303 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS93955 [0,0,0,0,0,1|2,0,1]=4 304 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O TS45051 [0,0,0,0,0,1|2,0,1]=4 305 B5R0.1 C(=CCl)C(=O)O TS31733 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.1 C(=CCl)C(=O)O TS59459 [2,0,0,0,0,0|1,0,1]=4 307 B5R0.1 C(=CI)C(=O)O TS53940 [2,0,0,0,0,0|1,0,1]=4 308 B5R0.1 C(CBr)C(=O)O TS09493 [2,0,0,0,0,0|1,0,1]=4 309 B5R0.1 C(CCl)C(=O)O TS04159 [2,0,0,0,0,0|1,0,1]=4 310 B5R0.1 C(CI)C(=O)O TS18918 [2,0,0,0,0,0|1,0,1]=4 311 B5R0.1 C(CN)C(=O)O TS02667 [2,0,0,0,0,0|1,0,1]=4 312 B5R0.1 C(CO)C(=O)O TS16373 [2,0,0,0,0,0|1,0,1]=4 313 B5R0.1 C(CS)C(=O)O TS04091 [2,0,0,0,0,0|1,0,1]=4 314 B5R0.1 CC#CC(=O)O TS55183 [2,0,0,0,0,0|0,0,2]=4 315 B5R0.1 CC(=CC=C)C TS03470 [2,0,0,0,0,0|1,0,1]=4 316 B5R0.1 CC(=CC=O)C TS03497 [2,0,0,0,0,0|0,0,1]=3 317 B5R0.1 CC(=CCO)C TS71763 [2,0,0,0,0,0|0,0,2]=4 318 B5R0.1 CC(C)CC=O TS71746 [2,0,0,0,0,0|0,0,1]=3 319 B5R0.1 CC(C)CCO TS71804 [2,0,0,0,0,0|0,0,2]=4 320 B5R0.1 CC(C)N=C=O TS71736 [2,0,0,0,0,0|1,0,1]=4 321 B5R0.1 CC(C)OC=C TS03534 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.1 CC(C)OC=O TS03580 [2,0,0,0,0,0|1,0,0]=3 323 B5R0.1 CC(C)ON=O TS71823 [2,0,0,0,0,0|2,0,0]=4 324 B5R0.1 CC(CC=O)O TS03574 [2,0,0,0,0,0|1,0,1]=4 325 B5R0.1 CC=CC(=O)C TS03499 [2,0,0,0,0,0|1,0,1]=4 326 B5R0.1 CC=CC(=O)Cl TS04051 [2,0,0,0,0,0|1,0,1]=4 327 B5R0.1 CC=CC(=O)N TS03508 [2,0,0,0,0,0|1,0,1]=4 328 B5R0.1 CC=CC(=O)O TS03526 [2,0,0,0,0,0|0,0,1]=3 329 B5R0.1 CC=CC(=O)[O-] TS05036 [2,0,0,0,0,0|0,0,2]=4 330 B5R0.1 CC=CC(C)C TS71719 [2,0,0,0,0,0|1,0,0]=3 331 B5R0.1 CC=CC(C)O TS71747 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.1 CCC=C(C)C TS71718 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.1 CCC=C(F)F TS03652 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.1 CCCC(=O)Br TS40964 [2,0,0,0,0,0|1,0,1]=4 335 B5R0.1 CCCC(=O)C TS71754 [2,0,0,0,0,0|1,0,1]=4 336 B5R0.1 CCCC(=O)Cl TS16539 [2,0,0,0,0,0|1,0,1]=4 337 B5R0.1 CCCC(=O)N TS03561 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.1 CCCC(=O)O TS03572 [2,0,0,0,0,0|0,0,1]=3 339 B5R0.1 CCCC(=O)O TS63934 [2,0,0,0,0,0|0,0,1]=3 340 B5R0.1 CCCC(=O)[O-] TS04184 [2,0,0,0,0,0|0,0,2]=4 341 B5R0.1 CCCC(=O)[O-] TS04232 [2,0,0,0,0,0|0,0,2]=4 342 B5R0.1 CCCC(=O)[O-] TS44539 [2,0,0,0,0,0|0,0,2]=4 343 B5R0.1 CCCC(=S)O TS04825 [2,0,0,0,0,0|0,1,1]=4 344 B5R0.1 CCNC(=O)C TS03563 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.1 CCNC(=O)N TS03591 [2,0,0,0,0,0|2,0,0]=4 346 B5R0.1 CCOC(=O)C TS03585 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.1 CCOC(=O)C TS03625 [2,0,0,0,0,0|2,0,0]=4 348 B5R0.1 CCOC(=O)C TS71827 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.1 CCOC(=O)Cl TS56143 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.1 CCOC(=O)N TS59479 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.1 CNCC(=O)O TS34582 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.1 CNCC(=O)O TS36080 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.1 COCC(=O)O TS03620 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.3 C(C(=O)CO)O TS46803 [2,0,0,0,0,0|1,0,1]=4 355 B5R0.3 C=CC(=O)CBr TS00417 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.3 CC=C(C)C=O TS03488 [2,0,0,0,0,0|1,0,1]=4 357 B5R0.3 CC=C(C=O)Cl TS04052 [2,0,0,0,0,0|1,0,1]=4 358 B5R0.3 CCC(=C)C=C TS71686 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.3 CCC(=NO)C TS03558 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.3 CCC(=O)C=C TS03496 [2,0,0,0,0,0|1,0,0]=3 361 B5R0.3 CCC(=O)C=O TS03524 [2,0,0,0,0,0|0,0,0]=2 362 B5R0.3 CCC(=O)CBr TS00020 [2,0,0,0,0,0|1,0,1]=4 363 B5R0.3 CCC(=O)CC TS00240 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.3 CCC(=O)CCl TS31736 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.3 CCC(=O)CO TS05538 [2,0,0,0,0,0|0,0,1]=3 366 B5R0.3 CCC(=O)NC TS03562 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.3 CCC(=O)NN TS03589 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.3 CCC(=O)OC TS03587 [2,0,0,0,0,0|2,0,0]=4 369 B5R0.3 CCC(C)C=O TS03536 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.3 COC(=O)C=C TS03529 [2,0,0,0,0,0|2,0,0]=4 371 B5R0.3 COC(=O)C=O TS65230 [2,0,0,0,0,0|1,0,0]=3 372 B5R0.3 COC(=O)CO TS03617 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.5 