0 B5R0.3 CCC(CC)N D0M [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 CC[C@H](C)CN DCI [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 CC[C@H](C)CN MBA [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 CNC(=O)NC MMU [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 COC(=O)CN MEU [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 B(CC)(O)O 3QD [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 CC(=O)NC NML [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 CC(=O)OO F50 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 CC(=O)O[Hg+] MAC [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 CC(C)C=O 5OZ [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 CC(C)CN IBN [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CC=C(C)C 2MB [1,0,0,0,0,0|1,0,1]=3 12 B4R0.1 CCC(=O)O PPI [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CC[C@H](C)O SBT [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 CN(C)C=O DMF [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CN(C)[Zn]O DOZ [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 CNC(=O)O RGI [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 COC(=O)O 000 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 C[C@@H](C=O)N 5XU [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 C[C@@H](CBr)O EBH [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 C[C@@H](CCl)Cl CP2 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 C[C@@H](CO)N 2A1 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 C[C@@H](CO)O PGO [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 C[C@@H](CO)O PGQ [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 C[C@H](CBr)O 1BP [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 C[C@H](CO)N 2A3 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 C[C@H](CO)O HP3 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 C[C@H](CO)O PGR [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 C[C@H](C[NH3+])O FOP [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 CCCCBr BBU [1,0,0,0,0,0|3,0,0]=4 32 B4R0.2 CCCCC LNK [1,0,0,0,0,0|2,0,0]=3 33 B4R0.2 CCCCN LYT [1,0,0,0,0,0|3,0,0]=4 34 B4R0.2 CCCCO 1BO [1,0,0,0,0,0|3,0,0]=4 35 B4R0.2 CCC[N+]#[C-] NPN [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 CCOCC ETZ [1,0,0,0,0,0|3,0,0]=4 37 B4R0.2 COCCO MXE [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 COCC[O-] MOE [1,0,0,0,0,0|2,0,0]=3 39 B6R0.1 CCC(=O)OCC CA1 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 CCNC(=O)OC MEC [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CCOC(=O)NC EMB [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 CCS[C@H](C)SC 