0 B5R0.5 BrC(=C)C(=O)N 1P00ICIE [0,0,0,0,0,0|2,0,2]=4 1 B5R0.5 BrC(=C)C(=O)O 1P003H7Y [0,0,0,0,0,0|1,0,2]=3 2 B5R0.5 BrC(=O)C(Br)C 1P003H9L [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 BrC(C(=O)C)Br 1P008FOH [0,0,0,0,0,0|3,0,0]=3 4 B5R0.5 CC(=C(C)C)Br 1P003H3O [0,0,0,0,0,0|3,0,1]=4 5 B5R0.5 CC(=C(C)C)C 1P003656 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.5 CC(=C)C(=C)C 1P003G0E [0,0,0,0,0,0|3,0,1]=4 7 B5R0.5 CC(=C)C(=O)N 1P003RY9 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.5 CC(=C)C(=O)O 1P0036XE [0,0,0,0,0,0|1,0,1]=2 9 B5R0.5 CC(=C)C(=O)[O-] 1P0010CG [0,0,0,0,0,0|1,0,2]=3 10 B5R0.5 CC(=C)C(=O)[O-] 1P00111N [0,0,0,0,0,0|1,0,2]=3 11 B5R0.5 CC(=C)C(=O)[O-] 1P001Y9T [0,0,0,0,0,0|1,0,2]=3 12 B5R0.5 CC(=C)C(=O)[O-] 1P003UTP [0,0,0,0,0,0|1,0,2]=3 13 B5R0.5 CC(=C)C(=O)[O-] 1P005QHJ [0,0,0,0,0,0|1,0,2]=3 14 B5R0.5 CC(=C)C(=O)[O-] 1P005ZNF [0,0,0,0,0,0|1,0,2]=3 15 B5R0.5 CC(=C)C(C)C 1P003G0F [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 CC(=C)C(O)C 1P007H42 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 CC(=N)N(C)C 1P01A0N1 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.5 CC(=O)C(=C)C 1P003K68 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.5 CC(=O)C(=O)[O-] 1P002Y88 [0,0,0,0,0,0|0,0,3]=3 20 B5R0.5 CC(=O)C(=O)[O-] 1P003P54 [0,0,0,0,0,0|0,0,3]=3 21 B5R0.5 CC(=O)C(=O)[O-] 1P003UJW [0,0,0,0,0,0|0,0,3]=3 22 B5R0.5 CC(=O)C(=S)N 1P01A3YH [0,0,0,0,0,0|1,1,2]=4 23 B5R0.5 CC(=O)C(Br)C 1P003JKY [0,0,0,0,0,0|2,0,0]=2 24 B5R0.5 CC(=O)C(C)C 1P0037OJ [0,0,0,0,0,0|2,0,0]=2 25 B5R0.5 CC(=O)C(Cl)C 1P003ECT [0,0,0,0,0,0|2,0,0]=2 26 B5R0.5 CC(=O)C(O)C 1P00DMTO [0,0,0,0,0,0|1,0,0]=1 27 B5R0.5 CC(=O)C(S)C 1P00BXSU [0,0,0,0,0,0|1,1,0]=2 28 B5R0.5 CC(=O)N(C)C 1P000WZ3 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.5 CC(=O)N(N)C 1P01B894 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.5 CC(=O)N(O)C 1P000W3Q [0,0,0,0,0,0|2,0,0]=2 31 B5R0.5 CC(=O)[C@@H](N)C 1P00IA8G [0,0,0,0,0,0|2,0,0]=2 32 B5R0.5 CC(=O)[NH+](C)C 1P003OS1 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.5 CC(=S)N(C)C 1P003T2C [0,0,0,0,0,0|3,1,0]=4 34 B5R0.5 CC(C(=C)Br)O 1P027Y79 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.5 CC(C(=N)N)C 1P00BDNQ [0,0,0,0,0,0|3,0,0]=3 36 B5R0.5 CC(C(=N)N)Cl 1P018SQA [0,0,0,0,0,0|3,0,0]=3 37 B5R0.5 CC(C(=N)N)O 1P00H5D2 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.5 CC(C(=N)N)O 1P00J38B [0,0,0,0,0,0|2,0,0]=2 39 B5R0.5 CC(C(=O)Br)C 1P003RK5 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.5 CC(C(=O)Cl)Br 1P003BND [0,0,0,0,0,0|2,0,0]=2 41 B5R0.5 CC(C(=O)Cl)C 1P003RK6 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.5 CC(C(=O)N)Br 1P003H9I [0,0,0,0,0,0|2,0,0]=2 43 B5R0.5 CC(C(=O)N)C 1P003RJZ [0,0,0,0,0,0|2,0,0]=2 44 B5R0.5 CC(C(=O)N)Cl 1P002V9S [0,0,0,0,0,0|2,0,0]=2 45 B5R0.5 CC(C(=O)N)I 1P002G87 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.5 CC(C(=O)N)O 1P0029VL [0,0,0,0,0,0|1,0,0]=1 47 B5R0.5 CC(C(=O)O)Br 1P003H9J [0,0,0,0,0,0|1,0,0]=1 48 B5R0.5 CC(C(=O)O)C 1P003729 [0,0,0,0,0,0|1,0,0]=1 49 B5R0.5 CC(C(=O)O)C 1P01D9JB [0,0,0,0,0,0|1,0,0]=1 50 B5R0.5 CC(C(=O)O)F 1P0032QG [0,0,0,0,0,0|1,0,0]=1 51 B5R0.5 CC(C(=O)O)N 1P01ELSY [0,0,0,0,0,0|1,0,0]=1 52 B5R0.5 CC(C(=O)S)C 1P00E3N5 [0,0,0,0,0,0|1,1,0]=2 53 B5R0.5 CC(C(=O)[O-])C 1P002R83 [0,0,0,0,0,0|1,0,1]=2 54 B5R0.5 CC(C(=O)[O-])C 1P003RK3 [0,0,0,0,0,0|1,0,1]=2 55 B5R0.5 CC(C(=O)[O-])O 1P001SCZ [0,0,0,0,0,0|0,0,1]=1 56 B5R0.5 CC(C(=O)[O-])O 1P002IGC [0,0,0,0,0,0|0,0,1]=1 57 B5R0.5 CC(C(=O)[O-])O 1P002IGD [0,0,0,0,0,0|0,0,1]=1 58 B5R0.5 CC(C(=O)[O-])O 1P003P4S [0,0,0,0,0,0|0,0,1]=1 59 B5R0.5 CC(C(=O)[O-])O 1P00IAYP [0,0,0,0,0,0|0,0,1]=1 60 B5R0.5 CC(C(=O)[O-])O 1P01KKX9 [0,0,0,0,0,0|0,0,1]=1 61 B5R0.5 CC(C(=S)N)C 1P0033V4 [0,0,0,0,0,0|2,1,0]=3 62 B5R0.5 CC(C(=S)N)O 1P028CIM [0,0,0,0,0,0|1,1,0]=2 63 B5R0.5 CC(C(Br)C)Br 1P003FXK [0,0,0,0,0,0|3,0,1]=4 64 B5R0.5 CC(C(C)C)Br 1P0024QT [0,0,0,0,0,0|3,0,1]=4 65 B5R0.5 CC(C(C)C)Cl 1P00ERNM [0,0,0,0,0,0|3,0,1]=4 66 B5R0.5 CC(C(C)C)I 1P0024QS [0,0,0,0,0,0|3,0,1]=4 67 B5R0.5 CC(C(C)C)N 1P003DVC [0,0,0,0,0,0|3,0,1]=4 68 B5R0.5 CC(C(C)C)O 1P00E9KB [0,0,0,0,0,0|2,0,1]=3 69 B5R0.5 CC(C(C)C)S 1P002K5G [0,0,0,0,0,0|2,1,1]=4 70 B5R0.5 CC(C(Cl)C)Cl 1P003FY9 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.5 CC(C(F)F)N 1P019UJV [0,0,0,0,0,0|3,0,1]=4 72 B5R0.5 CC(C(F)F)O 1P01B1S8 [0,0,0,0,0,0|2,0,1]=3 73 B5R0.5 CC(C(N)C)Br 1P01B79U [0,0,0,0,0,0|3,0,1]=4 74 B5R0.5 CC(C(N)C)Br 1P028TZD [0,0,0,0,0,0|3,0,1]=4 75 B5R0.5 CC(C(N)C)F 1P0280UG [0,0,0,0,0,0|3,0,1]=4 76 B5R0.5 CC(C(N)C)N 1P01BE8I [0,0,0,0,0,0|3,0,1]=4 77 B5R0.5 CC(C(N)C)O 1P0072BN [0,0,0,0,0,0|2,0,1]=3 78 B5R0.5 CC(C(O)C)Br 1P00ER4N [0,0,0,0,0,0|2,0,1]=3 79 B5R0.5 CC(C(O)C)O 1P0032PK [0,0,0,0,0,0|1,0,1]=2 80 B5R0.5 CC(C(O)C)S 1P003K2Y [0,0,0,0,0,0|1,1,1]=3 81 B5R0.5 CC(C(S)C)S 1P003G00 [0,0,0,0,0,0|1,2,1]=4 82 B5R0.5 CC(N(=O)=O)C 1P003I9T [0,0,0,0,0,0|2,0,1]=3 83 B5R0.5 CC(S(=O)Cl)C 1P00CMZT [0,0,0,0,0,0|3,0,0]=3 84 B5R0.5 CC(S(=O)N)C 1P01BFW0 [0,0,0,0,0,0|3,0,0]=3 85 B5R0.5 CC(S(=O)[O-])C 1P00C6Z1 [0,0,0,0,0,0|2,0,1]=3 86 B5R0.5 CN(C(=N)N)C 1P00BRW7 [0,0,0,0,0,0|4,0,0]=4 87 B5R0.5 CN(C(=N)N)C 1P00E994 [0,0,0,0,0,0|4,0,0]=4 88 B5R0.5 CN(C(=N)N)C 1P00E9AV [0,0,0,0,0,0|4,0,0]=4 89 B5R0.5 CN(C(=O)Cl)C 1P003Q3S [0,0,0,0,0,0|3,0,0]=3 90 B5R0.5 CN(C(=O)N)C 1P0032OO [0,0,0,0,0,0|3,0,0]=3 91 B5R0.5 CN(C(=O)O)C 1P003Q0Z [0,0,0,0,0,0|2,0,0]=2 92 