B(C(C)C)(O)O TS56191 [2,0,0,0,0,0|1,0,1]=4 374 B5R0.5 C(=O)(C(=O)Cl)Cl TS39922 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.5 C(=O)(C(=O)F)F TS71886 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.5 C(=O)(C(=O)N)N TS03568 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.5 C(=O)(C(=O)O)N TS01624 [2,0,0,0,0,0|1,0,0]=3 378 B5R0.5 C(=O)(C(=O)O)O TS03614 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.5 C(=O)(C(=O)O)O TS07631 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.5 C(=O)(C(=O)O)O TS11826 [2,0,0,0,0,0|1,0,0]=3 381 B5R0.5 C(=O)(C(=O)O)O TS40816 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.5 C(=O)(C(=O)O)O TS63351 [2,0,0,0,0,0|1,0,0]=3 383 B5R0.5 C(=O)(C(=O)[O-])N TS04229 [2,0,0,0,0,0|1,0,1]=4 384 B5R0.5 C(=O)(C(=O)[O-])N TS36215 [2,0,0,0,0,0|1,0,1]=4 385 B5R0.5 C(=O)(C(=O)[O-])O TS05512 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.5 C(=O)(C(=O)[O-])O TS36266 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05006 [2,0,0,0,0,0|1,0,1]=4 388 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05857 [2,0,0,0,0,0|1,0,1]=4 389 B5R0.5 C(=O)(C(=O)[O-])[O-] TS06648 [2,0,0,0,0,0|1,0,1]=4 390 B5R0.5 C(=O)(C(=O)[O-])[O-] TS13762 [2,0,0,0,0,0|1,0,1]=4 391 B5R0.5 C(=O)(C(=O)[O-])[O-] TS14333 [2,0,0,0,0,0|1,0,1]=4 392 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15086 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15286 [2,0,0,0,0,0|1,0,1]=4 394 B5R0.5 C(=O)(C(=O)[O-])[O-] TS17741 [2,0,0,0,0,0|1,0,1]=4 395 B5R0.5 C(=O)(C(=O)[O-])[O-] TS20296 [2,0,0,0,0,0|1,0,1]=4 396 B5R0.5 C(=O)(C(=O)[O-])[O-] TS24300 [2,0,0,0,0,0|1,0,1]=4 397 B5R0.5 C(=O)(C(=O)[O-])[O-] TS31568 [2,0,0,0,0,0|1,0,1]=4 398 B5R0.5 C(=O)(C(=O)[O-])[O-] TS35772 [2,0,0,0,0,0|1,0,1]=4 399 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72048 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72503 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.5 C(=O)(C(=O)[O-])[O-] TS73371 [2,0,0,0,0,0|1,0,1]=4 402 B5R0.5 C(=O)(C(=O)[O-])[O-] TS74979 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75113 [2,0,0,0,0,0|1,0,1]=4 404 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75293 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75342 [2,0,0,0,0,0|1,0,1]=4 406 B5R0.5 C(=O)(C(=O)[O-])[O-] TS78240 [2,0,0,0,0,0|1,0,1]=4 407 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83830 [2,0,0,0,0,0|1,0,1]=4 408 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83860 [2,0,0,0,0,0|1,0,1]=4 409 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83891 [2,0,0,0,0,0|1,0,1]=4 410 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84091 [2,0,0,0,0,0|1,0,1]=4 411 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84176 [2,0,0,0,0,0|1,0,1]=4 412 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84599 [2,0,0,0,0,0|1,0,1]=4 413 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84655 [2,0,0,0,0,0|1,0,1]=4 414 B5R0.5 C(=O)(C(=O)[O-])[O-] TS94729 [2,0,0,0,0,0|1,0,1]=4 415 B5R0.5 C(C(=O)O)(Br)Br TS22308 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.5 C(C(=O)O)(Cl)Br TS45685 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.5 C(C(=O)O)(F)Cl TS31986 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.5 C(C(=O)O)(F)F TS01438 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.5 C=C(C(=O)O)Br TS40957 [2,0,0,0,0,0|1,0,1]=4 420 B5R0.5 C=C(C(=O)O)Cl TS31732 [2,0,0,0,0,0|1,0,1]=4 421 B5R0.5 C=C(C(=O)O)F TS03616 [2,0,0,0,0,0|1,0,1]=4 422 B5R0.5 CC(=C)C(=O)C TS03485 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.5 CC(=C)C(=O)Cl TS56226 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.5 CC(=C)C(=O)F TS03570 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.5 CC(=C)C(=O)N TS71737 [2,0,0,0,0,0|2,0,0]=4 426 B5R0.5 CC(=C)C(=O)O TS56224 [2,0,0,0,0,0|1,0,0]=3 427 B5R0.5 CC(=C)C(=O)[O-] TS03649 [2,0,0,0,0,0|1,0,1]=4 428 B5R0.5 CC(=C)C(=O)[O-] TS04134 [2,0,0,0,0,0|1,0,1]=4 429 B5R0.5 CC(=C)C(=O)[O-] TS17588 [2,0,0,0,0,0|1,0,1]=4 430 B5R0.5 CC(=C)C(=O)[O-] TS17954 [2,0,0,0,0,0|1,0,1]=4 431 B5R0.5 CC(=C)C(=O)[O-] TS20934 [2,0,0,0,0,0|1,0,1]=4 432 B5R0.5 CC(=C)C(=O)[O-] TS25799 [2,0,0,0,0,0|1,0,1]=4 433 B5R0.5 CC(=C)C(=O)[O-] TS35997 [2,0,0,0,0,0|1,0,1]=4 434 B5R0.5 CC(=C)C(=O)[O-] TS45223 [2,0,0,0,0,0|1,0,1]=4 435 B5R0.5 CC(=C)C(=O)[O-] TS60851 [2,0,0,0,0,0|1,0,1]=4 436 B5R0.5 CC(=C)C(=O)[O-] TS67081 [2,0,0,0,0,0|1,0,1]=4 437 B5R0.5 CC(=C)C(=O)[O-] TS68528 [2,0,0,0,0,0|1,0,1]=4 438 B5R0.5 CC(=C)C(=O)[O-] TS70135 [2,0,0,0,0,0|1,0,1]=4 439 B5R0.5 CC(=C)C(=O)[O-] TS78671 [2,0,0,0,0,0|1,0,1]=4 440 B5R0.5 CC(=O)C(=O)C TS03530 [2,0,0,0,0,0|1,0,0]=3 441 B5R0.5 CC(=O)C(=O)O TS71795 [2,0,0,0,0,0|0,0,0]=2 442 B5R0.5 CC(=O)C(=O)[O-] TS04176 [2,0,0,0,0,0|0,0,1]=3 443 B5R0.5 CC(=O)C(=O)[O-] TS36114 [2,0,0,0,0,0|0,0,1]=3 444 B5R0.5 CC(=O)C(=O)[O-] TS44476 [2,0,0,0,0,0|0,0,1]=3 445 B5R0.5 CC(=O)C(=O)[O-] TS71885 [2,0,0,0,0,0|0,0,1]=3 446 B5R0.5 CC(=O)C(O)O TS46028 [2,0,0,0,0,0|0,0,2]=4 447 B5R0.5 CC(=O)N(C)C TS03557 [2,0,0,0,0,0|1,0,1]=4 448 B5R0.5 CC(C(=C)C)O TS71758 [2,0,0,0,0,0|2,0,0]=4 449 B5R0.5 CC(C(=O)Br)Br TS93904 [2,0,0,0,0,0|2,0,0]=4 450 B5R0.5 CC(C(=O)C)Br TS40972 [2,0,0,0,0,0|1,0,1]=4 451 B5R0.5 CC(C(=O)C)Cl TS31738 [2,0,0,0,0,0|1,0,1]=4 452 B5R0.5 CC(C(=O)C)F TS71828 [2,0,0,0,0,0|1,0,1]=4 453 B5R0.5 CC(C(=O)C)O TS03581 [2,0,0,0,0,0|1,0,1]=4 454 B5R0.5 CC(C(=O)C)S TS60015 [2,0,0,0,0,0|1,0,1]=4 455 B5R0.5 CC(C(=O)Cl)Br TS45375 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.5 CC(C(=O)Cl)Cl TS36199 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.5 CC(C(=O)N)Br TS10108 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.5 CC(C(=O)N)Cl TS04116 [2,0,0,0,0,0|2,0,0]=4 459 B5R0.5 CC(C(=O)N)O TS71825 [2,0,0,0,0,0|2,0,0]=4 460 B5R0.5 CC(C(=O)O)Br TS10263 [2,0,0,0,0,0|1,0,0]=3 461 B5R0.5 CC(C(=O)O)Br TS41327 [2,0,0,0,0,0|1,0,0]=3 462 B5R0.5 CC(C(=O)O)Cl TS04158 [2,0,0,0,0,0|1,0,0]=3 463 B5R0.5 CC(C(=O)O)F TS02005 [2,0,0,0,0,0|1,0,0]=3 464 B5R0.5 CC(C(=O)O)N TS71826 [2,0,0,0,0,0|1,0,0]=3 465 B5R0.5 CC(C(=O)O)O TS03619 [2,0,0,0,0,0|1,0,0]=3 466 B5R0.5 CC(C(=O)O)O TS69796 [2,0,0,0,0,0|1,0,0]=3 467 B5R0.5 CC(C(=O)O)S TS04090 [2,0,0,0,0,0|1,0,0]=3 468 B5R0.5 CC(C(=O)[O-])O TS04267 [2,0,0,0,0,0|1,0,1]=4 469 B5R0.5 CC(C(=O)[O-])O TS21805 [2,0,0,0,0,0|1,0,1]=4 470 B5R0.5 CC(C(=O)[O-])O TS25875 [2,0,0,0,0,0|1,0,1]=4 471 B5R0.5 CC(C(=O)[O-])O TS49421 [2,0,0,0,0,0|1,0,1]=4 472 B5R0.5 CC(C(=O)[O-])O TS53785 [2,0,0,0,0,0|1,0,1]=4 473 B5R0.5 CC(C(=O)[O-])O TS60724 [2,0,0,0,0,0|1,0,1]=4 474 B5R0.5 CC(C(=O)[O-])O TS67922 [2,0,0,0,0,0|1,0,1]=4 475 B5R0.5 CC(C(=O)[O-])O TS82339 [2,0,0,0,0,0|1,0,1]=4 476 B5R0.5 CC(C(=O)[O-])O TS93633 [2,0,0,0,0,0|1,0,1]=4 477 B5R0.5 CC(C(=O)[O-])O TS94684 [2,0,0,0,0,0|1,0,1]=4 478 B5R0.5 CC(C(=O)[O-])O TS94690 [2,0,0,0,0,0|1,0,1]=4 479 B5R0.5 CC(C)C(=C)C TS71720 [2,0,0,0,0,0|1,0,0]=3 480 B5R0.5 CC(C)C(=N)N TS03540 [2,0,0,0,0,0|2,0,0]=4 481 B5R0.5 CC(C)C(=N)N TS32540 [2,0,0,0,0,0|2,0,0]=4 482 B5R0.5 CC(C)C(=O)Br TS40967 [2,0,0,0,0,0|1,0,0]=3 483 B5R0.5 CC(C)C(=O)C TS39716 [2,0,0,0,0,0|0,0,1]=3 484 B5R0.5 CC(C)C(=O)Cl TS31739 [2,0,0,0,0,0|1,0,0]=3 485 B5R0.5 CC(C)C(=O)F TS71829 [2,0,0,0,0,0|1,0,0]=3 486 B5R0.5 CC(C)C(=O)N TS01506 [2,0,0,0,0,0|1,0,0]=3 487 B5R0.5 CC(C)C(=O)O TS85221 [2,0,0,0,0,0|0,0,0]=2 488 B5R0.5 CC(C)C(=O)[O-] TS03660 [2,0,0,0,0,0|0,0,1]=3 489 B5R0.5 CC(C)C(=O)[O-] TS04185 [2,0,0,0,0,0|0,0,1]=3 490 B5R0.5 CC(C)C(=O)[O-] TS36146 [2,0,0,0,0,0|0,0,1]=3 491 B5R0.5 CC(C)C(=O)[O-] TS44540 [2,0,0,0,0,0|0,0,1]=3 492 B5R0.5 CC(C)C(C)O TS03594 [2,0,0,0,0,0|1,0,1]=4 493 B5R0.5 CC(C)[N+](=O)[O-] TS00110 [2,0,0,0,0,0|1,0,1]=4 494 B5R0.5 CN(C)C(=O)Cl TS04117 [2,0,0,0,0,0|2,0,0]=4 495 B5R0.5 CN(C)C(=O)N TS03592 [2,0,0,0,0,0|2,0,0]=4 496 B5R0.5 CN(C)C(=O)O TS05907 [2,0,0,0,0,0|1,0,0]=3 497 B5R0.5 C[C@@H](C(=O)N)N TS01517 [2,0,0,0,0,0|2,0,0]=4 498 B5R0.5 C[C@@H](C(=O)N)N TS03590 [2,0,0,0,0,0|2,0,0]=4 499 B5R0.5 C[C@@H](C(=O)N)O TS59860 [2,0,0,0,0,0|2,0,0]=4 500 B5R0.5 C[C@@H](C(=O)O)Br TS10265 [2,0,0,0,0,0|1,0,0]=3 501 B5R0.5 C[C@@H](C(=O)O)Cl TS47157 [2,0,0,0,0,0|1,0,0]=3 502 B5R0.5 C[C@@H](C(=O)O)N TS01516 [2,0,0,0,0,0|1,0,0]=3 503 B5R0.5 C[C@@H](C(=O)O)N TS03624 [2,0,0,0,0,0|1,0,0]=3 504 B5R0.5 C[C@@H](C(=O)O)O TS39672 [2,0,0,0,0,0|1,0,0]=3 505 B5R0.5 C[C@@H](C(=O)[O-])O TS04266 [2,0,0,0,0,0|1,0,1]=4 506 B5R0.5 C[C@@H](C(=O)[O-])O TS05332 [2,0,0,0,0,0|1,0,1]=4 507 B5R0.5 C[C@@H](C(=O)[O-])O TS28972 [2,0,0,0,0,0|1,0,1]=4 508 B5R0.5 C[C@H](C(=O)Cl)Cl TS94778 [2,0,0,0,0,0|2,0,0]=4 509 B5R0.5 C[C@H](C(=O)N)N TS46606 [2,0,0,0,0,0|2,0,0]=4 510 B5R0.5 C[C@H](C(=O)N)N TS60179 [2,0,0,0,0,0|2,0,0]=4 511 B5R0.5 C[C@H](C(=O)N)O TS71820 [2,0,0,0,0,0|2,0,0]=4 512 B5R0.5 C[C@H](C(=O)O)Br TS10264 [2,0,0,0,0,0|1,0,0]=3 513 B5R0.5 C[C@H](C(=O)O)O TS03621 [2,0,0,0,0,0|1,0,0]=3 514 B5R0.5 C[C@H](C(=O)[O-])O TS03708 [2,0,0,0,0,0|1,0,1]=4 515 B7R0.2 C(C(CN)N)C(=O)O TS32339 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.2 C([C@@H](CN)N)C(=O)O TS08133 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.2 C([C@@H](CO)N)C(=O)O TS32376 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.2 C([C@H](CN)N)C(=O)O TS08078 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.2 C([C@H](CN)O)C(=O)O TS32382 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.2 C([C@H](CO)N)C(=O)O TS74514 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.2 CC(=CC(=O)C)NC TS04388 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.2 CC(=CC(=O)OC)C TS08562 [1,1,0,0,0,0|0,0,1]=3 523 B7R0.2 CC(=CC(=O)OC)N TS08575 [1,1,0,0,0,0|1,0,1]=4 524 B7R0.2 CC(=CN(C)C)C=O TS32017 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.2 CC(C)CC(=NO)C TS32168 [1,1,0,0,0,0|1,0,1]=4 526 B7R0.2 CC(C)CC(=O)OC TS04588 [1,1,0,0,0,0|0,0,1]=3 527 B7R0.2 CC(C)CC(=O)SC TS05775 [1,1,0,0,0,0|0,1,1]=4 528 B7R0.2 CC(C)NC(=NO)N TS04682 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.2 CC(C)NC(=O)C=C TS32016 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.2 CC(C)NC(=O)CCl TS06023 [1,1,0,0,0,0|2,0,0]=4 531 B7R0.2 CC(C)OC(=O)C=C TS32061 [1,1,0,0,0,0|2,0,0]=4 532 B7R0.2 CC(C)OC(=O)CCl TS37073 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.2 CC(C)OC(=O)CN TS41311 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.2 CC(C)OC(=O)CO TS32323 [1,1,0,0,0,0|1,0,0]=3 535 B7R0.2 CC(C)OC(=O)CS TS05924 [1,1,0,0,0,0|1,1,0]=4 536 B7R0.2 CC(CC(=O)OC)Br TS65942 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.2 CCC(=O)CC(C)C TS32113 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.2 CCC(C)CC(=O)C TS04467 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.2 CCC(C)CC(=O)Cl TS05950 [1,1,0,0,0,0|1,0,1]=4 540 B7R0.2 CCC(C)CC(=O)O TS04597 [1,1,0,0,0,0|0,0,1]=3 541 B7R0.2 CCC(C)NC(=O)N TS04603 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.2 CCC(C)OC(=O)C TS32210 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.2 CCC(C)OC(=O)Cl TS06133 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.2 CCC(CC(=O)O)N TS04672 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.2 CCC(CC(=O)O)O TS32318 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [1,1,0,0,0,0|0,0,1]=3 547 B7R0.2 CC[C@@H](CC(=O)O)N TS32279 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [1,1,0,0,0,0|0,0,1]=3 549 B7R0.2 CC[C@H](CC(=O)O)N TS04666 [1,1,0,0,0,0|1,0,1]=4 550 B7R0.2 CN(C)CC(=O)OC TS04665 [1,1,0,0,0,0|1,0,1]=4 551 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.9 CC(=CC(C)(C)C)C TS31962 [1,1,0,0,0,0|2,0,0]=4 554 B7R0.9 CC(=O)CC(C)(C)C TS32105 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.9 CC(=O)CC(C)(C)N TS23643 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.9 CC(=O)CC(C)(C)O TS03121 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.9 CC(=O)CC(C)(C)S TS02240 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.9 CC(=O)NC(C)(C)C TS32162 [1,1,0,0,0,0|2,0,0]=4 559 B7R0.9 CC(=O)OC(C)(C)C TS33213 [1,1,0,0,0,0|2,0,0]=4 560 B7R0.9 CC(=O)SC(C)(C)C TS05772 [1,1,0,0,0,0|2,0,0]=4 561 B7R0.9 CC(C)(C)CC(=O)Cl TS65731 [1,1,0,0,0,0|1,0,1]=4 562 B7R0.9 CC(C)(C)CC(=O)O TS32207 [1,1,0,0,0,0|0,0,1]=3 563 B7R0.9 CC(C)(C)NC(=O)N TS04605 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.9 CC(C)(C)OC(=O)N TS01702 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.9 CC(C)(CC(=O)O)N TS65844 [1,1,0,0,0,0|0,0,1]=3 566 B7R0.9 CC(C)(CC(=O)O)O TS04710 [1,1,0,0,0,0|0,0,1]=3 567 B7R0.9 CC(C)OP(=O)(O)O TS44965 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.9 C[N+](C)(C)CC(=O)O TS39821 [1,1,0,0,0,0|1,0,1]=4 569 B7R0.9 C[Si](C)(C)CC(=O)O TS05787 [1,1,0,0,0,0|0,1,1]=4 570 B7R0.5 C(CBr)C(C(=O)O)Br TS27394 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.5 C(CBr)[C@@H](C(=O)O)N TS68673 [1,1,0,0,0,0|1,0,1]=4 572 B7R0.5 C(CN)C(C(=O)O)N TS32337 [1,1,0,0,0,0|1,0,1]=4 573 B7R0.5 C(CN)C(C(=O)O)N TS51238 [1,1,0,0,0,0|1,0,1]=4 574 