0 B4R0.1 B(CC)(O)O LS11146 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C(C(=O)Cl)Br LS40185 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 C(C(=O)N)I LS41576 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C(C(=O)[O-])Br LS41065 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 CC(=C)CO LS40522 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 CC(=NO)C LS00155 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 CC(CCl)Cl LS40550 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC[C@@H](C)O LS30261 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 CC[C@H](C)O LS30260 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 COC(Cl)Cl LS00123 [0,0,0,0,0,0|2,1,1]=4 10 B4R0.1 C[C@@H](CCl)O LS30025 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 C[C@@H](CO)Cl LS30257 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C[C@@H](CO)N LS30252 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 C[C@@H](CO)O LS30238 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 C[C@H](CCl)O LS30026 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 C[C@H](CO)Cl LS30085 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 C[C@H](CO)N LS30253 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 C[C@H](CO)O LS30239 [0,0,0,0,0,0|2,0,2]=4 18 B3R0.1 CCNN LS40292 [1,0,0,0,0,0|2,0,1]=4 19 B3R0.1 CNOC LS41340 [1,0,0,0,0,0|1,1,0]=3 20 B3R0.2 B(C)(O)O LS11144 [1,0,0,0,0,0|1,1,1]=4 21 B3R0.2 BN(C)C LS00132 [1,0,0,0,0,0|2,0,0]=3 22 B3R0.2 C(=N)(N)Cl LS41086 [1,0,0,0,0,0|3,0,0]=4 23 B3R0.2 C(=O)(O)[O-] LS60311 [1,0,0,0,0,0|1,1,0]=3 24 B3R0.2 CC(=O)O LS00077 [1,0,0,0,0,0|0,1,0]=2 25 B3R0.2 CC(=O)[O-] LS60288 [1,0,0,0,0,0|0,1,0]=2 26 B3R0.2 CC(=O)[O-] LS60289 [1,0,0,0,0,0|0,1,0]=2 27 B3R0.2 CC(=O)[O-] LS60314 [1,0,0,0,0,0|0,1,0]=2 28 B3R0.2 CC(C)[O-] LS60292 [1,0,0,0,0,0|0,0,2]=3 29 B3R0.2 CN(C)C LS41629 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.2 CP(C)C LS41013 [1,0,0,0,0,0|2,0,0]=3 31 B3R0.2 [N+](=O)([O-])[O-] LS60312 [1,0,0,0,0,0|2,1,0]=4 32 B3R0.2 [O-]I(=O)=O LS41974 [1,0,0,0,0,0|2,1,0]=4 33 B3R0.2 [O-]I(=O)=O LS41976 [1,0,0,0,0,0|2,1,0]=4 34 B3R0.2 [O-]P(=O)=O LS60296 [1,0,0,0,0,0|2,1,0]=4 35 B5R0.1 C(C#N)C(=O)N LS41191 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.1 C(CO)C(=O)O LS40008 [0,1,0,0,0,0|2,0,0]=3 38 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [0,1,0,0,0,0|3,0,0]=4 39 B5R0.1 CC#CC(=O)O LS40078 [0,1,0,0,0,0|2,0,0]=3 40 B5R0.1 CC(CCO)N LS41893 [0,1,0,0,0,0|2,0,1]=4 41 B5R0.1 CCC[C@@H](C)O LS30259 [0,1,0,0,0,0|1,0,2]=4 42 B5R0.1 CCC[C@H](C)O LS30258 [0,1,0,0,0,0|1,0,2]=4 43 B5R0.1 CN(C)CCCl LS41162 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.1 C[C@@H](CCO)N LS30207 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.1 C[C@H](CCO)N LS30127 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.3 C(C(=O)CO)O LS41177 [0,1,0,0,0,0|2,0,0]=3 47 B5R0.3 C=C(CBr)CBr LS40790 [0,1,0,0,0,0|3,0,0]=4 48 B5R0.3 C=C(CO)CO LS40793 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.3 CCC(CO)N LS40333 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.3 CC[C@@H](CO)O LS30248 [0,1,0,0,0,0|1,0,2]=4 51 B5R0.3 CC[C@H](CO)O LS30249 [0,1,0,0,0,0|1,0,2]=4 52 B5R0.3 COC(=O)C#C LS40367 [0,1,0,0,0,0|0,1,1]=3 53 B5R0.3 COC(=O)CBr LS40562 [0,1,0,0,0,0|0,1,0]=2 54 B5R0.3 COC(=O)CF LS40581 [0,1,0,0,0,0|0,1,0]=2 55 B5R0.4 CNS(=O)(=O)C LS40122 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.5 