B5R0.5 CN(C(=S)Cl)C 1P007C88 [0,0,0,0,0,0|3,1,0]=4 93 B5R0.5 CN(C(=S)N)C 1P00371O [0,0,0,0,0,0|3,1,0]=4 94 B5R0.5 CN(C(=S)S)C 1P003Q3W [0,0,0,0,0,0|2,2,0]=4 95 B5R0.5 CN(C(=S)[S-])C 1P000Y4S [0,0,0,0,0,0|2,2,0]=4 96 B5R0.5 CN(C(=S)[S-])C 1P002JDK [0,0,0,0,0,0|2,2,0]=4 97 B5R0.5 CN(C(=S)[S-])C 1P00811L [0,0,0,0,0,0|2,2,0]=4 98 B5R0.5 CN(C(C)C)C 1P003T1Y [0,0,0,0,0,0|4,0,0]=4 99 B5R0.5 CP(=O)C(C)C 1P02886T [0,0,0,0,0,0|3,0,0]=3 100 B5R0.5 C[C@@H](C(=N)N)O 1P009I1C [0,0,0,0,0,0|2,0,0]=2 101 B5R0.5 C[C@@H](C(=O)N)O 1P003CUT [0,0,0,0,0,0|1,0,0]=1 102 B5R0.5 C[C@@H](C(=O)O)Br 1P003CU9 [0,0,0,0,0,0|1,0,0]=1 103 B5R0.5 C[C@@H](C(=O)O)Cl 1P002ZDF [0,0,0,0,0,0|1,0,0]=1 104 B5R0.5 C[C@@H](C(=O)O)F 1P00F1Z5 [0,0,0,0,0,0|1,0,0]=1 105 B5R0.5 C[C@@H](C(=O)O)N 1P003RNW [0,0,0,0,0,0|1,0,0]=1 106 B5R0.5 C[C@@H](C(=O)O)N 1P00E9HQ [0,0,0,0,0,0|1,0,0]=1 107 B5R0.5 C[C@@H](C(C)C)N 1P00J87H [0,0,0,0,0,0|3,0,1]=4 108 B5R0.5 C[C@@H](C(C)C)O 1P003CXX [0,0,0,0,0,0|2,0,1]=3 109 B5R0.5 C[C@@H](C(F)F)N 1P028N2I [0,0,0,0,0,0|3,0,1]=4 110 B5R0.5 C[C@@H](O)[C@@H](N)C 1P01FWSW [0,0,0,0,0,0|2,0,1]=3 111 B5R0.5 C[C@@H]([C@@H](N)C)O 1P01OML7 [0,0,0,0,0,0|2,0,1]=3 112 B5R0.5 C[C@@H]([C@@H](O)C)O 1P0032YC [0,0,0,0,0,0|1,0,1]=2 113 B5R0.5 C[C@@H]([C@H](N)C)O 1P024HCX [0,0,0,0,0,0|2,0,1]=3 114 B5R0.5 C[C@H](C(=N)N)O 1P00CJEK [0,0,0,0,0,0|2,0,0]=2 115 B5R0.5 C[C@H](C(=O)N)O 1P003CML [0,0,0,0,0,0|1,0,0]=1 116 B5R0.5 C[C@H](C(=O)O)Br 1P0001CR [0,0,0,0,0,0|1,0,0]=1 117 B5R0.5 C[C@H](C(=O)O)Cl 1P003BFE [0,0,0,0,0,0|1,0,0]=1 118 B5R0.5 C[C@H](C(=O)O)N 1P003559 [0,0,0,0,0,0|1,0,0]=1 119 B5R0.5 C[C@H](C(=O)O)S 1P007HM9 [0,0,0,0,0,0|0,1,0]=1 120 B5R0.5 C[C@H](C(C)C)N 1P01DH3B [0,0,0,0,0,0|3,0,1]=4 121 B5R0.5 C[C@H](C(C)C)O 1P001PQR [0,0,0,0,0,0|2,0,1]=3 122 B5R0.5 C[C@H](C(F)F)N 1P01XBK2 [0,0,0,0,0,0|3,0,1]=4 123 B5R0.5 C[C@H]([C@@H](Br)C)Br 1P003RXY [0,0,0,0,0,0|3,0,1]=4 124 B5R0.5 C[C@H]([C@H](O)C)O 1P0032W8 [0,0,0,0,0,0|1,0,1]=2 125 B5R0.5 C[N+](=C(N)N)N 1P01BFXM [0,0,0,0,0,0|4,0,0]=4 126 B5R0.5 ClC(=C(Cl)C)Cl 1P00BE4M [0,0,0,0,0,0|3,0,1]=4 127 B5R0.5 ClC(=C)C(=O)O 1P003HI1 [0,0,0,0,0,0|1,0,2]=3 128 B5R0.5 ClC(=O)C(=O)C 1P00EL7R [0,0,0,0,0,0|1,0,2]=3 129 B5R0.5 ClC(=O)C(=O)Cl 1P0035WI [0,0,0,0,0,0|2,0,2]=4 130 B5R0.5 ClC(=O)C(Cl)C 1P003BO8 [0,0,0,0,0,0|2,0,0]=2 131 B5R0.5 ClC(=O)C(Cl)Cl 1P003PU4 [0,0,0,0,0,0|3,0,0]=3 132 B5R0.5 ClC(=O)C(Cl)F 1P00C9D4 [0,0,0,0,0,0|3,0,0]=3 133 B5R0.5 ClC(=O)[C@@H](Cl)C 1P01BY6S [0,0,0,0,0,0|2,0,0]=2 134 B5R0.5 ClC(=O)[C@H](Cl)C 1P006CQL [0,0,0,0,0,0|2,0,0]=2 135 B5R0.5 ClC(C(=O)N)Cl 1P003PTZ [0,0,0,0,0,0|3,0,0]=3 136 B5R0.5 ClC(C(=O)[O-])Cl 1P003USX [0,0,0,0,0,0|2,0,1]=3 137 B5R0.5 FC(=C)C(=O)Cl 1P001WGS [0,0,0,0,0,0|2,0,2]=4 138 B5R0.5 FC(=C)C(=O)O 1P0039KQ [0,0,0,0,0,0|1,0,2]=3 139 B5R0.5 FC(C(=N)N)F 1P01EM4K [0,0,0,0,0,0|4,0,0]=4 140 B5R0.5 FC(C(=O)C)F 1P00396G [0,0,0,0,0,0|3,0,0]=3 141 B5R0.5 FC(C(=O)N)F 1P00C7PN [0,0,0,0,0,0|3,0,0]=3 142 B5R0.5 FC(C(=O)O)F 1P003PZ6 [0,0,0,0,0,0|2,0,0]=2 143 B5R0.5 FC(C(=O)[O-])F 1P005S6T [0,0,0,0,0,0|2,0,1]=3 144 B5R0.5 FC(C(=O)[O-])F 1P00C5BF [0,0,0,0,0,0|2,0,1]=3 145 B5R0.5 FC(S(=O)[O-])F 1P00I5OF [0,0,0,0,0,0|3,0,1]=4 146 B5R0.5 NC(=N)C(N)C 1P028QKH [0,0,0,0,0,0|3,0,0]=3 147 B5R0.5 NC(=N)S(=O)O 1P0021O6 [0,0,0,0,0,0|3,0,1]=4 148 B5R0.5 NC(=O)C(=O)C 1P00F3KY [0,0,0,0,0,0|1,0,2]=3 149 B5R0.5 NC(=O)C(=O)N 1P0035WJ [0,0,0,0,0,0|2,0,2]=4 150 B5R0.5 NC(=O)C(=O)[O-] 1P002LS9 [0,0,0,0,0,0|1,0,3]=4 151 B5R0.5 NC(=O)C(=O)[O-] 1P003TZ9 [0,0,0,0,0,0|1,0,3]=4 152 B5R0.5 NC(=O)C(Br)Cl 1P01IDGP [0,0,0,0,0,0|3,0,0]=3 153 B5R0.5 NC(=O)C(Br)F 1P00C8R4 [0,0,0,0,0,0|3,0,0]=3 154 B5R0.5 NC(=O)C(N)C 1P003H0J [0,0,0,0,0,0|2,0,0]=2 155 B5R0.5 NC(=O)C(N)C 1P003H0K [0,0,0,0,0,0|2,0,0]=2 156 B5R0.5 NC(=O)N(N)C 1P00I4XN [0,0,0,0,0,0|3,0,0]=3 157 B5R0.5 NC(=O)[C@@H](N)C 1P0006VF [0,0,0,0,0,0|2,0,0]=2 158 B5R0.5 NC(=O)[C@@H](N)C 1P0036JB [0,0,0,0,0,0|2,0,0]=2 159 B5R0.5 NC(=O)[C@@H](N)C 1P00ICUD [0,0,0,0,0,0|2,0,0]=2 160 B5R0.5 NC(=O)[C@H](N)C 1P00382K [0,0,0,0,0,0|2,0,0]=2 161 B5R0.5 NC(=O)[C@H](N)C 1P003C4R [0,0,0,0,0,0|2,0,0]=2 162 B5R0.5 NC(=S)C(N)C 1P01C5RS [0,0,0,0,0,0|2,1,0]=3 163 B5R0.5 NC(=S)N(N)C 1P003I3K [0,0,0,0,0,0|3,1,0]=4 164 B5R0.5 N[C@@H]([C@@H](C)O)C 1P01FWSS [0,0,0,0,0,0|2,0,1]=3 165 B5R0.5 O=C([O-])C([O-])=O 1P01K949 [0,0,0,0,0,0|1,0,3]=4 166 B5R0.5 OB(B(O)O)O 1P0012RL [0,0,0,0,0,0|3,0,1]=4 167 B5R0.5 OB(C(=C)C)O 1P001DO9 [0,0,0,0,0,0|2,0,2]=4 168 B5R0.5 OB(C(C)C)O 1P0036Y4 [0,0,0,0,0,0|2,0,1]=3 169 B5R0.5 OC(=O)C(=O)C 1P000WZ4 [0,0,0,0,0,0|0,0,2]=2 170 B5R0.5 OC(=O)C(=O)C 1P00I8KL [0,0,0,0,0,0|0,0,2]=2 171 B5R0.5 OC(=O)C(=O)N 1P007228 [0,0,0,0,0,0|1,0,2]=3 172 B5R0.5 OC(=O)C(=O)O 1P001HGU [0,0,0,0,0,0|1,0,1]=2 173 B5R0.5 OC(=O)C(=O)O 1P001J7Q [0,0,0,0,0,0|1,0,1]=2 174 B5R0.5 OC(=O)C(=O)O 1P001YL3 [0,0,0,0,0,0|1,0,1]=2 175 B5R0.5 OC(=O)C(=O)O 1P0035WH [0,0,0,0,0,0|1,0,1]=2 176 B5R0.5 OC(=O)C(=O)O 1P00365O [0,0,0,0,0,0|1,0,1]=2 177 B5R0.5 OC(=O)C(=O)O 1P003UGT [0,0,0,0,0,0|1,0,1]=2 178 B5R0.5 OC(=O)C(=O)O 1P006O51 [0,0,0,0,0,0|1,0,1]=2 179 B5R0.5 OC(=O)C(=O)O 1P00C1U2 [0,0,0,0,0,0|1,0,1]=2 180 B5R0.5 OC(=O)C(=O)O 1P00IL71 [0,0,0,0,0,0|1,0,1]=2 181 B5R0.5 OC(=O)C(=O)O 1P00ILQM [0,0,0,0,0,0|1,0,1]=2 182 B5R0.5 OC(=O)C(=O)O 1P01DLJI [0,0,0,0,0,0|1,0,1]=2 183 B5R0.5 OC(=O)C(=O)O 1P01DWOZ [0,0,0,0,0,0|1,0,1]=2 184 B5R0.5 OC(=O)C(=O)O 1P01EIQX [0,0,0,0,0,0|1,0,1]=2 185 B5R0.5 OC(=O)C(=O)O 1P01FLFT [0,0,0,0,0,0|1,0,1]=2 186 B5R0.5 OC(=O)C(=O)O 