B7R0.5 C(CN)C(C(=O)O)O TS02964 [1,1,0,0,0,0|0,0,2]=4 575 B7R0.5 C(CN)[C@@H](C(=O)O)N TS01514 [1,1,0,0,0,0|1,0,1]=4 576 B7R0.5 C(CN)[C@@H](C(=O)O)N TS54154 [1,1,0,0,0,0|1,0,1]=4 577 B7R0.5 C(CN)[C@@H](C(=O)O)O TS46625 [1,1,0,0,0,0|0,0,2]=4 578 B7R0.5 C(CN)[C@H](C(=O)O)F TS04856 [1,1,0,0,0,0|1,0,1]=4 579 B7R0.5 C(CN)[C@H](C(=O)O)N TS04719 [1,1,0,0,0,0|1,0,1]=4 580 B7R0.5 C(CN)[C@H](C(=O)O)N TS51237 [1,1,0,0,0,0|1,0,1]=4 581 B7R0.5 C(CO)C(C(=O)O)N TS32380 [1,1,0,0,0,0|1,0,1]=4 582 B7R0.5 C(CO)[C@@H](C(=O)O)N TS01524 [1,1,0,0,0,0|1,0,1]=4 583 B7R0.5 C(CO)[C@@H](C(=O)O)N TS59867 [1,1,0,0,0,0|1,0,1]=4 584 B7R0.5 C(CO)[C@@H](C(=O)O)O TS32406 [1,1,0,0,0,0|0,0,2]=4 585 B7R0.5 C(CO)[C@H](C(=O)O)N TS01423 [1,1,0,0,0,0|1,0,1]=4 586 B7R0.5 C(CS)C(C(=O)O)N TS05996 [1,1,0,0,0,0|1,0,1]=4 587 B7R0.5 C(CS)[C@@H](C(=O)O)N TS05998 [1,1,0,0,0,0|1,0,1]=4 588 B7R0.5 C(CS)[C@H](C(=O)O)N TS05994 [1,1,0,0,0,0|1,0,1]=4 589 B7R0.5 CC(C)C(=O)CC#N TS60063 [1,1,0,0,0,0|1,0,1]=4 590 B7R0.5 CCC=C(C)C(=O)O TS04448 [1,1,0,0,0,0|1,0,0]=3 591 B7R0.5 CCC=C(C)C(C)C TS31953 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,1,0,0,0,0|1,0,0]=3 593 B7R0.5 CCCC(=O)C(=O)O TS32183 [1,1,0,0,0,0|0,0,0]=2 594 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [1,1,0,0,0,0|0,0,1]=3 595 B7R0.5 CCCC(=O)C(C)C TS32114 [1,1,0,0,0,0|1,0,1]=4 596 B7R0.5 CCCC(C(=O)O)Br TS14719 [1,1,0,0,0,0|1,0,1]=4 597 B7R0.5 CCCC(C(=O)O)N TS04663 [1,1,0,0,0,0|1,0,1]=4 598 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [1,1,0,0,0,0|1,0,1]=4 599 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [1,1,0,0,0,0|1,0,1]=4 600 B7R0.5 CCNC(=O)C(=C)C TS04389 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.5 CCOC(=O)C(=C)Br TS47658 [1,1,0,0,0,0|2,0,0]=4 602 B7R0.5 CCOC(=O)C(=C)C TS00098 [1,1,0,0,0,0|2,0,0]=4 603 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,1,0,0,0,0|1,0,0]=3 604 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [1,1,0,0,0,0|1,0,0]=3 605 B7R0.5 CCOC(=O)C(=O)N TS32272 [1,1,0,0,0,0|1,0,0]=3 606 B7R0.5 CCOC(=O)C(C)C TS32217 [1,1,0,0,0,0|1,0,1]=4 607 B7R0.5 CCOC(=O)C(C)O TS04714 [1,1,0,0,0,0|1,0,1]=4 608 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [1,1,0,0,0,0|1,0,1]=4 610 B7R0.5 CCOC(=S)C(=O)N TS01481 [1,1,0,0,0,0|1,1,0]=4 611 B7R0.5 CNC[C@@H](C(=O)O)N TS32335 [1,1,0,0,0,0|1,0,1]=4 612 B7R0.5 CNC[C@H](C(=O)O)N TS32332 [1,1,0,0,0,0|1,0,1]=4 613 B7R0.5 COCC(C(=O)O)Cl TS55196 [1,1,0,0,0,0|1,0,1]=4 614 B7R0.5 COCC(C(=O)O)N TS32379 [1,1,0,0,0,0|1,0,1]=4 615 B7R0.5 COC[C@@H](C(=O)O)N TS32377 [1,1,0,0,0,0|1,0,1]=4 616 B7R0.5 COC[C@@H](C(=O)O)N TS41554 [1,1,0,0,0,0|1,0,1]=4 617 B7R0.5 COC[C@H](C(=O)O)N TS59337 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.5 CSC[C@@H](C(=O)O)N TS01687 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.10 C(C(=O)C(=O)CBr)Br TS27074 [1,1,0,0,0,0|2,0,0]=4 620 B7R0.10 C([C@@H](C(=O)NO)N)Cl TS37249 [1,1,0,0,0,0|2,0,0]=4 621 B7R0.10 CC(C(=O)OC)OC TS32317 [1,1,0,0,0,0|2,0,0]=4 622 B7R0.10 CC(C(=O)OC)SC TS05922 [1,1,0,0,0,0|2,0,0]=4 623 B7R0.10 CC=C(C(=O)OC)Br TS47656 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.10 CC=C(C)C(=O)OC TS32064 [1,1,0,0,0,0|1,0,1]=4 625 B7R0.10 CC=C(C)C(=O)OC TS32066 [1,1,0,0,0,0|1,0,1]=4 626 B7R0.10 CCC(C(=O)CC)O TS32221 [1,1,0,0,0,0|1,0,1]=4 627 B7R0.10 CCC(C(=O)OC)Br TS65236 [1,1,0,0,0,0|1,0,1]=4 628 B7R0.10 CCC(C(=O)OC)Cl TS06135 [1,1,0,0,0,0|1,0,1]=4 629 B7R0.10 CCC(C(=O)OC)N TS41307 [1,1,0,0,0,0|1,0,1]=4 630 B7R0.10 CCC(C)C(=CC)C TS04350 [1,1,0,0,0,0|2,0,0]=4 631 B7R0.10 CCC(C)C(=O)CC TS04477 [1,1,0,0,0,0|1,0,1]=4 632 B7R0.10 CCC(C)C(=O)OC TS04590 [1,1,0,0,0,0|1,0,1]=4 633 B7R0.10 CCC(C)C(=O)SC TS05776 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.10 CCC(C)C(C)C=O TS04460 [1,1,0,0,0,0|1,0,1]=4 635 B7R0.10 CNC(=O)C(=O)NC TS32195 [1,1,0,0,0,0|2,0,0]=4 636 B7R0.10 COC(=O)C(=C)CBr TS47657 [1,1,0,0,0,0|2,0,0]=4 637 B7R0.10 COC(=O)C(=O)CBr TS14714 [1,1,0,0,0,0|1,0,0]=3 638 B7R0.10 COC(=O)C(=O)OC TS39853 [1,1,0,0,0,0|1,0,0]=3 639 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [1,1,0,0,0,0|2,0,0]=4 640 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [1,1,0,0,0,0|2,0,0]=4 641 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [1,1,0,0,0,0|2,0,0]=4 642 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [1,1,0,0,0,0|2,0,0]=4 