0AJ [0,1,0,0,0,0|0,2,0]=3 43 B6R0.3 CC[C@H](C)C(=O)O SMB [0,1,0,0,0,0|3,0,0]=4 44 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [0,1,0,0,0,0|3,0,0]=4 45 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [0,1,0,0,0,0|3,0,0]=4 46 B6R0.3 C[C@@H](C(=O)O)NC MAA [0,1,0,0,0,0|3,0,0]=4 47 B6R0.3 C[C@@H](C(=O)OC)N MA [0,1,0,0,0,0|2,0,1]=4 48 B6R0.3 C[C@H](C(=O)O)NC 33X [0,1,0,0,0,0|3,0,0]=4 49 B6R0.8 COP(=S)(O)OC DZZ [0,1,0,0,0,0|2,0,0]=3 50 B6R0.9 CCP(CC)CC 3EP [0,1,0,0,0,0|3,0,0]=4 51 B6R0.9 CC[NH+](CC)CC TEA [0,1,0,0,0,0|3,0,0]=4 52 B6R1.2 B1(OCCO1)O SBE [0,0,0,1,0,0|2,0,0]=3 53 B6R1.2 C1CC(=O)OC1 GBL [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 C1CCC(C1)N 1CB [0,0,0,1,0,0|3,0,0]=4 55 B6R1.2 C1CCC(C1)O YEG [0,0,0,1,0,0|3,0,0]=4 56 B3R0.1 C(CBr)O BRJ [2,0,0,0,0,0|2,0,0]=4 57 B3R0.1 C(CO)N ETA [2,0,0,0,0,0|2,0,0]=4 58 B3R0.1 C(CO)O EDO [2,0,0,0,0,0|2,0,0]=4 59 B3R0.1 C(CO)O EGL [2,0,0,0,0,0|2,0,0]=4 60 B3R0.1 C(CS)O BME [2,0,0,0,0,0|2,0,0]=4 61 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|2,0,0]=4 62 B3R0.1 C=CCO 5VQ [2,0,0,0,0,0|1,0,1]=4 63 B3R0.1 CCC#N CNV [2,0,0,0,0,0|2,0,0]=4 64 B3R0.1 CCC=O CBG [2,0,0,0,0,0|2,0,0]=4 65 B3R0.1 CCC=O PNL [2,0,0,0,0,0|2,0,0]=4 66 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|2,0,0]=4 67 B3R0.1 CCCC BUT [2,0,0,0,0,0|1,0,0]=3 68 B3R0.1 CCCC NBU [2,0,0,0,0,0|1,0,0]=3 69 B3R0.1 CCCC SBU [2,0,0,0,0,0|1,0,0]=3 70 B3R0.1 CCCN 3CN [2,0,0,0,0,0|2,0,0]=4 71 B3R0.1 CCCO POL [2,0,0,0,0,0|1,0,0]=3 72 B3R0.1 CCCS XL3 [2,0,0,0,0,0|1,1,0]=4 73 B3R0.1 CCN=O NOE [2,0,0,0,0,0|2,0,0]=4 74 B3R0.1 CCNC ETN [2,0,0,0,0,0|1,0,0]=3 75 B3R0.1 CCOC 2ME [2,0,0,0,0,0|0,0,0]=2 76 B3R0.1 CC[N+]#C ENC [2,0,0,0,0,0|1,0,1]=4 77 B3R0.1 C\C=N\O AXO [2,0,0,0,0,0|2,0,0]=4 78 B3R0.1 O[Fe]O[Fe] OFO [2,0,0,0,0,0|2,0,0]=4 79 B3R0.2 B(O)(O)O BO3 [2,0,0,0,0,0|2,0,0]=4 80 B3R0.2 BN(C)C 7BZ [2,0,0,0,0,0|2,0,0]=4 81 B3R0.2 CC(=C)C MEB [2,0,0,0,0,0|0,0,2]=4 82 B3R0.2 CC(=O)C ACN [2,0,0,0,0,0|0,0,2]=4 83 B3R0.2 CC(=O)O ACY [2,0,0,0,0,0|0,0,2]=4 84 B3R0.2 CC(=O)O CBM [2,0,0,0,0,0|0,0,2]=4 85 B3R0.2 CC(=O)O CM [2,0,0,0,0,0|0,0,2]=4 86 B3R0.2 CC(C)O IOH [2,0,0,0,0,0|0,0,0]=2 87 B3R0.2 CC(C)O IPA [2,0,0,0,0,0|0,0,0]=2 88 B3R0.2 CN(C)C KEN [2,0,0,0,0,0|1,0,0]=3 89 B3R0.2 CS(=O)C DMS [2,0,0,0,0,0|1,0,1]=4 90 B3R0.2 C[P@H](=O)O MPS [2,0,0,0,0,0|1,0,1]=4 91 B3R0.2 C[P@H](=O)O SOM [2,0,0,0,0,0|1,0,1]=4 92 B3R0.2 C[Pb+](C)C PBM [2,0,0,0,0,0|1,0,0]=3 93 B3R0.2 OP(=O)O PHS [2,0,0,0,0,0|2,0,0]=4 94 B3R0.2 O[As](O)O TAS [2,0,0,0,0,0|2,0,0]=4 95 B3R0.2 O[Mo+6](=O)O OMO [2,0,0,0,0,0|2,0,0]=4 96 B3R0.2 O[SH](=O)O SFO [2,0,0,0,0,0|2,0,0]=4 97 B3R0.2 O[Sb](O)O SBO [2,0,0,0,0,0|2,0,0]=4 