1P01XAIW [0,0,0,0,0,0|1,0,1]=2 187 B5R0.5 OC(=O)C(=O)O 1P028VBK [0,0,0,0,0,0|1,0,1]=2 188 B5R0.5 OC(=O)C(=O)[O-] 1P000X03 [0,0,0,0,0,0|1,0,2]=3 189 B5R0.5 OC(=O)C(=O)[O-] 1P003231 [0,0,0,0,0,0|1,0,2]=3 190 B5R0.5 OC(=O)C(Br)Cl 1P003P0Z [0,0,0,0,0,0|2,0,0]=2 191 B5R0.5 OC(=O)C(Br)F 1P00BY5B [0,0,0,0,0,0|2,0,0]=2 192 B5R0.5 OC(=O)C(Cl)F 1P00DD1L [0,0,0,0,0,0|2,0,0]=2 193 B5R0.5 OC(=O)C(O)C 1P00388A [0,0,0,0,0,0|0,0,0]=0 194 B5R0.5 OC(=O)C(O)C 1P003P5C [0,0,0,0,0,0|0,0,0]=0 195 B5R0.5 OC(=O)C(O)N 1P0070X0 [0,0,0,0,0,0|1,0,0]=1 196 B5R0.5 OC(=O)C(O)O 1P0037OI [0,0,0,0,0,0|1,0,0]=1 197 B5R0.5 OC(=O)[C@@H](O)C 1P003AT9 [0,0,0,0,0,0|0,0,0]=0 198 B5R0.5 OC(=O)[C@H](O)C 1P003PO7 [0,0,0,0,0,0|0,0,0]=0 199 B5R0.5 OC(C(Cl)Cl)O 1P001VWN [0,0,0,0,0,0|2,0,2]=4 200 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00031C [0,0,0,0,0,0|1,0,3]=4 201 B5R0.5 [O-]C(=O)C(=O)[O-] 1P0011FV [0,0,0,0,0,0|1,0,3]=4 202 B5R0.5 [O-]C(=O)C(=O)[O-] 1P001KO1 [0,0,0,0,0,0|1,0,3]=4 203 B5R0.5 [O-]C(=O)C(=O)[O-] 1P001XGC [0,0,0,0,0,0|1,0,3]=4 204 B5R0.5 [O-]C(=O)C(=O)[O-] 1P002PYS [0,0,0,0,0,0|1,0,3]=4 205 B5R0.5 [O-]C(=O)C(=O)[O-] 1P0037M0 [0,0,0,0,0,0|1,0,3]=4 206 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003948 [0,0,0,0,0,0|1,0,3]=4 207 B5R0.5 [O-]C(=O)C(=O)[O-] 1P0039MJ [0,0,0,0,0,0|1,0,3]=4 208 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003A9Z [0,0,0,0,0,0|1,0,3]=4 209 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003OBZ [0,0,0,0,0,0|1,0,3]=4 210 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003P50 [0,0,0,0,0,0|1,0,3]=4 211 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003PHX [0,0,0,0,0,0|1,0,3]=4 212 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003ROH [0,0,0,0,0,0|1,0,3]=4 213 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003TK4 [0,0,0,0,0,0|1,0,3]=4 214 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003UDL [0,0,0,0,0,0|1,0,3]=4 215 B5R0.5 [O-]C(=O)C(=O)[O-] 1P003UWJ [0,0,0,0,0,0|1,0,3]=4 216 B5R0.5 [O-]C(=O)C(=O)[O-] 1P0052S0 [0,0,0,0,0,0|1,0,3]=4 217 B5R0.5 [O-]C(=O)C(=O)[O-] 1P006UZV [0,0,0,0,0,0|1,0,3]=4 218 B5R0.5 [O-]C(=O)C(=O)[O-] 1P007C28 [0,0,0,0,0,0|1,0,3]=4 219 B5R0.5 [O-]C(=O)C(=O)[O-] 1P008MSE [0,0,0,0,0,0|1,0,3]=4 220 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00DMGT [0,0,0,0,0,0|1,0,3]=4 221 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00E0U8 [0,0,0,0,0,0|1,0,3]=4 222 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00I9OV [0,0,0,0,0,0|1,0,3]=4 223 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00IB92 [0,0,0,0,0,0|1,0,3]=4 224 B5R0.5 [O-]C(=O)C(=O)[O-] 1P00IBCE [0,0,0,0,0,0|1,0,3]=4 225 B5R0.5 [O-]C(=O)C(=O)[O-] 1P01KKUY [0,0,0,0,0,0|1,0,3]=4 226 B5R0.5 [O-]C(=O)C(Cl)F 1P005VN8 [0,0,0,0,0,0|2,0,1]=3 227 B5R0.5 [O-]C(=O)C(O)C 1P005SQF [0,0,0,0,0,0|0,0,1]=1 228 B5R0.5 [O-]C(=O)C(O)C 1P0069SJ [0,0,0,0,0,0|0,0,1]=1 229 B5R0.5 [O-]C(=O)C(O)C 1P008FOG [0,0,0,0,0,0|0,0,1]=1 230 B5R0.5 [O-]C(=O)[C@@H](O)C 1P002VDW [0,0,0,0,0,0|0,0,1]=1 231 B5R0.5 [O-]C(=O)[C@@H](O)C 1P004KNK [0,0,0,0,0,0|0,0,1]=1 232 B5R0.5 [O-]C(=O)[C@@H](O)C 1P00IM0T [0,0,0,0,0,0|0,0,1]=1 233 B5R0.5 [O-]C(=O)[C@H](F)C 1P02809N [0,0,0,0,0,0|1,0,1]=2 234 B5R0.5 [O-]C(=O)[C@H](O)C 1P002VDV [0,0,0,0,0,0|0,0,1]=1 235 B5R0.5 [O-]C(=O)[C@H](O)C 1P003USZ [0,0,0,0,0,0|0,0,1]=1 236 B4R0.1 *CC(C)* 1P006XYD [1,0,0,0,0,0|2,0,1]=4 237 B4R0.1 *CC(O)* 1P003A56 [1,0,0,0,0,0|2,0,1]=4 238 B4R0.1 BrC(=C)C=O 1P001LZP [1,0,0,0,0,0|1,0,2]=4 239 B4R0.1 BrC(=C)CI 1P028XX9 [1,0,0,0,0,0|3,0,0]=4 240 B4R0.1 BrC=C(C)C 1P003367 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.1 BrC=[N+](C)C 1P002PVD [1,0,0,0,0,0|3,0,0]=4 242 B4R0.1 BrCC(=C)Br 1P0033E7 [1,0,0,0,0,0|3,0,0]=4 243 B4R0.1 BrCC(=C)I 1P004W4Z [1,0,0,0,0,0|3,0,0]=4 244 B4R0.1 BrCC(=O)Br 1P003P0X [1,0,0,0,0,0|2,0,0]=3 245 B4R0.1 BrCC(Br)C 1P003DUK [1,0,0,0,0,0|2,0,1]=4 246 B4R0.1 BrCC(C)C 1P003366 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.1 BrCN(=O)=O 1P003516 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.1 Br[Mg]C(C)C 1P0035IZ [1,0,0,0,0,0|3,0,0]=4 249 B4R0.1 C=CC(=C)C 1P003RL1 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.1 C=CC(=O)N 1P00E9WL [1,0,0,0,0,0|1,0,2]=4 251 B4R0.1 C=CC(=O)O 1P01FLHQ [1,0,0,0,0,0|0,0,2]=3 252 B4R0.1 C=CC(=O)O 1P01FLJA [1,0,0,0,0,0|0,0,2]=3 253 B4R0.1 C=CC(=O)[O-] 1P001EHX [1,0,0,0,0,0|0,0,3]=4 254 B4R0.1 C=CC(=O)[O-] 1P0027SQ [1,0,0,0,0,0|0,0,3]=4 255 B4R0.1 C=CC(=O)[O-] 1P002DEV [1,0,0,0,0,0|0,0,3]=4 256 B4R0.1 C=CC(=O)[O-] 1P003RV3 [1,0,0,0,0,0|0,0,3]=4 257 B4R0.1 CC(=C)C=O 1P0035LF [1,0,0,0,0,0|1,0,1]=3 258 B4R0.1 CC(=C)CBr 1P001DW1 [1,0,0,0,0,0|3,0,0]=4 259 B4R0.1 CC(=C)CCl 1P0037OP [1,0,0,0,0,0|3,0,0]=4 260 B4R0.1 CC(=C)CI 1P00CNG6 [1,0,0,0,0,0|3,0,0]=4 261 B4R0.1 CC(=C)CN 1P002WWW [1,0,0,0,0,0|3,0,0]=4 262 B4R0.1 CC(=C)CN 1P003I52 [1,0,0,0,0,0|3,0,0]=4 263 B4R0.1 CC(=NO)N 1P00DDO0 [1,0,0,0,0,0|2,0,1]=4 264 B4R0.1 CC(=NO)N 1P01EIQU [1,0,0,0,0,0|2,0,1]=4 265 B4R0.1 CC(=O)C#C 1P001IM3 [1,0,0,0,0,0|1,0,2]=4 266 B4R0.1 CC(=O)C#N 1P003UJX [1,0,0,0,0,0|2,0,1]=4 267 B4R0.1 CC(=O)CN 1P0034X5 [1,0,0,0,0,0|2,0,0]=3 268 B4R0.1 CC(=O)CO 1P000HWA [1,0,0,0,0,0|1,0,0]=2 269 B4R0.1 CC(=O)NBr 1P005BDP [1,0,0,0,0,0|3,0,0]=4 270 B4R0.1 CC(=O)NN 1P003O4C [1,0,0,0,0,0|3,0,0]=4 271 B4R0.1 CC(=O)NO 1P00394C [1,0,0,0,0,0|2,0,0]=3 272 B4R0.1 CC(=O)O[Rh] 1P003614 [1,0,0,0,0,0|3,0,0]=4 273 B4R0.1 CC(C#C)Cl 1P002L47 [1,0,0,0,0,0|2,0,1]=4 