643 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [1,1,0,0,0,0|2,0,0]=4 644 B7R0.13 CCC(C)(C(=O)O)Br TS14722 [1,1,0,0,0,0|1,0,1]=4 645 B7R0.13 CCC(C)(C(=O)O)N TS04668 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.13 CCC(C)(C(=O)O)N TS41309 [1,1,0,0,0,0|1,0,1]=4 647 B7R0.13 CCC(C)(C(=O)O)O TS04711 [1,1,0,0,0,0|0,0,2]=4 648 B7R0.13 CCC(C)(C)C(=O)O TS32225 [1,1,0,0,0,0|1,0,1]=4 649 B7R0.13 CC[C@](C)(C(=O)O)N TS08724 [1,1,0,0,0,0|1,0,1]=4 650 B7R0.13 CC[C@](C)(C(=O)O)N TS10365 [1,1,0,0,0,0|1,0,1]=4 651 B7R0.13 CC[C@](C)(C(=O)O)O TS32316 [1,1,0,0,0,0|0,0,2]=4 652 B7R0.14 CC(=NO)C(C)(C)C TS32159 [1,1,0,0,0,0|2,0,0]=4 653 B7R0.14 CC(=NO)C(C)(C)O TS32282 [1,1,0,0,0,0|2,0,0]=4 654 B7R0.14 CC(C)(C(=O)NN)O TS32334 [1,1,0,0,0,0|2,0,0]=4 655 B7R0.14 CC(C)(C(=O)OC)Br TS60142 [1,1,0,0,0,0|2,0,0]=4 656 B7R0.14 CC(C)(C(=O)OC)F TS56254 [1,1,0,0,0,0|2,0,0]=4 657 B7R0.14 CC(C)(C(=O)OC)N TS01337 [1,1,0,0,0,0|2,0,0]=4 658 B7R0.14 CC(C)(C(=O)OC)O TS04713 [1,1,0,0,0,0|2,0,0]=4 659 B7R0.14 CC(C)(C)C(=O)C#N TS31875 [1,1,0,0,0,0|1,0,1]=4 660 B7R0.14 CC(C)(C)C(=O)CBr TS47672 [1,1,0,0,0,0|1,0,1]=4 661 B7R0.14 CC(C)(C)C(=O)CCl TS00046 [1,1,0,0,0,0|1,0,1]=4 662 B7R0.14 CC(C)(C)C(=O)NC TS32150 [1,1,0,0,0,0|2,0,0]=4 663 B7R0.14 CC(C)(C)C(=O)OC TS32211 [1,1,0,0,0,0|2,0,0]=4 664 B7R0.14 CC=C(C)C(C)(C)C TS31978 [1,1,0,0,0,0|2,0,0]=4 665 B7R0.14 CCC(=O)C(C)(C)C TS04479 [1,1,0,0,0,0|1,0,1]=4 666 B7R0.15 CCC(=CC)C(C)C TS31976 [1,1,0,0,0,0|2,0,0]=4 667 B7R0.15 CCC(C=O)C(C)C TS32780 [1,1,0,0,0,0|1,0,1]=4 668 B7R0.15 CCC(CC)C(=O)O TS04596 [1,1,0,0,0,0|1,0,1]=4 669 B7R0.15 CC[C@H](CO)C(=O)O TS04708 [1,1,0,0,0,0|0,0,2]=4 670 B9R0.10 CC(C)(C)C(CC(=O)O)N TS07108 [0,1,0,0,0,1|1,0,1]=4 671 B9R0.10 CC(C)(C)[C@@H](CC(=O)O)N TS40323 [0,1,0,0,0,1|1,0,1]=4 672 B9R0.10 CC(CC(=O)O)C(C)(C)C TS40211 [0,1,0,0,0,1|1,0,1]=4 673 B9R0.11 CC(C)CC(C)(C(=O)O)N TS40321 [0,1,0,0,0,1|1,0,1]=4 674 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N TS40326 [0,1,0,0,0,1|1,0,1]=4 675 B9R0.23 CC(=O)CC(=O)C(=O)OC TS40145 [0,1,0,0,0,1|1,0,1]=4 676 B9R0.23 CC(C)CC(C(=O)OC)N TS48158 [0,1,0,0,0,1|1,0,1]=4 677 B9R0.23 CC(C)C[C@@H](C(=O)OC)N TS48150 [0,1,0,0,0,1|1,0,1]=4 678 B9R0.23 CC(C)C[C@H](C(=O)OC)N TS48153 [0,1,0,0,0,1|1,0,1]=4 679 B9R0.23 CC(C)OC(=O)C(=C)C#N TS06366 [0,1,0,0,0,1|2,0,0]=4 680 B9R0.23 CC=C(C)C(=O)OC(C)C TS06716 [0,1,0,0,0,1|2,0,0]=4 681 B9R0.23 CC[C@H](C)[C@@H](CC(=O)O)N TS48155 [0,1,0,0,0,1|1,0,1]=4 682 B9R0.39 CC(C)CC(C(=O)O)NC TS40324 [0,1,0,0,0,1|1,0,1]=4 683 B9R0.39 CC(C)C[C@@H](C(=O)O)NC TS07105 [0,1,0,0,0,1|1,0,1]=4 684 B9R0.42 CC(C(=O)CC(=O)OC)Br TS43586 [0,1,0,0,0,1|1,0,0]=3 685 B9R0.42 CC(C)C(=O)CC(=O)OC TS06942 [0,1,0,0,0,1|0,0,0]=2 686 B9R0.42 CCC(C)CC(C)C(=O)O TS06984 [0,1,0,0,0,1|1,0,1]=4 687 B9R0.42 CCC(C)OC(=O)C(=C)C TS06702 [0,1,0,0,0,1|2,0,0]=4 688 B9R0.57 CC(=C)C(=O)OC(C)(C)C TS37593 [0,1,0,0,0,1|2,0,0]=4 689 B9R0.57 CC(C)(C)CC(=O)C(=O)O TS06947 [0,1,0,0,0,1|0,0,0]=2 690 B9R0.57 CC(C)(C)CC(C(=O)O)N TS40315 [0,1,0,0,0,1|1,0,1]=4 691 B9R0.57 CC(C)(C)OC(=O)C(=C)F TS07210 [0,1,0,0,0,1|2,0,0]=4 692 B9R0.57 C[C@H](C(=O)OC(C)(C)C)O TS40418 [0,1,0,0,0,1|1,0,1]=4 693 B9R0.79 CC(=O)C(C(=O)N(C)C)Cl TS11764 [0,1,0,0,0,1|2,0,0]=4 694 B9R0.79 CC(C)[C@@H]([C@@H](C(=O)O)N)O TS40512 [0,1,0,0,0,1|0,0,2]=4 695 B9R0.79 CC(C)[C@@H]([C@H](C(=O)O)N)O TS40515 [0,1,0,0,0,1|0,0,2]=4 696 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O TS59849 [0,1,0,0,0,1|0,0,2]=4 697 B9R0.79 CC(C)[C@H]([C@H](C(=O)O)N)O TS07319 [0,1,0,0,0,1|0,0,2]=4 698 B9R0.6 CCOC(=O)C(=O)C(C)C TS06953 [0,2,0,0,0,0|0,0,0]=2 699 B9R0.6 CCOC(=O)C(=O)N(C)C TS40286 [0,2,0,0,0,0|1,0,0]=3 700 B9R0.6 CCOC(=O)C(C(C)C)Br TS55905 [0,2,0,0,0,0|1,0,1]=4 701 B9R0.6 CCOC(=O)C(C(C)C)N TS48167 [0,2,0,0,0,0|1,0,1]=4 702 B9R0.6 CCOC(=O)[C@@H](C(C)C)N TS48159 [0,2,0,0,0,0|1,0,1]=4 703 B9R0.6 CCOC(=O)[C@H](C(C)C)N TS48151 [0,2,0,0,0,0|1,0,1]=4 704 B9R0.6 CCOC(C)C(=O)C(O)O TS07406 [0,2,0,0,0,0|0,0,2]=4 705 B9R0.6 CCO[C@@H](C)[C@@H](C(=O)O)N TS07315 [0,2,0,0,0,0|1,0,1]=4 706 B9R0.25 CC(C)(C)[C@@H](C(=O)OC)N TS09199 [0,2,0,0,0,0|1,0,1]=4 707 B9R0.25 COC(=O)C(=C)[Si](C)(C)C TS11049 [0,2,0,0,0,0|1,1,0]=4 708 B9R0.25 COC(=O)C(=O)C(F)(F)F TS01564 [0,2,0,0,0,0|2,0,0]=4 709 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N