0 B4R0.1 CC(=C)CO LS40522 [0,0,0,0,0,0|0,0,4]=4 1 B4R0.1 CC(=NO)C LS00155 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.1 CC(CCl)Cl LS40550 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC[C@@H](C)O LS30261 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 CC[C@H](C)O LS30260 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 COC(Cl)Cl LS00123 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 C[C@@H](CCl)O LS30025 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C[C@@H](CO)Cl LS30257 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 C[C@@H](CO)N LS30252 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 C[C@@H](CO)O LS30238 [0,0,0,0,0,0|1,0,2]=3 10 B4R0.1 C[C@H](CCl)O LS30026 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C[C@H](CO)Cl LS30085 [0,0,0,0,0,0|1,0,2]=3 12 B4R0.1 C[C@H](CO)N LS30253 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 C[C@H](CO)O LS30239 [0,0,0,0,0,0|1,0,2]=3 14 B3R0.1 C(CCl)N LS40418 [1,0,0,0,0,0|2,0,1]=4 15 B3R0.1 C(CF)O LS40655 [1,0,0,0,0,0|1,0,2]=4 16 B3R0.1 C(CO)N LS41686 [1,0,0,0,0,0|1,0,2]=4 17 B3R0.1 CCNN LS40292 [1,0,0,0,0,0|2,0,0]=3 18 B3R0.1 CNOC LS41340 [1,0,0,0,0,0|3,0,0]=4 19 B3R0.2 B(C)(O)O LS11144 [1,0,0,0,0,0|2,0,1]=4 20 B3R0.2 BN(C)C LS00132 [1,0,0,0,0,0|2,0,0]=3 21 B3R0.2 C(=O)(O)[O-] LS60311 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.2 CC(=O)O LS00077 [1,0,0,0,0,0|1,0,1]=3 23 B3R0.2 CC(=O)[O-] LS60288 [1,0,0,0,0,0|1,0,1]=3 24 B3R0.2 CC(=O)[O-] LS60289 [1,0,0,0,0,0|1,0,1]=3 25 B3R0.2 CC(=O)[O-] LS60314 [1,0,0,0,0,0|1,0,1]=3 26 B3R0.2 CC(C)[O-] LS60292 [1,0,0,0,0,0|0,0,1]=2 27 B3R0.2 CN(C)C LS41629 [1,0,0,0,0,0|1,0,1]=3 28 B3R0.2 CP(C)C LS41013 [1,0,0,0,0,0|1,0,1]=3 29 B3R0.2 [N+](=O)([O-])[O-] LS60312 [1,0,0,0,0,0|3,0,0]=4 30 B3R0.2 [O-]I(=O)=O LS41974 [1,0,0,0,0,0|3,0,0]=4 31 B3R0.2 [O-]I(=O)=O LS41976 [1,0,0,0,0,0|3,0,0]=4 32 B3R0.2 [O-]P(=O)=O LS60296 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 CC(CCO)N LS41893 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.1 CCC[C@@H](C)O LS30259 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.1 CCC[C@H](C)O LS30258 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 CN(C)CCCl LS41162 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.1 C[C@@H](CCO)N LS30207 [0,1,0,0,0,0|1,0,2]=4 38 B5R0.1 C[C@H](CCO)N LS30127 [0,1,0,0,0,0|1,0,2]=4 39 B5R0.3 C(C(C#N)Cl)Cl LS41727 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.3 C(C(CO)N)O LS41161 [0,1,0,0,0,0|1,0,2]=4 41 B5R0.3 C([C@@H](CCl)O)N LS30231 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.3 C([C@@H](CCl)O)O LS30054 [0,1,0,0,0,0|1,0,2]=4 43 B5R0.3 C([C@@H](CO)O)N LS30120 [0,1,0,0,0,0|1,0,2]=4 44 B5R0.3 C([C@H](CCl)O)O LS30055 [0,1,0,0,0,0|1,0,2]=4 45 B5R0.3 C([C@H](CO)O)N LS30267 [0,1,0,0,0,0|1,0,2]=4 46 B5R0.3 CCC(CO)N LS40333 [0,1,0,0,0,0|1,0,2]=4 47 B5R0.3 CC[C@@H](CO)O LS30248 [0,1,0,0,0,0|1,0,2]=4 48 B5R0.3 CC[C@H](CO)O LS30249 [0,1,0,0,0,0|1,0,2]=4 49 B5R0.4 C(=O)C(Br)(Br)Br LS41234 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.4 CC(C)(C)C=C LS40301 [0,1,0,0,0,0|1,0,0]=2 51 B5R0.4 CC(C)(C)CO LS40233 [0,1,0,0,0,0|0,0,2]=3 52 B5R0.4 CC(C)(CCl)O LS40441 [0,1,0,0,0,0|1,0,1]=3 53 B5R0.4 CC(CO)(F)F LS41182 [0,1,0,0,0,0|1,0,2]=4 54 B5R0.4 C[Si](C)(C)C#C LS40347 [0,1,0,0,0,0|1,1,1]=4 55 B5R0.5 B(C(C)C)(O)O LS11150 [0,1,0,0,0,0|1,0,1]=3 56 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,1,0,0,0,0|2,0,1]=4 61 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,1,0,0,0,0|2,0,1]=4 63 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.5 CC(=O)C(=O)O LS41153 [0,1,0,0,0,0|1,0,1]=3 65 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,1,0,0,0,0|1,0,1]=3 66 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,1,0,0,0,0|1,0,1]=3 67 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,1,0,0,0,0|1,0,1]=3 68 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,1,0,0,0,0|1,0,1]=3 69 B5R0.5 CC(C(=O)O)Br LS40410 [0,1,0,0,0,0|1,0,0]=2 70 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,1,0,0,0,0|1,0,0]=2 71 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,1,0,0,0,0|1,0,0]=2 72 B5R1.2 C1C(CN1)O LS40392 [0,0,0,1,0,0|2,0,1]=4 73 B5R1.2 C1C(CO1)I LS41126 [0,0,0,1,0,0|1,0,2]=4 74 B5R1.3 C1[C@@H](O1)CCl LS30047 [0,0,0,1,0,0|2,0,1]=4 75 B5R1.3 C1[C@@H](O1)CO LS30048 [0,0,0,1,0,0|1,0,2]=4 76 B5R1.3 C1[C@H](O1)CO LS30049 [0,0,0,1,0,0|1,0,2]=4 77 B5R1.3 CC[C@@H]1CO1 LS30243 [0,0,0,1,0,0|2,0,1]=4 78 B5R1.3 CC[C@H]1CO1 LS30242 [0,0,0,1,0,0|2,0,1]=4 79 B2R0.1 C(=O)[O-] LS60287 [2,0,0,0,0,0|1,0,0]=3 80 B2R0.1 C(=O)[O-] LS60313 [2,0,0,0,0,0|1,0,0]=3 81 B2R0.1 [O-]P=O LS00029 [2,0,0,0,0,0|2,0,0]=4 82 B2R0.1 [O-]P=O LS41874 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.2 C(CF)CF LS40664 [1,1,0,0,0,0|1,0,1]=4 84 B4R0.2 C(CN)CBr LS00114 [1,1,0,0,0,0|1,0,1]=4 85 B4R0.2 C(CO)CF LS40656 [1,1,0,0,0,0|0,0,2]=4 86 B4R0.2 C=CCCBr LS20765 [1,1,0,0,0,0|1,0,0]=3 87 B4R0.2 C=CCCO LS40761 [1,1,0,0,0,0|1,0,0]=3 88 B4R0.2 CNCCO LS40382 [1,1,0,0,0,0|0,0,2]=4 89 B4R0.2 COCCBr LS40281 [1,1,0,0,0,0|1,0,1]=4 90 B4R0.3 CC(C)(C)[O-] LS60293 [1,1,0,0,0,0|0,0,1]=3 91 B4R0.3 C[As](=O)(C)[O-] LS41740 [1,1,0,0,0,0|1,0,0]=3 92 B4R0.3 C[N+](C)(C)C LS00070 [1,1,0,0,0,0|1,0,1]=4 93 B4R0.3 C[S+](=O)(C)C LS41693 [1,1,0,0,0,0|1,0,0]=3 94 B4R0.3 C[S+](=O)(C)C LS41694 [1,1,0,0,0,0|1,0,0]=3 95 B4R0.3 C[Si](C)(C)Br LS40381 [1,1,0,0,0,0|0,1,1]=4 96 B6R0.2 B(CC(C)C)(O)O LS40457 [0,2,0,0,0,0|0,0,2]=4 97 B6R0.2 CC(C)CC(C)N LS41472 [0,2,0,0,0,0|1,0,1]=4 98 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,2,0,0,0,0|1,0,0]=3 99 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.3 B(C(C)CC)(O)O LS11154 [0,2,0,0,0,0|1,0,1]=4 101 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,2,0,0,0,0|1,0,1]=4 102 B6R0.3 CC(=C)C(=O)NC LS41593 [0,2,0,0,0,0|0,0,2]=4 103 B6R0.3 CC(=O)N(C)OC LS41178 [0,2,0,0,0,0|1,0,0]=3 104 B6R0.3 CCC(=O)C(=O)O LS41883 [0,2,0,0,0,0|1,0,1]=4 105 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.5 C(C=O)C(F)(F)F LS40954 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.5 CC(C)(C)CC=O LS40274 [0,2,0,0,0,0|0,0,0]=2 111 B6R0.5 C[Si](C)(C)CC=C LS40348 [0,2,0,0,0,0|1,1,0]=4 112 B6R0.8 CC(C)(CO)OC LS40980 [0,2,0,0,0,0|0,0,2]=4 113 B6R0.9 COC(CBr)OC LS41675 [0,2,0,0,0,0|1,0,1]=4 114 B6R0.7 C(=O)(C(Br)(Br)Br)O LS41232 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.7 C(=O)(C(Cl)(Cl)Cl)Cl LS40687 [0,2,0,0,0,0|2,0,0]=4 116 B6R0.7 C(=O)(C(F)(F)F)N LS40728 [0,2,0,0,0,0|2,0,0]=4 117 B6R0.7 CC(C)(C(=O)O)N LS41573 [0,2,0,0,0,0|0,0,0]=2 118 B6R0.7 CC(C)(C)[S@@](=O)N LS30100 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.7 CC(C)(C)[S@](=O)N LS30101 [0,2,0,0,0,0|1,0,0]=3 120 B4R1.2 CC1=CC1 LS00107 [1,0,0,1,0,0|1,0,1]=4 121 B4R1.2 C[C@@H]1CO1 LS30241 [1,0,0,1,0,0|0,0,2]=4 122 B4R1.2 C[C@H]1CO1 LS30240 [1,0,0,1,0,0|0,0,2]=4 123 B6R1.11 B(C1CC1)(O)O LS00024 [0,1,0,1,0,0|1,0,1]=4 124 B6R1.11 C1CC1C(=O)Cl LS40512 [0,1,0,1,0,0|0,0,0]=2 125 B6R1.11 C1CC1C(=O)N LS40035 [0,1,0,1,0,0|0,0,0]=2 126 B6R1.11 C1CC1C(=O)O LS41647 [0,1,0,1,0,0|0,0,0]=2 127 B6R1.6 C1CC(C1)CBr LS40121 [0,1,0,1,0,0|1,0,1]=4 128 B6R1.6 C1CC(C1)CN LS40614 [0,1,0,1,0,0|1,0,1]=4 129 B6R1.6 C1CC(C1)CN LS40654 [0,1,0,1,0,0|1,0,1]=4 130 B6R1.6 C1CC(C1)CO LS41574 [0,1,0,1,0,0|0,0,2]=4 131 B6R1.7 C#CC1(CC1)N LS41861 [0,1,0,1,0,0|1,0,1]=4 132 B6R1.7 C1CC1(C#N)N LS40060 [0,1,0,1,0,0|1,0,1]=4 133 B6R1.7 CC1(CO1)CCl LS40232 [0,1,0,1,0,0|0,0,2]=4