274 B4R0.1 CC(C#C)N 1P0030F7 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.1 CC(C#C)N 1P00BYZW [1,0,0,0,0,0|2,0,1]=4 276 B4R0.1 CC(C#C)O 1P0028WL [1,0,0,0,0,0|1,0,1]=3 277 B4R0.1 CC(C#N)Br 1P0033NK [1,0,0,0,0,0|2,0,1]=4 278 B4R0.1 CC(C#N)C 1P0038WA [1,0,0,0,0,0|2,0,1]=4 279 B4R0.1 CC(C#N)Cl 1P001WAB [1,0,0,0,0,0|2,0,1]=4 280 B4R0.1 CC(C#N)I 1P0085M8 [1,0,0,0,0,0|2,0,1]=4 281 B4R0.1 CC(C#N)N 1P003AP2 [1,0,0,0,0,0|2,0,1]=4 282 B4R0.1 CC(C=C)Cl 1P00343Y [1,0,0,0,0,0|2,0,0]=3 283 B4R0.1 CC(C=C)N 1P01A1MZ [1,0,0,0,0,0|2,0,0]=3 284 B4R0.1 CC(C=C)N 1P01AL0X [1,0,0,0,0,0|2,0,0]=3 285 B4R0.1 CC(C=C)O 1P003JM7 [1,0,0,0,0,0|1,0,0]=2 286 B4R0.1 CC(C=O)Br 1P002CQO [1,0,0,0,0,0|1,0,0]=2 287 B4R0.1 CC(C=O)Cl 1P006MCM [1,0,0,0,0,0|1,0,0]=2 288 B4R0.1 CC(CBr)N 1P01S4HF [1,0,0,0,0,0|2,0,1]=4 289 B4R0.1 CC(CBr)O 1P003EK9 [1,0,0,0,0,0|1,0,1]=3 290 B4R0.1 CC(CCl)Br 1P0037V7 [1,0,0,0,0,0|2,0,1]=4 291 B4R0.1 CC(CCl)N 1P01ACHD [1,0,0,0,0,0|2,0,1]=4 292 B4R0.1 CC(CCl)O 1P000WZ9 [1,0,0,0,0,0|1,0,1]=3 293 B4R0.1 CC(CF)I 1P028LP7 [1,0,0,0,0,0|2,0,1]=4 294 B4R0.1 CC(CF)N 1P01BBXX [1,0,0,0,0,0|2,0,1]=4 295 B4R0.1 CC(CF)O 1P00705J [1,0,0,0,0,0|1,0,1]=3 296 B4R0.1 CC(CI)F 1P0278ZD [1,0,0,0,0,0|2,0,1]=4 297 B4R0.1 CC(CI)N 1P0286IZ [1,0,0,0,0,0|2,0,1]=4 298 B4R0.1 CC(CI)O 1P01BFNN [1,0,0,0,0,0|1,0,1]=3 299 B4R0.1 CC(CN)Br 1P01DMAL [1,0,0,0,0,0|2,0,1]=4 300 B4R0.1 CC(CN)Cl 1P01B9EP [1,0,0,0,0,0|2,0,1]=4 301 B4R0.1 CC(CN)F 1P01EIGV [1,0,0,0,0,0|2,0,1]=4 302 B4R0.1 CC(CN)O 1P0039OT [1,0,0,0,0,0|1,0,1]=3 303 B4R0.1 CC(CN)O 1P003RL3 [1,0,0,0,0,0|1,0,1]=3 304 B4R0.1 CC(CN)S 1P00COSD [1,0,0,0,0,0|1,1,1]=4 305 B4R0.1 CC(CO)Br 1P00EKKP [1,0,0,0,0,0|1,0,1]=3 306 B4R0.1 CC(CO)Cl 1P005PDW [1,0,0,0,0,0|1,0,1]=3 307 B4R0.1 CC(CO)F 1P00C1AE [1,0,0,0,0,0|1,0,1]=3 308 B4R0.1 CC(CO)N 1P003Q9X [1,0,0,0,0,0|1,0,1]=3 309 B4R0.1 CC(CO)S 1P00C5FE [1,0,0,0,0,0|0,1,1]=3 310 B4R0.1 CC(CS)N 1P01A3A6 [1,0,0,0,0,0|1,1,1]=4 311 B4R0.1 CC(CS)O 1P003EX2 [1,0,0,0,0,0|0,1,1]=3 312 B4R0.1 CC([N+]#[C-])C 1P003RLN [1,0,0,0,0,0|3,0,0]=4 313 B4R0.1 CC=C(Br)C 1P0011W9 [1,0,0,0,0,0|2,0,1]=4 314 B4R0.1 CC=C(C)C 1P003I2C [1,0,0,0,0,0|2,0,1]=4 315 B4R0.1 CCB(O)O 1P003QYO [1,0,0,0,0,0|1,0,1]=3 316 B4R0.1 CCC(=N)N 1P00BYO6 [1,0,0,0,0,0|2,0,0]=3 317 B4R0.1 CCC(=N)N 1P00I7LL [1,0,0,0,0,0|2,0,0]=3 318 B4R0.1 CCC(=O)Cl 1P003UG7 [1,0,0,0,0,0|1,0,0]=2 319 B4R0.1 CCC(=O)N 1P003UG1 [1,0,0,0,0,0|1,0,0]=2 320 B4R0.1 CCC(=O)O 1P0035ZO [1,0,0,0,0,0|0,0,0]=1 321 B4R0.1 CCC(=O)[O-] 1P003P52 [1,0,0,0,0,0|0,0,1]=2 322 B4R0.1 CCC(=O)[O-] 1P003VUU [1,0,0,0,0,0|0,0,1]=2 323 B4R0.1 CCC(=S)N 1P00365Q [1,0,0,0,0,0|1,1,0]=3 324 B4R0.1 CCC(=S)O 1P002IJ9 [1,0,0,0,0,0|0,1,0]=2 325 B4R0.1 CCC(Br)C 1P0033MU [1,0,0,0,0,0|2,0,1]=4 326 B4R0.1 CCC(C)[O-] 1P003OA3 [1,0,0,0,0,0|1,0,2]=4 327 B4R0.1 CCC(Cl)C 1P003HIL [1,0,0,0,0,0|2,0,1]=4 328 B4R0.1 CCC(Cl)Cl 1P003DOZ [1,0,0,0,0,0|2,0,1]=4 329 B4R0.1 CCC(I)C 1P003UOW [1,0,0,0,0,0|2,0,1]=4 330 B4R0.1 CCC(N)C 1P001BNN [1,0,0,0,0,0|2,0,1]=4 331 B4R0.1 CCC(O)C 1P003H9W [1,0,0,0,0,0|1,0,1]=3 332 B4R0.1 CCC(O)O 1P002SZH [1,0,0,0,0,0|0,0,2]=3 333 B4R0.1 CCC(S)C 1P003H9V [1,0,0,0,0,0|1,1,1]=4 334 B4R0.1 CCC([Mg+])C 1P003UP2 [1,0,0,0,0,0|2,0,1]=4 335 B4R0.1 CCC([NH3+])C 1P00I9XG [1,0,0,0,0,0|2,0,1]=4 336 B4R0.1 CCN(N)C 1P01BBPA [1,0,0,0,0,0|3,0,0]=4 337 B4R0.1 CCP(=O)C 1P027S1I [1,0,0,0,0,0|2,0,0]=3 338 B4R0.1 CCS(=O)Cl 1P01BF60 [1,0,0,0,0,0|2,0,0]=3 339 B4R0.1 CCS(=O)N 1P01BFNU [1,0,0,0,0,0|2,0,0]=3 340 B4R0.1 CC[C@@H](N)C 1P0032WO [1,0,0,0,0,0|2,0,1]=4 341 B4R0.1 CC[C@@H](N)C 1P00I6FG [1,0,0,0,0,0|2,0,1]=4 342 B4R0.1 CC[C@@H](O)C 1P003CX5 [1,0,0,0,0,0|1,0,1]=3 343 B4R0.1 CC[C@H](N)C 1P00118A [1,0,0,0,0,0|2,0,1]=4 344 B4R0.1 CC[C@H](N)C 1P00I6FH [1,0,0,0,0,0|2,0,1]=4 345 B4R0.1 CC[C@H](O)C 1P001LSA [1,0,0,0,0,0|1,0,1]=3 346 B4R0.1 CC[SiH](C)C 1P008POW [1,0,0,0,0,0|2,1,0]=4 347 B4R0.1 CN(C=O)N 1P00G5EA [1,0,0,0,0,0|2,0,0]=3 348 B4R0.1 CN=C(N)C 1P01BBXW [1,0,0,0,0,0|3,0,0]=4 349 B4R0.1 CN=C(N)N 1P00BC71 [1,0,0,0,0,0|3,0,0]=4 350 B4R0.1 CNC(=N)N 1P00339W [1,0,0,0,0,0|3,0,0]=4 351 B4R0.1 CNC(=O)C 1P0035SQ [1,0,0,0,0,0|2,0,0]=3 352 B4R0.1 CNC(=O)Cl 1P00IBUF [1,0,0,0,0,0|2,0,0]=3 353 B4R0.1 CNC(=O)N 1P0035QD [1,0,0,0,0,0|2,0,0]=3 354 B4R0.1 CNC(=S)N 1P003TPB [1,0,0,0,0,0|2,1,0]=4 355 B4R0.1 COC(=C)C 1P000HW9 [1,0,0,0,0,0|3,0,0]=4 356 B4R0.1 COC(=N)C 1P001FNK [1,0,0,0,0,0|3,0,0]=4 357 B4R0.1 COC(=N)N 1P00DENI [1,0,0,0,0,0|3,0,0]=4 358 B4R0.1 COC(=O)C 1P0053LN [1,0,0,0,0,0|2,0,0]=3 359 B4R0.1 COC(=O)N 1P003SGG [1,0,0,0,0,0|2,0,0]=3 360 B4R0.1 COC(=S)N 1P005ROA [1,0,0,0,0,0|2,1,0]=4 361 B4R0.1 COC(Cl)C 1P00JO5S [1,0,0,0,0,0|3,0,0]=4 362 B4R0.1 COS(=O)C 1P00H8DU [1,0,0,0,0,0|3,0,0]=4 363 B4R0.1 CSC(=N)N 1P00361U [1,0,0,0,0,0|3,0,0]=4 364 B4R0.1 CSC(=N)N 1P00DA51 [1,0,0,0,0,0|3,0,0]=4 365 B4R0.1 CSC(=O)C 1P003UQP [1,0,0,0,0,0|2,0,0]=3 366 B4R0.1 CSC(=O)N 1P01PZH2 [1,0,0,0,0,0|2,0,0]=3 367 B4R0.1 CSC(=S)C 1P00BVKS [1,0,0,0,0,0|2,1,0]=4 368 B4R0.1 CSC(=S)N 1P0292HS [1,0,0,0,0,0|2,1,0]=4 369 B4R0.1 CSC(Cl)C 1P028L6G [1,0,0,0,0,0|3,0,0]=4 370 B4R0.1 C[C@@H](C#C)N 1P001GYG [1,0,0,0,0,0|2,0,1]=4 371 B4R0.1 C[C@@H](C#C)O 1P002XXJ [1,0,0,0,0,0|1,0,1]=3 372 B4R0.1 C[C@@H](C=C)N 1P00AO6Z [1,0,0,0,0,0|2,0,0]=3 373 B4R0.1 C[C@@H](C=C)N 1P024UN5 [1,0,0,0,0,0|2,0,0]=3 374 B4R0.1 C[C@@H](CCl)O 1P00I7UO [1,0,0,0,0,0|1,0,1]=3 375 B4R0.1 C[C@@H](CF)N 1P019Z53 [1,0,0,0,0,0|2,0,1]=4 376 B4R0.1 C[C@@H](CN)O 1P003CWC [1,0,0,0,0,0|1,0,1]=3 