TS07103 [0,2,0,0,0,0|1,0,1]=4 710 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N TS16615 [0,2,0,0,0,0|1,0,1]=4 711 B9R0.29 CC(C)C(C(=O)OC)[N+]#[C-] TS06585 [0,2,0,0,0,0|1,0,1]=4 712 B9R0.29 CC(C)[C@@H](C(=O)OC)NC TS48160 [0,2,0,0,0,0|1,0,1]=4 713 B9R0.32 CC(C)(C(C(=O)O)Br)OC TS21057 [0,2,0,0,0,0|1,0,1]=4 714 B9R0.32 CC(C)([C@@H](C(=O)O)N)OC TS07322 [0,2,0,0,0,0|1,0,1]=4 715 B9R0.41 CN(C)C(=O)C(=NO)SC TS42477 [0,2,0,0,0,0|1,1,0]=4 716 B9R0.33 CC(C)[C@@H](C(=O)O)NC=O TS40287 [0,2,0,0,0,0|0,0,1]=3 717 B9R0.54 CC(C)C(C(=O)O)C(=O)O TS55415 [0,2,0,0,0,0|0,0,1]=3 718 B9R0.76 CC(C)C(CO)(C(=O)O)N TS07316 [0,2,0,0,0,0|0,0,2]=4 719 B7R1.2 C1C(COC1=O)O TS31581 [1,0,0,1,0,0|1,0,1]=4 720 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [1,0,0,1,0,0|2,0,0]=4 721 B7R1.2 C1C(OC(=O)O1)F TS31724 [1,0,0,1,0,0|2,0,0]=4 722 B7R1.2 C1[C@@H](COC1=O)N TS37130 [1,0,0,1,0,0|1,0,1]=4 723 B7R1.2 C1[C@@H](COC1=O)O TS33101 [1,0,0,1,0,0|1,0,1]=4 724 B7R1.2 C1[C@H](COC1=O)O TS46585 [1,0,0,1,0,0|1,0,1]=4 725 B7R1.2 CC1=CC(=O)CC1 TS60019 [1,0,0,1,0,0|1,0,1]=4 726 B7R1.2 CC1=CC(=O)OC1 TS03763 [1,0,0,1,0,0|0,0,1]=3 727 B7R1.2 CC1COC(=O)O1 TS08062 [1,0,0,1,0,0|1,0,0]=3 728 B7R1.2 CC1COC(=O)O1 TS93060 [1,0,0,1,0,0|1,0,0]=3 729 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,0,0,1,0,0|2,0,0]=4 730 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [1,0,0,1,0,0|1,0,0]=3 731 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [1,0,0,1,0,0|1,0,0]=3 732 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [1,0,0,1,0,0|1,0,0]=3 733 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O TS91377 [1,0,0,1,0,0|1,0,1]=4 734 B7R1.20 C1CC1CC(=O)O TS55836 [1,0,0,1,0,0|0,0,1]=3 735 B7R1.4 C1C(C(=O)NO1)N TS03929 [1,0,0,1,0,0|2,0,0]=4 736 B7R1.4 C1CC(=O)C(=C1)Br TS11349 [1,0,0,1,0,0|2,0,0]=4 737 B7R1.4 C1COC(=O)C1Br TS65029 [1,0,0,1,0,0|1,0,1]=4 738 B7R1.4 C1COC(=O)C1O TS70622 [1,0,0,1,0,0|0,0,2]=4 739 B7R1.4 C1COC(=O)N1N TS03931 [1,0,0,1,0,0|2,0,0]=4 740 B7R1.4 C1COC(=O)N1N TS18967 [1,0,0,1,0,0|2,0,0]=4 741 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [1,0,0,1,0,0|1,0,1]=4 742 B7R1.4 C1COC(=O)[C@H]1N TS37131 [1,0,0,1,0,0|1,0,1]=4 743 B7R1.4 C1[C@@H](C(=O)NO1)N TS31587 [1,0,0,1,0,0|2,0,0]=4 744 B7R1.4 C1[C@H](C(=O)NO1)N TS01419 [1,0,0,1,0,0|2,0,0]=4 745 B7R1.4 C=C1CCOC1=O TS46473 [1,0,0,1,0,0|1,0,0]=3 746 B7R1.4 CC1=C(CCO1)S TS04610 [1,0,0,1,0,0|1,1,0]=4 747 B7R1.4 CC1=C(CCO1)S TS11013 [1,0,0,1,0,0|1,1,0]=4 748 B7R1.4 CC1=CCCC1=O TS31367 [1,0,0,1,0,0|2,0,0]=4 749 B7R1.4 CC1=CCOC1=O TS03756 [1,0,0,1,0,0|1,0,1]=4 750 B7R1.4 CC1C(=O)CCO1 TS31501 [1,0,0,1,0,0|1,0,1]=4 751 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,1,0,0|2,0,0]=4 752 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,1,0,0|2,0,0]=4 753 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,1,0,0|1,0,1]=4 754 B7R1.18 C1CC(C1)C(=O)O TS22946 [1,0,0,1,0,0|1,0,1]=4 755 B7R1.18 C1CNC1C(=O)O TS31540 [1,0,0,1,0,0|1,0,1]=4 756 B7R1.18 C1CNC1C(=O)O TS86021 [1,0,0,1,0,0|1,0,1]=4 757 B7R1.18 C1CN[C@@H]1C(=O)O TS08096 [1,0,0,1,0,0|1,0,1]=4 758 B7R1.18 C1CN[C@@H]1C(=O)O TS37132 [1,0,0,1,0,0|1,0,1]=4 759 B7R1.18 C1CN[C@H]1C(=O)O TS01418 [1,0,0,1,0,0|1,0,1]=4 760 B7R1.18 C1COC1C(=O)O TS32718 [1,0,0,1,0,0|0,0,2]=4 761 B7R1.19 C1CC1(C(=O)O)N TS46850 [1,0,0,1,0,0|1,0,1]=4 762 B7R1.19 C1CC1(C(=O)O)N TS94651 [1,0,0,1,0,0|1,0,1]=4 763 B7R1.19 C1CC1(C(=O)O)O TS46965 [1,0,0,1,0,0|0,0,2]=4 764 B7R1.19 CC1(CC1)C(=O)O TS03847 [1,0,0,1,0,0|1,0,1]=4 765 B7R1.22 C1CC1C(=NO)N TS29492 [1,0,0,1,0,0|2,0,0]=4 766 B7R1.22 C1CC1C(=NO)N TS29493 [1,0,0,1,0,0|2,0,0]=4 767 B7R1.22 C1CC1C(=O)CBr TS55070 [1,0,0,1,0,0|1,0,1]=4 768 B7R1.22 C1CC1C(=O)NN TS55829 [1,0,0,1,0,0|2,0,0]=4 769 B7R1.22 CC(=NO)C1CC1 TS03823 [1,0,0,1,0,0|2,0,0]=4 770 B7R1.22 COC(=O)C1CC1 TS77154 [1,0,0,1,0,0|2,0,0]=4 771 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TS46612 [0,0,0,1,0,1|1,0,1]=4 772 B9R1.35 CC(C)[C@H]1COC(=O)N1 TS08657 [0,0,0,1,0,1|1,0,1]=4 773 B9R1.35 CC(C)c1n[nH]c(=O)o1 TS05317 [0,0,0,1,0,1|2,0,0]=4 774 B9R1.35 CC(C)c1nc(=O)[nH]o1 TS36283 [0,0,0,1,0,1|1,0,1]=4 775 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O TS05455 [0,0,0,1,0,1|1,0,1]=4 776 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O TS36399 [0,0,0,1,0,1|1,0,1]=4 