0 B3R0.2 B(C)(O)O LS11144 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 B(O)(O)O LS41322 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 BN(C)C LS00132 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 C(=N)(N)Cl LS41086 [0,0,0,0,0,0|3,0,1]=4 4 B3R0.2 C(=O)(O)[O-] LS60311 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.2 CC(=O)O LS00077 [0,0,0,0,0,0|1,0,1]=2 6 B3R0.2 CC(=O)[O-] LS60288 [0,0,0,0,0,0|1,0,2]=3 7 B3R0.2 CC(=O)[O-] LS60289 [0,0,0,0,0,0|1,0,2]=3 8 B3R0.2 CC(=O)[O-] LS60314 [0,0,0,0,0,0|1,0,2]=3 9 B3R0.2 CC(C)[O-] LS60292 [0,0,0,0,0,0|0,0,1]=1 10 B3R0.2 CN(C)C LS41629 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.2 CP(C)C LS41013 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.2 OP(O)[O-] LS00064 [0,0,0,0,0,0|3,0,0]=3 13 B3R0.2 OP([O-])[O-] LS00019 [0,0,0,0,0,0|3,0,0]=3 14 B3R0.2 OP([O-])[O-] LS00063 [0,0,0,0,0,0|3,0,0]=3 15 B3R0.2 [N+](=O)([O-])[O-] LS60312 [0,0,0,0,0,0|3,0,1]=4 16 B3R0.2 [O-]I(=O)=O LS41974 [0,0,0,0,0,0|3,0,1]=4 17 B3R0.2 [O-]I(=O)=O LS41976 [0,0,0,0,0,0|3,0,1]=4 18 B3R0.2 [O-]P(=O)=O LS60296 [0,0,0,0,0,0|3,0,1]=4 19 B2R0.1 C(#N)[Se-] LS41862 [1,0,0,0,0,0|1,1,1]=4 20 B2R0.1 C(=O)[O-] LS60287 [1,0,0,0,0,0|1,0,2]=4 21 B2R0.1 C(=O)[O-] LS60313 [1,0,0,0,0,0|1,0,2]=4 22 B2R0.1 [O-]P=O LS00029 [1,0,0,0,0,0|2,0,1]=4 23 B2R0.1 [O-]P=O LS41874 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 B(CC)(O)O LS11146 [0,1,0,0,0,0|2,0,0]=3 25 B4R0.1 C(C(=O)Cl)Br LS40185 [0,1,0,0,0,0|1,0,2]=4 26 B4R0.1 C(C(=O)N)I LS41576 [0,1,0,0,0,0|1,0,2]=4 27 B4R0.1 C(C(=O)[O-])Br LS41065 [0,1,0,0,0,0|1,0,2]=4 28 B4R0.1 CC(=C)CO LS40522 [0,1,0,0,0,0|0,0,2]=3 29 B4R0.1 CC(=NO)C LS00155 [0,1,0,0,0,0|0,0,1]=2 30 B4R0.1 CC(CCl)Cl LS40550 [0,1,0,0,0,0|1,0,0]=2 31 B4R0.1 CC[C@@H](C)O LS30261 [0,1,0,0,0,0|0,0,0]=1 32 B4R0.1 CC[C@H](C)O LS30260 [0,1,0,0,0,0|0,0,0]=1 33 B4R0.1 COC(Cl)Cl LS00123 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 C[C@@H](CCl)O LS30025 [0,1,0,0,0,0|0,0,0]=1 35 B4R0.1 C[C@@H](CO)Cl LS30257 [0,1,0,0,0,0|1,0,0]=2 36 B4R0.1 C[C@@H](CO)N LS30252 [0,1,0,0,0,0|1,0,0]=2 37 B4R0.1 C[C@@H](CO)O LS30238 [0,1,0,0,0,0|0,0,0]=1 38 B4R0.1 