377 B4R0.1 C[C@@H](CN)S 1P028700 [1,0,0,0,0,0|1,1,1]=4 378 B4R0.1 C[C@@H](CO)Cl 1P002G3X [1,0,0,0,0,0|1,0,1]=3 379 B4R0.1 C[C@@H](CO)F 1P00IF81 [1,0,0,0,0,0|1,0,1]=3 380 B4R0.1 C[C@@H](CO)N 1P0035JO [1,0,0,0,0,0|1,0,1]=3 381 B4R0.1 C[C@@H](CS)N 1P01DVGH [1,0,0,0,0,0|1,1,1]=4 382 B4R0.1 C[C@@H](CS)O 1P01BUOA [1,0,0,0,0,0|0,1,1]=3 383 B4R0.1 C[C@H](C#C)N 1P00H3GB [1,0,0,0,0,0|2,0,1]=4 384 B4R0.1 C[C@H](C#C)O 1P003CM6 [1,0,0,0,0,0|1,0,1]=3 385 B4R0.1 C[C@H](C#N)N 1P01A3JV [1,0,0,0,0,0|2,0,1]=4 386 B4R0.1 C[C@H](C=C)N 1P01EMC7 [1,0,0,0,0,0|2,0,0]=3 387 B4R0.1 C[C@H](C=C)O 1P00CLJ5 [1,0,0,0,0,0|1,0,0]=2 388 B4R0.1 C[C@H](CBr)O 1P00090L [1,0,0,0,0,0|1,0,1]=3 389 B4R0.1 C[C@H](CCl)O 1P002FO6 [1,0,0,0,0,0|1,0,1]=3 390 B4R0.1 C[C@H](CF)N 1P00IMQL [1,0,0,0,0,0|2,0,1]=4 391 B4R0.1 C[C@H](CN)F 1P027VQ9 [1,0,0,0,0,0|2,0,1]=4 392 B4R0.1 C[C@H](CN)O 1P003CIX [1,0,0,0,0,0|1,0,1]=3 393 B4R0.1 C[C@H](CN)S 1P028MOY [1,0,0,0,0,0|1,1,1]=4 394 B4R0.1 C[C@H](CO)Cl 1P00BXSZ [1,0,0,0,0,0|1,0,1]=3 395 B4R0.1 C[C@H](CO)F 1P004OGA [1,0,0,0,0,0|1,0,1]=3 396 B4R0.1 C[C@H](CO)N 1P00355B [1,0,0,0,0,0|1,0,1]=3 397 B4R0.1 C[C@H](CO)S 1P02820Z [1,0,0,0,0,0|0,1,1]=3 398 B4R0.1 C[C@H](CS)N 1P01DVGI [1,0,0,0,0,0|1,1,1]=4 399 B4R0.1 C[C@H](CS)O 1P01BUO6 [1,0,0,0,0,0|0,1,1]=3 400 B4R0.1 C\C(=N/O)\N 1P01FT21 [1,0,0,0,0,0|2,0,1]=4 401 B4R0.1 C\C(=N\O)\N 1P007QF8 [1,0,0,0,0,0|2,0,1]=4 402 B4R0.1 C\C=C(/Br)\C 1P003D6B [1,0,0,0,0,0|2,0,1]=4 403 B4R0.1 ClC(=C)CBr 1P01B61X [1,0,0,0,0,0|3,0,0]=4 404 B4R0.1 ClC(=C)CI 1P01C9T0 [1,0,0,0,0,0|3,0,0]=4 405 B4R0.1 ClC(=O)CBr 1P003P0Y [1,0,0,0,0,0|2,0,0]=3 406 B4R0.1 ClC=C(C)C 1P003EOC [1,0,0,0,0,0|2,0,1]=4 407 B4R0.1 ClC=[N+](C)C 1P0032TX [1,0,0,0,0,0|3,0,0]=4 408 B4R0.1 ClCC(=C)Cl 1P00GPPU [1,0,0,0,0,0|3,0,0]=4 409 B4R0.1 ClCC(C)C 1P0036A5 [1,0,0,0,0,0|2,0,1]=4 410 B4R0.1 ClCC(Cl)C 1P003DUW [1,0,0,0,0,0|2,0,1]=4 411 B4R0.1 ClSC(=O)Cl 1P002UKK [1,0,0,0,0,0|3,0,0]=4 412 B4R0.1 FC(=C)CBr 1P00I7HP [1,0,0,0,0,0|3,0,0]=4 413 B4R0.1 FC(=C)CCl 1P00IBE6 [1,0,0,0,0,0|3,0,0]=4 414 B4R0.1 FC(=C)CI 1P0281SZ [1,0,0,0,0,0|3,0,0]=4 415 B4R0.1 FCC(=C)Br 1P028P9P [1,0,0,0,0,0|3,0,0]=4 416 B4R0.1 ICC(C)C 1P003RJE [1,0,0,0,0,0|2,0,1]=4 417 B4R0.1 NC(=N)CCl 1P003P9P [1,0,0,0,0,0|3,0,0]=4 418 B4R0.1 NC(=N)CCl 1P00BFLZ [1,0,0,0,0,0|3,0,0]=4 419 B4R0.1 NC(=N)CF 1P00J2CQ [1,0,0,0,0,0|3,0,0]=4 420 B4R0.1 NC(=N)CO 1P003A09 [1,0,0,0,0,0|2,0,0]=3 421 B4R0.1 NC(=N)CO 1P00DJH7 [1,0,0,0,0,0|2,0,0]=3 422 B4R0.1 NC(=O)C#C 1P0035ZN [1,0,0,0,0,0|1,0,2]=4 423 B4R0.1 NC(=O)C=C 1P0034W9 [1,0,0,0,0,0|1,0,2]=4 424 B4R0.1 NC(=O)CBr 1P0033MO [1,0,0,0,0,0|2,0,0]=3 425 B4R0.1 NC(=O)CCl 1P003HHZ [1,0,0,0,0,0|2,0,0]=3 426 B4R0.1 NC(=O)CF 1P00JTCL [1,0,0,0,0,0|2,0,0]=3 427 B4R0.1 NC(=O)CI 1P001J7S [1,0,0,0,0,0|2,0,0]=3 428 B4R0.1 NC(=O)CO 1P003HVT [1,0,0,0,0,0|1,0,0]=2 429 B4R0.1 NC(=O)CS 1P005IT7 [1,0,0,0,0,0|1,1,0]=3 430 B4R0.1 NC(=O)NO 1P000WZ7 [1,0,0,0,0,0|2,0,0]=3 431 B4R0.1 NC(=S)CF 1P00IDTZ [1,0,0,0,0,0|2,1,0]=4 432 B4R0.1 NC(=S)CO 1P019U8H [1,0,0,0,0,0|1,1,0]=3 433 B4R0.1 NC(=[NH2+])CS 1P00755V [1,0,0,0,0,0|2,1,0]=4 434 B4R0.1 NCC(=C)Br 1P00ICEF [1,0,0,0,0,0|3,0,0]=4 435 B4R0.1 NCC(=C)Cl 1P0002P5 [1,0,0,0,0,0|3,0,0]=4 436 B4R0.1 NCC(=C)F 1P01X2H7 [1,0,0,0,0,0|3,0,0]=4 437 B4R0.1 NCC(=N)N 1P003GZP [1,0,0,0,0,0|3,0,0]=4 438 B4R0.1 NCC(=N)N 1P027RGW [1,0,0,0,0,0|3,0,0]=4 439 B4R0.1 NCC(=O)N 1P001XFF [1,0,0,0,0,0|2,0,0]=3 440 B4R0.1 NCC(=O)N 1P007FBC [1,0,0,0,0,0|2,0,0]=3 441 B4R0.1 NCC(=O)N 1P00E9KZ [1,0,0,0,0,0|2,0,0]=3 442 B4R0.1 NCC(=O)O 1P0035FO [1,0,0,0,0,0|1,0,0]=2 443 B4R0.1 NCC(=O)O 1P00392S [1,0,0,0,0,0|1,0,0]=2 444 B4R0.1 NCC(=O)O 1P003GZQ [1,0,0,0,0,0|1,0,0]=2 445 B4R0.1 NCC(=O)O 1P003R91 [1,0,0,0,0,0|1,0,0]=2 446 B4R0.1 NCC(=O)[O-] 1P001FPG [1,0,0,0,0,0|1,0,1]=3 447 B4R0.1 NCC(=O)[O-] 1P003VUO [1,0,0,0,0,0|1,0,1]=3 448 B4R0.1 NCC(=O)[O-] 1P007GEQ [1,0,0,0,0,0|1,0,1]=3 449 B4R0.1 NCC(=O)[O-] 1P01CD7L [1,0,0,0,0,0|1,0,1]=3 450 B4R0.1 NCC(=S)N 1P01A4KW [1,0,0,0,0,0|2,1,0]=4 451 B4R0.1 NCC(C)C 1P003RJP [1,0,0,0,0,0|2,0,1]=4 452 B4R0.1 NCC(C)C 1P003RJQ [1,0,0,0,0,0|2,0,1]=4 453 B4R0.1 NCC(C)C 1P00C4UX [1,0,0,0,0,0|2,0,1]=4 454 B4R0.1 NCC(C)C 1P00ICXR [1,0,0,0,0,0|2,0,1]=4 455 B4R0.1 NCC(N)C 1P003318 [1,0,0,0,0,0|2,0,1]=4 456 B4R0.1 NC[C@@H](N)C 1P002BGH [1,0,0,0,0,0|2,0,1]=4 457 B4R0.1 NC[C@H](N)C 1P002BHK [1,0,0,0,0,0|2,0,1]=4 458 B4R0.1 NNC(=O)N 1P00361L [1,0,0,0,0,0|3,0,0]=4 459 B4R0.1 NNC(=O)N 1P0037II [1,0,0,0,0,0|3,0,0]=4 460 B4R0.1 NNC(C)C 1P0035IX [1,0,0,0,0,0|3,0,0]=4 461 B4R0.1 NOC(C)C 1P00396P [1,0,0,0,0,0|3,0,0]=4 462 B4R0.1 N[13CH2]C(=O)O 1P00C26O [1,0,0,0,0,0|1,0,0]=2 463 B4R0.1 N[13C](=O)[13CH]=[13CH2] 1P00C2PS [1,0,0,0,0,0|1,0,2]=4 464 B4R0.1 O=CC(=O)C 1P00360Q [1,0,0,0,0,0|0,0,2]=3 465 B4R0.1 O=CC(=O)O 1P0035FV [1,0,0,0,0,0|0,0,2]=3 466 B4R0.1 O=CC(=O)O 1P009AKD [1,0,0,0,0,0|0,0,2]=3 467 B4R0.1 O=CC(=O)[O-] 1P003UT9 [1,0,0,0,0,0|0,0,3]=4 468 B4R0.1 O=CC(C)C 1P0035IE [1,0,0,0,0,0|1,0,0]=2 469 B4R0.1 OC(=O)C#C 1P003UFX [1,0,0,0,0,0|0,0,2]=3 470 B4R0.1 OC(=O)C=C 1P0036OH [1,0,0,0,0,0|0,0,2]=3 471 B4R0.1 OC(=O)C=C 1P01O7IB [1,0,0,0,0,0|0,0,2]=3 472 B4R0.1 OC(=O)CBr 1P003511 [1,0,0,0,0,0|1,0,0]=2 473 B4R0.1 OC(=O)CCl 1P003B9S [1,0,0,0,0,0|1,0,0]=2 474 B4R0.1 OC(=O)CI 1P003RH9 [1,0,0,0,0,0|1,0,0]=2 475 B4R0.1 OC(=O)CS 1P0039SY [1,0,0,0,0,0|0,1,0]=2 476 B4R0.1 OC(=O)CS 1P003P58 [1,0,0,0,0,0|0,1,0]=2 477 B4R0.1 OCC(=C)Br 1P0032Q5 [1,0,0,0,0,0|2,0,0]=3 478 B4R0.1 OCC(=C)Cl 