98 B3R0.2 O[Zn-](O)O ZH3 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 CC(C)CCN LEN [1,1,0,0,0,0|1,0,0]=3 100 B5R0.1 CC(C)CCO IP3 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.1 CCOC(=O)C EEE [1,1,0,0,0,0|0,0,2]=4 102 B5R0.1 CCOC(=O)O 01F [1,1,0,0,0,0|1,0,1]=4 103 B5R0.1 CCO[P@H](=O)O ATJ [1,1,0,0,0,0|2,0,0]=4 104 B5R0.1 C[C@@H](CCO)O BU2 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.1 C[C@H](CC=O)O 5KO [1,1,0,0,0,0|1,0,1]=4 106 B5R0.1 C[C@H](CCO)O BU4 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.4 CC(C)(C#N)O CNH [1,1,0,0,0,0|2,0,0]=4 108 B5R0.4 CC(C)(C)C#N TAN [1,1,0,0,0,0|2,0,0]=4 109 B5R0.4 CC(C)(C)CN NPT [1,1,0,0,0,0|2,0,0]=4 110 B5R0.4 CC(C)(C)[N+]#[C-] TB0 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.4 CC(C)(CN)N 4G6 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.4 CC[Si](C)(C)C CEQ [1,1,0,0,0,0|1,1,0]=4 113 B5R0.4 COP(=O)(O)O KOP [1,1,0,0,0,0|2,0,0]=4 114 B5R0.5 CC(=O)N(C)C 5Y9 [1,1,0,0,0,0|2,0,0]=4 115 B5R0.5 CC(C)C(=O)N IBO [1,1,0,0,0,0|2,0,0]=4 116 B5R0.5 CC(C)C(=O)O ALQ [1,1,0,0,0,0|2,0,0]=4 117 B5R0.5 CC(C)C(=O)O ISB [1,1,0,0,0,0|2,0,0]=4 118 B5R0.5 CC(C)[C@@H](C)N CDE [1,1,0,0,0,0|1,0,0]=3 119 B5R0.5 CC(C)[N+](=O)[O-] NIS [1,1,0,0,0,0|2,0,0]=4 120 B5R0.5 C[C@@H](C(=O)C)N ALM [1,1,0,0,0,0|2,0,0]=4 121 B5R0.5 C[C@@H](C(=O)C)O HBS [1,1,0,0,0,0|1,0,0]=3 122 B5R0.5 C[C@@H](C(=O)O)O 2OP [1,1,0,0,0,0|2,0,0]=4 123 B5R0.5 C[C@@H](C(O)O)N ALV [1,1,0,0,0,0|2,0,0]=4 124 B5R0.5 C[C@@H]([C@H](C)O)O BUD [1,1,0,0,0,0|1,0,0]=3 125 B5R0.5 C[C@H](C(=O)C)O HBR [1,1,0,0,0,0|1,0,0]=3 126 B5R0.5 C[C@H](C(=O)O)O DLA [1,1,0,0,0,0|2,0,0]=4 127 B5R0.5 C[C@H](C(=O)O)O LAC [1,1,0,0,0,0|2,0,0]=4 128 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [1,1,0,0,0,0|1,0,0]=3 129 B5R0.5 C[C@H]([C@H](C)O)O BU9 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.2 C(CN)CON XAP [1,1,0,0,0,0|2,0,0]=4 131 B5R0.2 CCCCCBr 5BR [1,1,0,0,0,0|2,0,0]=4 132 B5R0.2 CCCCCC HEX [1,1,0,0,0,0|2,0,0]=4 133 B5R0.2 CCCCCCl 7CL [1,1,0,0,0,0|2,0,0]=4 134 B5R0.2 CCCCCN AML [1,1,0,0,0,0|2,0,0]=4 135 B5R0.2 CCCCCO PE9 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.2 CCOCCO ETX [1,1,0,0,0,0|2,0,0]=4 137 B5R0.2 CNCCCN N3D [1,1,0,0,0,0|2,0,0]=4 138 B5R0.2 COCCOC DXE [1,1,0,0,0,0|0,0,0]=2 139 B7R0.7 CC(CCO)CCO 40S [0,2,0,0,0,0|2,0,0]=4 140 B7R0.7 CCOP(=O)OCC DEP [0,2,0,0,0,0|2,0,0]=4 141 B7R0.18 COP(=O)(OC)OC TZZ [0,2,0,0,0,0|1,0,0]=3 142 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|2,0,0]=4 143 B5R1.1 C1CCNC1 VES [1,0,0,1,0,0|2,0,0]=4 144 B5R1.1 C1CCOC1 FU1 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.1 C1C[C@H](NC1)CN P2Y [0,1,0,1,0,0|2,0,0]=4