777 B9R1.36 CC1C(=O)OC(S1)(C)C TS40452 [0,0,0,1,0,1|1,0,1]=4 778 B9R1.38 CC1(C(=O)NC(=O)N1)C TS36284 [0,0,0,1,0,1|1,0,0]=3 779 B9R1.38 CC1(C(=O)NC(=O)N1)O TS36458 [0,0,0,1,0,1|2,0,0]=4 780 B9R1.38 CC1(C(=O)NC(=O)O1)C TS36393 [0,0,0,1,0,1|0,0,0]=2 781 B9R1.38 CC1(CC(=O)OC1=C)C TS36116 [0,0,0,1,0,1|2,0,0]=4 782 B9R1.38 CC1(CC(=O)OC1=O)C TS36281 [0,0,0,1,0,1|1,0,0]=3 783 B9R1.69 C1CC(=O)NC(=O)C1N TS42830 [0,0,0,1,0,1|2,0,0]=4 784 B9R1.69 C1CC(=O)NC(=O)C1N TS86733 [0,0,0,1,0,1|2,0,0]=4 785 B9R1.69 C1CC(=O)NC(=O)C1N TS93583 [0,0,0,1,0,1|2,0,0]=4 786 B9R1.69 C1CC(=O)NC(=O)C1N TS93593 [0,0,0,1,0,1|2,0,0]=4 787 B9R1.69 CC1CNC(=O)NC1=O TS36286 [0,0,0,1,0,1|1,0,0]=3 788 B9R1.112 C1CC1CC(C(=O)O)N TS05457 [0,0,0,1,0,1|1,0,1]=4 789 B9R1.112 C1CC1C[C@@H](C(=O)O)N TS02288 [0,0,0,1,0,1|1,0,1]=4 790 B9R1.112 C1CC1C[C@@H](C(=O)O)N TS42976 [0,0,0,1,0,1|1,0,1]=4 791 B9R1.112 C1CC1C[C@H](C(=O)O)N TS36407 [0,0,0,1,0,1|1,0,1]=4 792 B9R1.137 CC(=O)CC(=O)C1CC1 TS36126 [0,0,0,1,0,1|1,0,0]=3 793 B9R1.164 CC1(CC(=C1)C(=O)O)C TS87565 [0,0,0,1,0,1|1,0,0]=3 794 B9R1.164 CC1(CC(C1)C(=O)O)C TS36298 [0,0,0,1,0,1|1,0,1]=4 795 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,1,0,1,0,0|1,0,0]=3 796 B9R1.37 CC1C(=C(C(=O)O1)O)C TS36275 [0,1,0,1,0,0|0,0,2]=4 797 B9R1.37 CC1C(=O)C(=C(O1)C)O TS36276 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.37 CC1C(=O)CC(=O)C1=O TS05133 [0,1,0,1,0,0|1,0,1]=4 799 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O TS46518 [0,1,0,1,0,0|1,0,1]=4 800 B9R1.93 C1[C@@H]([C@]1(C(=O)O)N)CO TS05644 [0,1,0,1,0,0|1,0,1]=4 801 B9R1.110 C1C(CO1)C(C(=O)O)N TS85945 [0,1,0,1,0,0|1,0,1]=4 802 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N TS92709 [0,1,0,1,0,0|1,0,1]=4 803 B9R1.110 C1C(CO1)[C@H](C(=O)O)N TS92093 [0,1,0,1,0,0|1,0,1]=4 804 B9R1.110 C1CC(C1)C(C(=O)O)N TS36394 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N TS36400 [0,1,0,1,0,0|1,0,1]=4 806 B9R1.110 C1CC(C1)[C@H](C(=O)O)N TS36414 [0,1,0,1,0,0|1,0,1]=4 807 B9R1.138 CC1(COC(=O)C1=O)C TS36274 [0,1,0,1,0,0|0,0,0]=2 808 B9R1.138 CC1(COC(=O)C1O)C TS36471 [0,1,0,1,0,0|0,0,2]=4 809 B9R1.138 CC1(COC(=O)[C@@H]1O)C TS05534 [0,1,0,1,0,0|0,0,2]=4 810 B9R1.138 CC1(COC(=O)[C@H]1O)C TS46639 [0,1,0,1,0,0|0,0,2]=4 811 B9R1.165 CC(C1CC1)(C(=O)O)N TS36406 [0,1,0,1,0,0|1,0,1]=4 812 B9R2.143 C1CC12CC2C(=O)O TS88031 [0,0,0,2,0,0|1,0,1]=4 813 B7R0.6 CC(=CCC(=O)O)C TS04452 [1,0,0,0,0,1|0,0,1]=3 814 B7R0.6 CC(=O)C=CC(=O)O TS32041 [1,0,0,0,0,1|1,0,1]=4 815 B7R0.6 CC(C)C=CC(=O)C TS01150 [1,0,0,0,0,1|1,0,0]=3 816 B7R0.6 CC(C)C=CC(=O)O TS04440 [1,0,0,0,0,1|0,0,0]=2 817 B7R0.6 CC(C)CCC(=O)C TS32095 [1,0,0,0,0,1|1,0,1]=4 818 B7R0.6 CC(C)CCC(=O)Cl TS05954 [1,0,0,0,0,1|1,0,1]=4 819 B7R0.6 CC(C)CCC(=O)O TS32208 [1,0,0,0,0,1|0,0,1]=3 820 B7R0.6 CC(C)CNC(=O)N TS04600 [1,0,0,0,0,1|1,0,1]=4 821 B7R0.6 CC(C)COC(=O)C TS04598 [1,0,0,0,0,1|1,0,1]=4 822 B7R0.6 CC(C)COC(=O)Cl TS74510 [1,0,0,0,0,1|1,0,1]=4 823 B7R0.6 CC(C)COC(=O)N TS32285 [1,0,0,0,0,1|1,0,1]=4 824 B7R0.6 CC(C)OCC(=O)O TS04716 [1,0,0,0,0,1|0,0,1]=3 825 B7R0.6 C[S+](C)CCC(=O)O TS12940 [1,0,0,0,0,1|1,0,1]=4 826 B7R0.6 C[S+](C)CCC(=O)O TS21843 [1,0,0,0,0,1|1,0,1]=4 827 B9R0.7 CC(=C)C(=O)NCC(=O)O TS16312 [0,0,0,0,0,2|0,0,2]=4 828 B9R0.7 CC(C(=O)NCC(=O)O)Cl TS12104 [0,0,0,0,0,2|1,0,0]=3 829 B9R0.7 CC(C(=O)NCC(=O)O)N TS07184 [0,0,0,0,0,2|1,0,0]=3 830 B9R0.7 CC(C(=O)NCC(=O)O)S TS42588 [0,0,0,0,0,2|1,0,0]=3 831 B9R0.7 CC(C)CCC(C(=O)O)N TS07102 [0,0,0,0,0,2|1,0,1]=4 832 B9R0.7 CC(C)COC(=O)C(=C)C TS37616 [0,0,0,0,0,2|2,0,0]=4 833 B9R0.7 CN(C)C(=O)CCC(=O)O TS40298 [0,0,0,0,0,2|1,0,0]=3 834 B9R0.7 CN(C)C(=S)SCC(=O)O TS47776 [0,0,0,0,0,2|1,1,0]=4 835 B9R0.7 C[C@@H](C(=O)NCC(=O)N)N TS48148 [0,0,0,0,0,2|2,0,0]=4 836 B9R0.7 C[C@H](C(=O)NCC(=O)N)N TS48147 [0,0,0,0,0,2|2,0,0]=4 837 B9R0.7 C[C@H](C(=O)NCC(=O)O)N TS40382 [0,0,0,0,0,2|1,0,0]=3 838 B9R0.7 C[C@H](C(=O)OCC(C)C)O TS40428 [0,0,0,0,0,2|1,0,1]=4 839 B9R0.53 CC(C)CC(=O)CC(=O)C TS06714 [0,0,0,0,0,2|1,0,0]=3 840 B9R0.53 CC(C)C[C@@H](CC(=O)O)N TS40318 [0,0,0,0,0,2|1,0,1]=4 841 B9R0.53 CC(C)C[C@@H](CC(=O)O)N TS48165 [0,0,0,0,0,2|1,0,1]=4 842 B9R0.53 CC(C)OC(=O)C=C(C)N TS01510 [0,0,0,0,0,2|2,0,0]=4 843 B9R0.53 CC(C)OC(=O)CC(=O)C TS06935 [0,0,0,0,0,2|1,0,0]=3 844 B9R0.53 CC(C)SC(=O)C=C(C)C TS11047 [0,0,0,0,0,2|2,0,0]=4