1P003HBH [1,0,0,0,0,0|2,0,0]=3 479 B4R0.1 OCC(=C)F 1P00EW6X [1,0,0,0,0,0|2,0,0]=3 480 B4R0.1 OCC(=C)I 1P004YYW [1,0,0,0,0,0|2,0,0]=3 481 B4R0.1 OCC(=O)O 1P002RQ6 [1,0,0,0,0,0|0,0,0]=1 482 B4R0.1 OCC(=O)O 1P005YTG [1,0,0,0,0,0|0,0,0]=1 483 B4R0.1 OCC(=O)O 1P00BZ1F [1,0,0,0,0,0|0,0,0]=1 484 B4R0.1 OCC(=O)[O-] 1P002SYD [1,0,0,0,0,0|0,0,1]=2 485 B4R0.1 OCC(Br)Br 1P008JTC [1,0,0,0,0,0|2,0,1]=4 486 B4R0.1 OCC(Br)F 1P0037N0 [1,0,0,0,0,0|2,0,1]=4 487 B4R0.1 OCC(C)C 1P0035IA [1,0,0,0,0,0|1,0,1]=3 488 B4R0.1 OCC(Cl)Cl 1P003FR9 [1,0,0,0,0,0|2,0,1]=4 489 B4R0.1 OCC(Cl)F 1P001AAA [1,0,0,0,0,0|2,0,1]=4 490 B4R0.1 OCC(F)F 1P0033DK [1,0,0,0,0,0|2,0,1]=4 491 B4R0.1 OCC(O)C 1P00331M [1,0,0,0,0,0|0,0,1]=2 492 B4R0.1 OCC(O)C 1P006EY7 [1,0,0,0,0,0|0,0,1]=2 493 B4R0.1 OCC(O)C 1P00GT0R [1,0,0,0,0,0|0,0,1]=2 494 B4R0.1 OC[C@@H](O)C 1P0032WJ [1,0,0,0,0,0|0,0,1]=2 495 B4R0.1 OC[C@H](O)C 1P0032U3 [1,0,0,0,0,0|0,0,1]=2 496 B4R0.1 ON=C(Br)Br 1P003DOV [1,0,0,0,0,0|3,0,0]=4 497 B4R0.1 ON=C(C)C 1P000WZ8 [1,0,0,0,0,0|2,0,1]=4 498 B4R0.1 ON=C(N)N 1P00JECT [1,0,0,0,0,0|3,0,0]=4 499 B4R0.1 ONC(C)C 1P00DES9 [1,0,0,0,0,0|2,0,0]=3 500 B4R0.1 ONC(C)C 1P00DF6Q [1,0,0,0,0,0|2,0,0]=3 501 B4R0.1 OOC(=O)[O-] 1P007UDG [1,0,0,0,0,0|1,0,1]=3 502 B4R0.1 PCC(C)C 1P0074H8 [1,0,0,0,0,0|2,0,1]=4 503 B4R0.1 S=CN(C)C 1P003T2D [1,0,0,0,0,0|2,1,0]=4 504 B4R0.1 SCC(=C)Br 1P027YII [1,0,0,0,0,0|2,1,0]=4 505 B4R0.1 SCC(=C)Cl 1P007SWN [1,0,0,0,0,0|2,1,0]=4 506 B4R0.1 SCC(=O)O 1P000KEI [1,0,0,0,0,0|0,1,0]=2 507 B4R0.1 SCC(=O)O 1P000R53 [1,0,0,0,0,0|0,1,0]=2 508 B4R0.1 SCC(=O)[O-] 1P01DNXZ [1,0,0,0,0,0|0,1,1]=3 509 B4R0.1 SCC(C)C 1P003RJW [1,0,0,0,0,0|1,1,1]=4 510 B4R0.1 [15NH2]CC(=O)O 1P00FCSE [1,0,0,0,0,0|1,0,0]=2 511 B4R0.1 [15NH2][13CH2][13C](=O)O 1P00C26A [1,0,0,0,0,0|1,0,0]=2 512 B4R0.1 [O-]C(=O)C#C 1P00GY5Z [1,0,0,0,0,0|0,0,3]=4 513 B4R0.1 [O-]C(=O)C=C 1P0006FB [1,0,0,0,0,0|0,0,3]=4 514 B4R0.1 [O-]C(=O)C=C 1P0011HV [1,0,0,0,0,0|0,0,3]=4 515 B4R0.1 [O-]C(=O)C=C 1P00ICZK [1,0,0,0,0,0|0,0,3]=4 516 B4R0.1 [O-]C(=O)CBr 1P003USJ [1,0,0,0,0,0|1,0,1]=3 517 B4R0.1 [O-]C(=O)CC 1P001350 [1,0,0,0,0,0|0,0,1]=2 518 B4R0.1 [O-]C(=O)CC 1P0035ZP [1,0,0,0,0,0|0,0,1]=2 519 B4R0.1 [O-]C(=O)CCl 1P003625 [1,0,0,0,0,0|1,0,1]=3 520 B4R0.1 [O-]C(=O)CI 1P0030UG [1,0,0,0,0,0|1,0,1]=3 521 B4R0.1 [O-]C(=O)CN 1P002JEZ [1,0,0,0,0,0|1,0,1]=3 522 B4R0.1 [O-]C(=O)CO 1P00BC47 [1,0,0,0,0,0|0,0,1]=2 523 B4R0.1 [O-]C(=O)CS 1P003OCD [1,0,0,0,0,0|0,1,1]=3 524 B4R0.1 [O-]C(=O)CS 1P0078SY [1,0,0,0,0,0|0,1,1]=3 525 B4R0.1 [O-]C(=O)[O-][Ni+2] 1P01XCWZ [1,0,0,0,0,0|2,0,1]=4 526 B4R0.1 [O-]CC(C)C 1P003V60 [1,0,0,0,0,0|1,0,2]=4 527 B4R0.1 [O-]CS(=O)O 1P005AEE [1,0,0,0,0,0|1,0,1]=3 528 B4R0.1 [O-]P(=O)OC 1P028RM0 [1,0,0,0,0,0|2,0,1]=4 529 B4R0.1 [O-]S(=O)CC 1P002D65 [1,0,0,0,0,0|1,0,1]=3 530 B4R0.1 [O-]S(=O)CO 1P00362A [1,0,0,0,0,0|1,0,1]=3 531 B4R0.1 [O-]S(=O)CO 1P00E91X [1,0,0,0,0,0|1,0,1]=3 532 B6R0.3 *C(C(=O)N)C* 1P00IM2A [0,1,0,0,0,0|2,0,0]=3 533 B6R0.3 *C(C(=O)O)C* 1P00IGFS [0,1,0,0,0,0|1,0,0]=2 534 B6R0.3 BrCC(=O)C(Br)C 1P0059GU [0,1,0,0,0,0|2,0,0]=3 535 B6R0.3 BrCC(=O)C(C)C 1P002CQP [0,1,0,0,0,0|2,0,0]=3 536 B6R0.3 BrCC(=O)C(F)F 1P01B923 [0,1,0,0,0,0|3,0,0]=4 537 B6R0.3 BrCC(=O)N(C)C 1P0037QR [0,1,0,0,0,0|3,0,0]=4 538 B6R0.3 BrCC(C(C)C)O 1P00AENS [0,1,0,0,0,0|2,0,1]=4 539 B6R0.3 BrCC(C(F)F)O 1P01DFJY [0,1,0,0,0,0|2,0,1]=4 540 B6R0.3 C=CC(=O)C(C)C 1P001SJ3 [0,1,0,0,0,0|2,0,0]=3 541 B6R0.3 C=CC(=O)N(C)C 1P003T1H [0,1,0,0,0,0|3,0,0]=4 542 B6R0.3 C=CC(C(C)C)O 1P00DBHA [0,1,0,0,0,0|2,0,1]=4 543 B6R0.3 CC(=C)C(=NO)N 1P01BVAM [0,1,0,0,0,0|2,0,1]=4 544 B6R0.3 CC(=C)C(C#N)O 1P007P23 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.3 CC(=C)C(CO)Br 1P01A2R0 [0,1,0,0,0,0|3,0,0]=4 546 B6R0.3 CC(=C)[C@@H](CO)N 1P027TTE [0,1,0,0,0,0|3,0,0]=4 547 B6R0.3 CC(=CC)C(=O)O 1P0010JQ [0,1,0,0,0,0|1,0,1]=3 548 B6R0.3 CC(=O)C(=O)CBr 1P00DFOD [0,1,0,0,0,0|1,0,2]=4 549 B6R0.3 CC(=O)C(=O)CCl 1P00DLOO [0,1,0,0,0,0|1,0,2]=4 550 B6R0.3 CC(=O)C(CO)O 1P01DWYU [0,1,0,0,0,0|1,0,0]=2 551 B6R0.3 CC(C(=C)C#N)C 1P007LPI [0,1,0,0,0,0|3,0,0]=4 552 B6R0.3 CC(C(=C)C)CBr 1P01IN35 [0,1,0,0,0,0|3,0,0]=4 553 B6R0.3 CC(C(=C)C)CO 1P01BSQ5 [0,1,0,0,0,0|2,0,0]=3 554 B6R0.3 CC(C(=N)N)CC 1P019XUO [0,1,0,0,0,0|3,0,0]=4 555 B6R0.3 CC(C(=N)N)OC 1P019Z90 [0,1,0,0,0,0|2,0,0]=3 556 B6R0.3 CC(C(=N)N)SC 1P0286CT [0,1,0,0,0,0|2,1,0]=4 557 B6R0.3 CC(C(=NN)N)C 1P027V3Z [0,1,0,0,0,0|3,0,0]=4 558 B6R0.3 CC(C(=O)C)C#N 1P00DEQK [0,1,0,0,0,0|2,0,0]=3 559 B6R0.3 CC(C(=O)C)CO 1P003LYQ [0,1,0,0,0,0|1,0,0]=2 560 B6R0.3 CC(C(=O)CCl)N 1P01C1VM [0,1,0,0,0,0|2,0,0]=3 561 B6R0.3 CC(C(=O)N)C#N 1P005SOR [0,1,0,0,0,0|2,0,0]=3 562 B6R0.3 CC(C(=O)N)CC 1P0082Z0 [0,1,0,0,0,0|2,0,0]=3 563 B6R0.3 CC(C(=O)N)NC 1P00C8TM [0,1,0,0,0,0|2,0,0]=3 564 B6R0.3 CC(C(=O)N)NC 1P01A4VK [0,1,0,0,0,0|2,0,0]=3 565 B6R0.3 CC(C(=O)N)OC 1P01AKMI [0,1,0,0,0,0|1,0,0]=2 566 B6R0.3 CC(C(=O)N)SC 1P028ALZ [0,1,0,0,0,0|1,1,0]=3 567 B6R0.3 CC(C(=O)NN)O 1P002TZE [0,1,0,0,0,0|1,0,0]=2 568 B6R0.3 CC(C(=O)NN)S 1P0286RQ [0,1,0,0,0,0|1,1,0]=3 569 B6R0.3 CC(C(=O)O)C#N 1P00EBJM [0,1,0,0,0,0|1,0,0]=2 570 B6R0.3 CC(C(=O)O)C=C 1P00DA69 [0,1,0,0,0,0|1,0,0]=2 571 B6R0.3 CC(C(=O)O)CBr 1P00342O [0,1,0,0,0,0|1,0,0]=2 572 B6R0.3 CC(C(=O)O)CC 1P000BT8 [0,1,0,0,0,0|1,0,0]=2 573 B6R0.3 CC(C(=O)O)CF 1P01B7CT [0,1,0,0,0,0|1,0,0]=2 574 B6R0.3 CC(C(=O)O)CN 1P001J7M [0,1,0,0,0,0|1,0,0]=2 575 B6R0.3 CC(C(=O)O)CN 1P00381Y [0,1,0,0,0,0|1,0,0]=2 576 B6R0.3 CC(C(=O)O)CN 1P00C2SB [0,1,0,0,0,0|1,0,0]=2 577 B6R0.3 CC(C(=O)O)CS 1P002TTJ [0,1,0,0,0,0|0,1,0]=2 578 B6R0.3 CC(C(=O)O)NC 1P003BEG [0,1,0,0,0,0|1,0,0]=2 579 B6R0.3 CC(C(=O)O)NC 1P00CLMV [0,1,0,0,0,0|1,0,0]=2 580 B6R0.3 CC(C(=O)O)OC 1P0037PR [0,1,0,0,0,0|0,0,0]=1 581 B6R0.3 CC(C(=O)O)ON 1P003AZJ [0,1,0,0,0,0|0,0,0]=1 582 B6R0.3 CC(C(=O)O)SC 1P00EEEC [0,1,0,0,0,0|0,1,0]=2 583 B6R0.3 CC(C(=S)N)CC 1P01AD68 [0,1,0,0,0,0|2,1,0]=4 584 B6R0.3 CC(C(=S)N)OC 1P019YTS [0,1,0,0,0,0|1,1,0]=3 585 B6R0.3 CC(C(CN)O)F 1P028GWI [0,1,0,0,0,0|2,0,1]=4 586 B6R0.3 CC(C(CN)O)O 1P01BSAX [0,1,0,0,0,0|1,0,1]=3 587 B6R0.3 CC(C(CO)O)N 1P01B7GK [0,1,0,0,0,0|1,0,2]=4 588 B6R0.3 CC(C(N)C)CO 1P01AKSV [0,1,0,0,0,0|2,0,1]=4 589 B6R0.3 CC(C(O)C)CN 1P01BN8Y [0,1,0,0,0,0|2,0,1]=4 590 B6R0.3 CC(C(S)C)CO 1P00347B [0,1,0,0,0,0|1,1,1]=4 591 B6R0.3 CC(N(N)C)CO 1P01C4O6 [0,1,0,0,0,0|3,0,0]=4 592 B6R0.3 CC(N(N=O)C)C 1P00BX3Z [0,1,0,0,0,0|3,0,0]=4 593 B6R0.3 CC(S(=O)C)CN 1P01A2LM [0,1,0,0,0,0|3,0,0]=4 594 B6R0.3 CC(S(=O)Cl)CC 1P01C8L7 [0,1,0,0,0,0|3,0,0]=4 595 B6R0.3 CC(\C(=N\O)\N)C 1P004QVA [0,1,0,0,0,0|2,0,0]=3 596 B6R0.3 CC=C(C(=O)C)C 1P00EA6O [0,1,0,0,0,0|2,0,1]=4 597 B6R0.3 CC=C(C(=O)O)Cl 1P01HMWU [0,1,0,0,0,0|1,0,1]=3 598 B6R0.3 CCC(=C)C(=O)Cl 1P0073CG [0,1,0,0,0,0|2,0,1]=4 599 B6R0.3 CCC(=C)C(=O)O 1P00CJ69 [0,1,0,0,0,0|1,0,1]=3 600 B6R0.3 CCC(=O)C(=C)C 1P00CDIA [0,1,0,0,0,0|2,0,1]=4 601 B6R0.3 CCC(=O)C(=O)O 1P003HYL [0,1,0,0,0,0|0,0,2]=3 602 B6R0.3 CCC(=O)C(Br)C 1P0052P7 [0,1,0,0,0,0|2,0,0]=3 603 B6R0.3 CCC(=O)C(C)C 1P00E9N8 [0,1,0,0,0,0|2,0,0]=3 604 B6R0.3 CCC(=O)C(Cl)C 1P007UU5 [0,1,0,0,0,0|2,0,0]=3 605 B6R0.3 CCC(=O)C(F)F 1P01XBYL [0,1,0,0,0,0|3,0,0]=4 606 B6R0.3 CCC(=O)C(N)C 1P024M3X [0,1,0,0,0,0|2,0,0]=3 607 B6R0.3 CCC(=O)C(O)C 1P00EZCO [0,1,0,0,0,0|1,0,0]=2 608 B6R0.3 CCC(=O)C(S)C 1P00AE60 [0,1,0,0,0,0|1,1,0]=3 609 B6R0.3 CCC(=O)N(C)C 1P003T2A [0,1,0,0,0,0|3,0,0]=4 610 B6R0.3 CCC(B(O)O)C 1P003518 [0,1,0,0,0,0|2,0,1]=4 611 B6R0.3 CCC(C(=N)N)O 1P01BFO4 [0,1,0,0,0,0|2,0,0]=3 612 B6R0.3 CCC(C(=O)Br)Br 1P002S1O [0,1,0,0,0,0|2,0,0]=3 613 B6R0.3 CCC(C(=O)C)Br 1P008MK8 [0,1,0,0,0,0|2,0,0]=3 614 B6R0.3 CCC(C(=O)C)C 1P0037NS [0,1,0,0,0,0|2,0,0]=3 615 B6R0.3 CCC(C(=O)C)S 1P003K2Z [0,1,0,0,0,0|1,1,0]=3 616 B6R0.3 CCC(C(=O)Cl)Br 1P007Q0D [0,1,0,0,0,0|2,0,0]=3 617 B6R0.3 CCC(C(=O)Cl)Cl 1P003HIO [0,1,0,0,0,0|2,0,0]=3 618 B6R0.3 CCC(C(=O)N)Br 1P00394S [0,1,0,0,0,0|2,0,0]=3 619 B6R0.3 CCC(C(=O)N)Cl 1P003HIM [0,1,0,0,0,0|2,0,0]=3 620 B6R0.3 CCC(C(=O)N)N 1P00DIK4 [0,1,0,0,0,0|2,0,0]=3 621 B6R0.3 CCC(C(=O)N)N 1P01ALHP [0,1,0,0,0,0|2,0,0]=3 622 B6R0.3 CCC(C(=O)N)O 1P01A5K5 [0,1,0,0,0,0|1,0,0]=2 623 B6R0.3 CCC(C(=O)O)Br 1P003720 [0,1,0,0,0,0|1,0,0]=2 624 B6R0.3 CCC(C(=O)O)Cl 1P003HIN [0,1,0,0,0,0|1,0,0]=2 625 B6R0.3 CCC(C(=O)O)O 1P003Q9H [0,1,0,0,0,0|0,0,0]=1 626 B6R0.3 CCC(C(=O)O)S 1P002TTI [0,1,0,0,0,0|0,1,0]=2 627 B6R0.3 CCC(C(C)C)O 1P003I6Q [0,1,0,0,0,0|2,0,1]=4 628 B6R0.3 CCC(C(F)F)O 1P01PMD6 [0,1,0,0,0,0|2,0,1]=4 629 B6R0.3 CCC(C(N)C)O 1P01A9UN [0,1,0,0,0,0|2,0,1]=4 630 B6R0.3 CCC(C(O)C)C 1P003K61 [0,1,0,0,0,0|2,0,1]=4 631 B6R0.3 CCC(C(O)C)N 1P01AVCT [0,1,0,0,0,0|2,0,1]=4 632 B6R0.3 CCC(C(O)C)O 1P00397E [0,1,0,0,0,0|1,0,1]=3 633 B6R0.3 CCN(C(=O)C)C 1P00D490 [0,1,0,0,0,0|3,0,0]=4 634 B6R0.3 CCN(C(=O)N)N 1P01DGMT [0,1,0,0,0,0|3,0,0]=4 635 B6R0.3 CC[C@@H](C(=O)N)N 1P003RNL [0,1,0,0,0,0|2,0,0]=3 636 B6R0.3 CC[C@@H](C(=O)N)N 1P00FCWE [0,1,0,0,0,0|2,0,0]=3 637 B6R0.3 CC[C@@H](C(=O)O)Br 1P00C7MK [0,1,0,0,0,0|1,0,0]=2 638 B6R0.3 CC[C@@H](C(=O)O)N 1P001LWU [0,1,0,0,0,0|1,0,0]=2 639 B6R0.3 CC[C@@H](C(=O)O)N 1P003REQ [0,1,0,0,0,0|1,0,0]=2 640 B6R0.3 CC[C@@H](C(=O)O)O 1P00382V [0,1,0,0,0,0|0,0,0]=1 641 B6R0.3 CC[C@@H](C(=O)O)S 1P00HI32 [0,1,0,0,0,0|0,1,0]=2 642 B6R0.3 CC[C@@H](C(=[Se])O)N 1P004JBG [0,1,0,0,0,0|1,1,0]=3 643 B6R0.3 CC[C@@H](C(C)C)O 1P01DX2T [0,1,0,0,0,0|2,0,1]=4 644 B6R0.3 CC[C@@H]([C@@H](O)C)N 1P01XDIC [0,1,0,0,0,0|2,0,1]=4 645 B6R0.3 CC[C@@H]([C@H](O)C)N 1P01EFZM [0,1,0,0,0,0|2,0,1]=4 646 B6R0.3 CC[C@H](C(=O)N)N 1P0032U6 [0,1,0,0,0,0|2,0,0]=3 647 B6R0.3 CC[C@H](C(=O)O)Br 1P006UE3 [0,1,0,0,0,0|1,0,0]=2 648 B6R0.3 CC[C@H](C(=O)O)Cl 1P003CM0 [0,1,0,0,0,0|1,0,0]=2 649 B6R0.3 CC[C@H](C(=O)O)N 1P002SV0 [0,1,0,0,0,0|1,0,0]=2 650 B6R0.3 CC[C@H](C(=O)O)O 1P002D2A [0,1,0,0,0,0|0,0,0]=1 651 B6R0.3 CC[C@H](C(C)C)O 1P01DX0X [0,1,0,0,0,0|2,0,1]=4 652 B6R0.3 CC[C@H]([C@@H](O)C)N 1P01JUYU [0,1,0,0,0,0|2,0,1]=4 653 B6R0.3 CC[C@H]([C@@H](O)C)N 1P01K8CX [0,1,0,0,0,0|2,0,1]=4 654 B6R0.3 CC[C@H]([C@H](O)C)N 1P00K8Q8 [0,1,0,0,0,0|2,0,1]=4 655 B6R0.3 CC[C@H]([C@H](O)C)N 1P024U1N [0,1,0,0,0,0|2,0,1]=4 656 B6R0.3 CN(C(=O)C#C)C 1P00BW4W [0,1,0,0,0,0|3,0,0]=4 657 B6R0.3 CN(C(=O)C)C=C 1P003TOY [0,1,0,0,0,0|3,0,0]=4 658 B6R0.3 CN(C(=O)CN)O 1P01DWSB [0,1,0,0,0,0|2,0,0]=3 659 B6R0.3 CN(C(=O)Cl)C=C 1P028KS9 [0,1,0,0,0,0|3,0,0]=4 660 B6R0.3 CN(C(=O)Cl)CC 1P003THC [0,1,0,0,0,0|3,0,0]=4 661 B6R0.3 CN(C(=O)Cl)OC 1P002ZXO [0,1,0,0,0,0|2,0,0]=3 662 B6R0.3 CNC(=O)C(=C)C 1P003TMG [0,1,0,0,0,0|2,0,1]=4 663 B6R0.3 CNC(=O)C(=O)O 1P002YCG [0,1,0,0,0,0|0,0,2]=3 664 B6R0.3 CNC(=O)C(Br)C 1P00J7KD [0,1,0,0,0,0|2,0,0]=3 665 B6R0.3 CNC(=O)C(Br)F 1P00DD6M [0,1,0,0,0,0|3,0,0]=4 666 B6R0.3 CNC(=O)C(Cl)C 1P003HJL [0,1,0,0,0,0|2,0,0]=3 667 B6R0.3 CNC(=O)C(N)C 1P00C945 [0,1,0,0,0,0|2,0,0]=3 668 B6R0.3 CNC(=O)C(N)C 1P00D3XQ [0,1,0,0,0,0|2,0,0]=3 669 B6R0.3 CNC(=O)C(O)C 1P01BGYW [0,1,0,0,0,0|1,0,0]=2 670 B6R0.3 CNC(=O)N(C)C 1P003VLG [0,1,0,0,0,0|3,0,0]=4 671 B6R0.3 