B(C(=C)C)(O)O LS11152 [0,1,0,0,0,0|3,0,0]=4 57 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,1,0,0,0,0|3,0,0]=4 58 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,1,0,0,0,0|3,0,0]=4 59 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,1,0,0,0,0|3,0,0]=4 63 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,1,0,0,0,0|3,0,0]=4 65 B5R0.5 CC(=O)C(=O)O LS41153 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.5 CC(C(=O)O)Br LS40410 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,1,0,0,0,0|2,0,0]=3 73 B5R1.2 C1C(=O)CO1 LS41911 [0,0,0,1,0,0|2,0,0]=3 74 B5R1.2 C1C(=O)CS1 LS40394 [0,0,0,1,0,0|2,0,0]=3 75 B5R1.2 C1CC(=O)C1 LS40231 [0,0,0,1,0,0|1,0,0]=2 76 B5R1.3 CC[C@@H]1CO1 LS30243 [0,0,0,1,0,0|1,0,2]=4 77 B5R1.3 CC[C@H]1CO1 LS30242 [0,0,0,1,0,0|1,0,2]=4 78 B2R0.1 C(=O)[O-] LS60287 [2,0,0,0,0,0|0,1,0]=3 79 B2R0.1 C(=O)[O-] LS60313 [2,0,0,0,0,0|0,1,0]=3 80 B2R0.1 [O-]P=O LS00029 [2,0,0,0,0,0|1,1,0]=4 81 B2R0.1 [O-]P=O LS41874 [2,0,0,0,0,0|1,1,0]=4 82 B4R0.2 C=CCCBr LS20765 [1,1,0,0,0,0|1,0,1]=4 83 B4R0.2 C=CCCO LS40761 [1,1,0,0,0,0|1,0,1]=4 84 B4R0.2 CNCCO LS40382 [1,1,0,0,0,0|1,0,1]=4 85 B4R0.2 COCCBr LS40281 [1,1,0,0,0,0|0,1,1]=4 86 B4R0.3 CC(C)(C)[O-] LS60293 [1,1,0,0,0,0|0,0,2]=4 87 B4R0.3 C[As](=O)(C)[O-] LS41740 [1,1,0,0,0,0|1,0,0]=3 88 B4R0.3 C[N+](C)(C)C LS00070 [1,1,0,0,0,0|2,0,0]=4 89 B4R0.3 C[S+](=O)(C)C LS41693 [1,1,0,0,0,0|1,0,0]=3 90 B4R0.3 C[S+](=O)(C)C LS41694 [1,1,0,0,0,0|1,0,0]=3 91 B4R0.3 C[Si](C)(C)Br LS40381 [1,1,0,0,0,0|1,1,0]=4 92 B6R0.1 CCOC(=O)CBr LS40563 [0,2,0,0,0,0|0,1,0]=3 93 B6R0.1 CCOC(=O)CF LS40582 [0,2,0,0,0,0|0,1,0]=3 94 B6R0.1 CCOC(=O)OC LS41158 [0,2,0,0,0,0|0,1,0]=3 95 B6R0.1 CNC(=O)CC#N LS41677 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.1 COC(=N)CCCl LS40140 [0,2,0,0,0,0|1,1,0]=4 97 B6R0.1 C\C(=N/C#N)\OC LS41000 [0,2,0,0,0,0|1,1,0]=4 98 B6R0.2 CC(=O)NC(=N)N LS40272 [0,2,0,0,0,0|1,0,1]=4 99 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,2,0,0,0,0|2,0,0]=4 100 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,2,0,0,0,0|2,0,0]=4 101 B6R0.3 CC(=C)C(=O)NC LS41593 [0,2,0,0,0,0|1,0,0]=3 102 B6R0.3 CC(=O)N(C)OC LS41178 [0,2,0,0,0,0|0,1,0]=3 103 B6R0.3 CCC(=O)C(=O)O LS41883 [0,2,0,0,0,0|1,0,1]=4 104 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,2,0,0,0,0|1,0,1]=4 105 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,2,0,0,0,0|2,0,0]=4 106 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.3 COC(=O)C(=C)F LS41928 [0,2,0,0,0,0|0,1,1]=4 108 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,2,0,0,0,0|0,1,0]=3 109 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.4 C=CCCC(=O)O LS41473 [0,2,0,0,0,0|2,0,0]=4 111 B6R0.5 CS(=O)(=O)CCN LS40305 [0,2,0,0,0,0|2,0,0]=4 112 B6R0.7 CC(C)(C(=O)O)N LS41573 [0,2,0,0,0,0|2,0,0]=4 113 B4R1.2 CC1=CC1 LS00107 [1,0,0,1,0,0|1,0,0]=3 114 B4R1.2 C[C@@H]1CO1 LS30241 [1,0,0,1,0,0|0,1,1]=4 115 B4R1.2 C[C@H]1CO1 LS30240 [1,0,0,1,0,0|0,1,1]=4 116 B6R1.2 C1CC(=O)OC1 LS40356 [0,1,0,1,0,0|0,1,0]=3 117 B6R1.2 C1CNCC1=O LS20898 [0,1,0,1,0,0|1,0,0]=3 118 B6R1.2 C1COCC1=O LS21051 [0,1,0,1,0,0|0,1,0]=3 119 B6R1.2 C1CSCC1=O LS40268 [0,1,0,1,0,0|0,0,0]=2 120 B6R1.2 CC1=NCCC1 LS20850 [0,1,0,1,0,0|2,0,0]=4 121 B6R1.2 Cc1cccs1 LS20640 [0,1,0,1,0,0|1,0,1]=4 122 B6R1.11 C1CC1C(=O)Cl LS40512 [0,1,0,1,0,0|2,0,0]=4 123 B6R1.11 C1CC1C(=O)N LS40035 [0,1,0,1,0,0|2,0,0]=4 124 B6R1.11 C1CC1C(=O)O LS41647 [0,1,0,1,0,0|2,0,0]=4