C[C@H](CCl)O LS30026 [0,1,0,0,0,0|0,0,0]=1 39 B4R0.1 C[C@H](CO)Cl LS30085 [0,1,0,0,0,0|1,0,0]=2 40 B4R0.1 C[C@H](CO)N LS30253 [0,1,0,0,0,0|1,0,0]=2 41 B4R0.1 C[C@H](CO)O LS30239 [0,1,0,0,0,0|0,0,0]=1 42 B4R0.3 CC(C)(C)[O-] LS60293 [0,1,0,0,0,0|0,0,1]=2 43 B4R0.3 C[As](=O)(C)[O-] LS41740 [0,1,0,0,0,0|1,0,1]=3 44 B4R0.3 C[N+](C)(C)C LS00070 [0,1,0,0,0,0|2,0,0]=3 45 B4R0.3 C[S+](=O)(C)C LS41693 [0,1,0,0,0,0|1,0,1]=3 46 B4R0.3 C[S+](=O)(C)C LS41694 [0,1,0,0,0,0|1,0,1]=3 47 B4R0.3 C[Si](C)(C)Br LS40381 [0,1,0,0,0,0|1,1,0]=3 48 B4R0.3 OP(=O)(O)[O-] LS00066 [0,1,0,0,0,0|3,0,0]=4 49 B4R0.3 OP(=O)(O)[O-] LS60295 [0,1,0,0,0,0|3,0,0]=4 50 B4R0.3 OP(=O)(O)[O-] LS60300 [0,1,0,0,0,0|3,0,0]=4 51 B4R0.3 OP(=O)([O-])[O-] LS00067 [0,1,0,0,0,0|3,0,0]=4 52 B4R0.3 OP(=O)([O-])[O-] LS00068 [0,1,0,0,0,0|3,0,0]=4 53 B4R0.3 O[As](=O)(O)O LS41730 [0,1,0,0,0,0|3,0,0]=4 54 B4R0.3 O[As](=O)(O)[O-] LS41731 [0,1,0,0,0,0|3,0,0]=4 55 B4R0.3 O[As](=O)(O)[O-] LS41734 [0,1,0,0,0,0|3,0,0]=4 56 B4R0.3 O[As](=O)(O)[O-] LS41741 [0,1,0,0,0,0|3,0,0]=4 57 B4R0.3 O[As](=O)([O-])[O-] LS41738 [0,1,0,0,0,0|3,0,0]=4 58 B4R1.2 CC1=CC1 LS00107 [0,0,0,1,0,0|1,0,1]=3 59 B4R1.2 C[C@@H]1CO1 LS30241 [0,0,0,1,0,0|0,0,0]=1 60 B4R1.2 C[C@H]1CO1 LS30240 [0,0,0,1,0,0|0,0,0]=1 61 B1R0.1 C[O-] LS60290 [2,0,0,0,0,0|0,0,1]=3 62 B1R0.1 [C-]#N LS41174 [2,0,0,0,0,0|1,0,1]=4 63 B3R0.1 C(CCl)N LS40418 [1,1,0,0,0,0|1,0,0]=3 64 B3R0.1 C(CF)O LS40655 [1,1,0,0,0,0|0,0,0]=2 65 B3R0.1 C(CO)N LS41686 [1,1,0,0,0,0|0,0,0]=2 66 B3R0.1 CCNN LS40292 [1,1,0,0,0,0|1,0,0]=3 67 B3R0.1 CNOC LS41340 [1,1,0,0,0,0|1,0,0]=3 68 B5R0.1 B(CCC)(O)O LS11148 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.1 C(CO)C(=O)O LS40008 [0,2,0,0,0,0|1,0,1]=4 70 B5R0.1 CC#CC(=O)O LS40078 [0,2,0,0,0,0|1,0,1]=4 71 B5R0.1 CC(CCO)N LS41893 [0,2,0,0,0,0|1,0,0]=3 72 B5R0.1 CCC[C@@H](C)O LS30259 [0,2,0,0,0,0|0,0,0]=2 73 B5R0.1 CCC[C@H](C)O LS30258 [0,2,0,0,0,0|0,0,0]=2 74 B5R0.1 CN(C)CCCl LS41162 [0,2,0,0,0,0|2,0,0]=4 75 B5R0.1 C[C@@H](CCO)N LS30207 [0,2,0,0,0,0|1,0,0]=3 76 B5R0.1 C[C@H](CCO)N LS30127 [0,2,0,0,0,0|1,0,0]=3 77 B5R0.3 C(C(=O)CO)O LS41177 [0,2,0,0,0,0|0,0,2]=4 78 B5R0.3 C(C(C#N)Cl)Cl LS41727 [0,2,0,0,0,0|1,0,1]=4 79 B5R0.3 C(C(CO)N)O LS41161 [0,2,0,0,0,0|1,0,0]=3 80 B5R0.3 C([C@@H](CCl)O)N LS30231 [0,2,0,0,0,0|0,0,0]=2 81 B5R0.3 C([C@@H](CCl)O)O LS30054 [0,2,0,0,0,0|0,0,0]=2 82 B5R0.3 C([C@@H](CO)O)N LS30120 [0,2,0,0,0,0|0,0,0]=2 83 B5R0.3 C([C@H](CCl)O)O LS30055 [0,2,0,0,0,0|0,0,0]=2 84 B5R0.3 C([C@H](CO)O)N LS30267 [0,2,0,0,0,0|0,0,0]=2 85 B5R0.3 C=C(CBr)CBr LS40790 [0,2,0,0,0,0|1,0,1]=4 86 B5R0.3 C=C(CO)CO LS40793 [0,2,0,0,0,0|0,0,2]=4 87 B5R0.3 CCC(CO)N LS40333 [0,2,0,0,0,0|1,0,0]=3 88 B5R0.3 CC[C@@H](CO)O LS30248 [0,2,0,0,0,0|0,0,0]=2 89 B5R0.3 CC[C@H](CO)O LS30249 [0,2,0,0,0,0|0,0,0]=2 90 B5R0.3 COC(=O)CBr LS40562 [0,2,0,0,0,0|0,0,2]=4 91 B5R0.3 COC(=O)CF LS40581 [0,2,0,0,0,0|0,0,2]=4 92 B5R0.4 C(C(Br)(Br)Br)O LS41233 [0,2,0,0,0,0|2,0,0]=4 93 B5R0.4 C(C(F)(F)F)N LS40949 [0,2,0,0,0,0|2,0,0]=4 94 B5R0.4 C(C(F)(F)F)N LS40950 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.4 CC(C)(C)C=C LS40301 [0,2,0,0,0,0|1,0,0]=3 96 B5R0.4 CC(C)(C)CO LS40233 [0,2,0,0,0,0|0,0,0]=2 97 B5R0.4 CC(C)(CCl)O LS40441 [0,2,0,0,0,0|0,0,0]=2 98 B5R0.4 CC(CO)(F)F LS41182 [0,2,0,0,0,0|1,0,0]=3 99 B5R0.4 CNS(=O)(=O)C LS40122 [0,2,0,0,0,0|1,0,1]=4 100 B5R0.4 C[Si](C)(C)C#C LS40347 [0,2,0,0,0,0|1,1,0]=4 101 B5R0.5 B(C(=C)C)(O)O LS11152 [0,2,0,0,0,0|0,0,2]=4 102 B5R0.5 B(C(C)C)(O)O LS11150 [0,2,0,0,0,0|0,0,0]=2 103 B5R0.5 CC(=O)C(=O)O LS41153 [0,2,0,0,0,0|1,0,1]=4 104 B5R0.5 CC(C(=O)O)Br LS40410 [0,2,0,0,0,0|1,0,0]=3 105 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,2,0,0,0,0|1,0,0]=3 106 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,2,0,0,0,0|1,0,0]=3 107 B5R1.2 C1C(=O)CO1 LS41911 [0,1,0,1,0,0|0,0,2]=4 108 B5R1.2 C1C(=O)CS1 LS40394 [0,1,0,1,0,0|0,0,2]=4 109 B5R1.2 C1C(CN1)O LS40392 [0,1,0,1,0,0|0,0,0]=2 110 B5R1.2 C1C(CO1)I LS41126 [0,1,0,1,0,0|1,0,0]=3 111 B5R1.2 C1CC(=O)C1 LS40231 [0,1,0,1,0,0|0,0,2]=4 112 B5R1.3 C1[C@@H](O1)CCl LS30047 [0,1,0,1,0,0|0,0,0]=2 113 B5R1.3 C1[C@@H](O1)CO LS30048 [0,1,0,1,0,0|0,0,0]=2 114 B5R1.3 C1[C@H](O1)CO LS30049 [0,1,0,1,0,0|0,0,0]=2 115 B5R1.3 CC[C@@H]1CO1 LS30243 [0,1,0,1,0,0|0,0,0]=2 116 B5R1.3 CC[C@H]1CO1 LS30242 [0,1,0,1,0,0|0,0,0]=2