CNC(=O)[C@@H](N)C 1P00E9L3 [0,1,0,0,0,0|2,0,0]=3 672 B6R0.3 CNC(=O)[C@@H](O)C 1P01DT9Q [0,1,0,0,0,0|1,0,0]=2 673 B6R0.3 CNC(=O)[C@H](N)C 1P00A8IQ [0,1,0,0,0,0|2,0,0]=3 674 B6R0.3 CNC(=O)[C@H](O)C 1P01DT9E [0,1,0,0,0,0|1,0,0]=2 675 B6R0.3 COC(=C)C(=O)O 1P00D1D1 [0,1,0,0,0,0|0,0,2]=3 676 B6R0.3 COC(=N)C(C)C 1P00I89Q [0,1,0,0,0,0|2,0,0]=3 677 B6R0.3 COC(=O)C(=C)Br 1P0035PZ [0,1,0,0,0,0|1,0,2]=4 678 B6R0.3 COC(=O)C(=C)C 1P003SHL [0,1,0,0,0,0|1,0,1]=3 679 B6R0.3 COC(=O)C(=C)F 1P002NO2 [0,1,0,0,0,0|1,0,2]=4 680 B6R0.3 COC(=O)C(=N)N 1P00EBRL [0,1,0,0,0,0|2,0,1]=4 681 B6R0.3 COC(=O)C(=O)C 1P003SJ7 [0,1,0,0,0,0|0,0,2]=3 682 B6R0.3 COC(=O)C(=O)Cl 1P003936 [0,1,0,0,0,0|1,0,2]=4 683 B6R0.3 COC(=O)C(=O)O 1P00F3G0 [0,1,0,0,0,0|0,0,2]=3 684 B6R0.3 COC(=O)C(=S)N 1P004LWC [0,1,0,0,0,0|1,1,1]=4 685 B6R0.3 COC(=O)C(Br)Br 1P00EA1P [0,1,0,0,0,0|2,0,0]=3 686 B6R0.3 COC(=O)C(Br)C 1P0035MN [0,1,0,0,0,0|1,0,0]=2 687 B6R0.3 COC(=O)C(C)C 1P0035PL [0,1,0,0,0,0|1,0,0]=2 688 B6R0.3 COC(=O)C(Cl)C 1P00254C [0,1,0,0,0,0|1,0,0]=2 689 B6R0.3 COC(=O)C(Cl)Cl 1P000BT7 [0,1,0,0,0,0|2,0,0]=3 690 B6R0.3 COC(=O)C(F)C 1P002OJG [0,1,0,0,0,0|1,0,0]=2 691 B6R0.3 COC(=O)C(F)F 1P0035PE [0,1,0,0,0,0|2,0,0]=3 692 B6R0.3 COC(=O)C(N)C 1P00359D [0,1,0,0,0,0|1,0,0]=2 693 B6R0.3 COC(=O)C(O)C 1P003SGS [0,1,0,0,0,0|0,0,0]=1 694 B6R0.3 COC(=O)C(S)C 1P00DE8J [0,1,0,0,0,0|0,1,0]=2 695 B6R0.3 COC(=O)N(C)C 1P01EIEX [0,1,0,0,0,0|2,0,0]=3 696 B6R0.3 COC(=O)N(N)C 1P002IVE [0,1,0,0,0,0|2,0,0]=3 697 B6R0.3 COC(=O)[C@@H](Cl)C 1P003BSC [0,1,0,0,0,0|1,0,0]=2 698 B6R0.3 COC(=O)[C@@H](N)C 1P002QBA [0,1,0,0,0,0|1,0,0]=2 699 B6R0.3 COC(=O)[C@@H](O)C 1P0035LT [0,1,0,0,0,0|0,0,0]=1 700 B6R0.3 COC(=O)[C@H](Br)C 1P002D9M [0,1,0,0,0,0|1,0,0]=2 701 B6R0.3 COC(=O)[C@H](N)C 1P0038KG [0,1,0,0,0,0|1,0,0]=2 702 B6R0.3 COC(=O)[C@H](O)C 1P0032RK [0,1,0,0,0,0|0,0,0]=1 703 B6R0.3 COC(C(=O)C)C 1P01A0W5 [0,1,0,0,0,0|1,0,0]=2 704 B6R0.3 COC(C(Br)C)C 1P01BYDF [0,1,0,0,0,0|2,0,1]=4 705 B6R0.3 COC(C(N)C)C 1P01ALIL [0,1,0,0,0,0|2,0,1]=4 706 B6R0.3 COC(C(O)C)C 1P00DK0D [0,1,0,0,0,0|1,0,1]=3 707 B6R0.3 COC(C(S)C)C 1P0289S0 [0,1,0,0,0,0|1,1,1]=4 708 B6R0.3 COC([C@@H](N)C)C 1P01B1OR [0,1,0,0,0,0|2,0,1]=4 709 B6R0.3 COC([C@H](N)C)C 1P00AO5T [0,1,0,0,0,0|2,0,1]=4 710 B6R0.3 CON(C(=O)C)C 1P0035UT [0,1,0,0,0,0|2,0,0]=3 711 B6R0.3 CO[C@@H]([C@H](N)C)C 1P02870Y [0,1,0,0,0,0|2,0,1]=4 712 B6R0.3 CO[C@H]([C@@H](N)C)C 1P028NAF [0,1,0,0,0,0|2,0,1]=4 713 B6R0.3 CSC(C(O)C)C 1P001W4K [0,1,0,0,0,0|1,1,1]=4 714 B6R0.3 C[C@@H](C(=C)CBr)O 1P01BU6X [0,1,0,0,0,0|2,0,0]=3 715 B6R0.3 C[C@@H](C(=O)CBr)N 1P028022 [0,1,0,0,0,0|2,0,0]=3 716 B6R0.3 C[C@@H](C(=O)N)NC 1P00J3DG [0,1,0,0,0,0|2,0,0]=3 717 B6R0.3 C[C@@H](C(=O)O)CC 1P0032VK [0,1,0,0,0,0|1,0,0]=2 718 B6R0.3 C[C@@H](C(=O)O)CN 1P00BI27 [0,1,0,0,0,0|1,0,0]=2 719 B6R0.3 C[C@@H](C(=O)O)NC 1P00I86T [0,1,0,0,0,0|1,0,0]=2 720 B6R0.3 C[C@@H](C(=O)O)OC 1P0039C4 [0,1,0,0,0,0|0,0,0]=1 721 B6R0.3 C[C@@H](C(=O)O)ON 1P01XFJR [0,1,0,0,0,0|0,0,0]=1 722 B6R0.3 C[C@@H](O)[C@@H](N)CC 1P01FWTF [0,1,0,0,0,0|2,0,1]=4 723 B6R0.3 C[C@@H]([C@H](O)C)C=C 1P01XCHP [0,1,0,0,0,0|2,0,1]=4 724 B6R0.3 C[C@H](C(=O)N)NC 1P00J3CW [0,1,0,0,0,0|2,0,0]=3 725 B6R0.3 C[C@H](C(=O)NO)N 1P01DWTY [0,1,0,0,0,0|1,0,0]=2 726 B6R0.3 C[C@H](C(=O)O)CC 1P0032WP [0,1,0,0,0,0|1,0,0]=2 727 B6R0.3 C[C@H](C(=O)O)CN 1P00CJ9Y [0,1,0,0,0,0|1,0,0]=2 728 B6R0.3 C[C@H](C(=O)O)CN 1P00H3B0 [0,1,0,0,0,0|1,0,0]=2 729 B6R0.3 C[C@H](C(=O)O)NC 1P002YZ5 [0,1,0,0,0,0|1,0,0]=2 730 B6R0.3 C[C@H](C(=O)O)OC 1P0032UO [0,1,0,0,0,0|0,0,0]=1 731 B6R0.3 C[C@H](C(=O)O)ON 1P01XFIY [0,1,0,0,0,0|0,0,0]=1 732 B6R0.3 C[C@H]([C@@H](O)C)C=C 1P01H7DW [0,1,0,0,0,0|2,0,1]=4 733 B6R0.3 C[C@H]([C@H](O)C)C=C 1P02031P [0,1,0,0,0,0|2,0,1]=4 734 B6R0.3 C\C(=C/C)\C(=O)O 1P00365V [0,1,0,0,0,0|1,0,1]=3 735 B6R0.3 C\C(=C\C)\C(=O)O 1P00EARA [0,1,0,0,0,0|1,0,1]=3 736 B6R0.3 C\C(=N/O)\C(=O)C 1P00IAMV [0,1,0,0,0,0|1,0,1]=3 737 B6R0.3 C\C=C(\C(=O)C)/C 1P027W3W [0,1,0,0,0,0|2,0,1]=4 738 B6R0.3 ClC(=O)C(CBr)Br 1P002H1M [0,1,0,0,0,0|2,0,0]=3 739 B6R0.3 ClCC(=O)C(C)C 1P0025F5 [0,1,0,0,0,0|2,0,0]=3 740 B6R0.3 ClCC(=O)C(Cl)C 1P001XMQ [0,1,0,0,0,0|2,0,0]=3 741 B6R0.3 ClCC(=O)C(Cl)Cl 1P003DNA [0,1,0,0,0,0|3,0,0]=4 742 B6R0.3 ClCC(=O)N(C)C 1P003HJI [0,1,0,0,0,0|3,0,0]=4 743 B6R0.3 ClCC(C(=O)Cl)Cl 1P005RZV [0,1,0,0,0,0|2,0,0]=3 744 B6R0.3 ClCC(C(C)C)O 1P01B8ZZ [0,1,0,0,0,0|2,0,1]=4 745 B6R0.3 ClCC(C(Cl)C)O 1P01DVHD [0,1,0,0,0,0|2,0,1]=4 746 B6R0.3 ClCN(C(=O)Cl)C 1P01BSLX [0,1,0,0,0,0|3,0,0]=4 747 B6R0.3 FC(C(=NO)N)F 1P01C2K9 [0,1,0,0,0,0|3,0,0]=4 748 B6R0.3 ICC(=O)N(C)C 1P008QTC [0,1,0,0,0,0|3,0,0]=4 749 B6R0.3 IC[C@H](C(=C)I)C 1P00I984 [0,1,0,0,0,0|3,0,0]=4 750 B6R0.3 NC(=O)C(C#N)Br 1P0082Z1 [0,1,0,0,0,0|2,0,1]=4 751 B6R0.3 NC(=O)C(CBr)Br 1P001NI4 [0,1,0,0,0,0|2,0,0]=3 752 B6R0.3 NC(=O)C(CCl)Cl 1P003FYF [0,1,0,0,0,0|2,0,0]=3 753 B6R0.3 NC(C(=O)N)C#N 1P00649H [0,1,0,0,0,0|2,0,1]=4 754 B6R0.3 NC(C(=O)N)CO 1P01B58Z [0,1,0,0,0,0|2,0,0]=3 755 B6R0.3 NC(C(=O)N)CS 1P01DX7L [0,1,0,0,0,0|2,0,0]=3 756 B6R0.3 NC(C(=O)O)C=C 1P003XPM [0,1,0,0,0,0|1,0,1]=3 757 B6R0.3 NC(C(=O)O)CCl 1P00CA7T [0,1,0,0,0,0|1,0,0]=2 758 B6R0.3 NC(C(=O)O)CF 1P00DGN8 [0,1,0,0,0,0|1,0,0]=2 759 B6R0.3 NC(C(=O)O)CN 1P003943 [0,1,0,0,0,0|1,0,0]=2 760 B6R0.3 NC(C(=O)O)CN 1P003FXC [0,1,0,0,0,0|1,0,0]=2 761 B6R0.3 NC(C(=O)O)CS 1P0035K1 [0,1,0,0,0,0|1,0,0]=2 762 B6R0.3 NC(C(=O)O)CS 1P003QAD [0,1,0,0,0,0|1,0,0]=2 763 B6R0.3 NC(C(=O)O)CS 1P003QAE [0,1,0,0,0,0|1,0,0]=2 764 B6R0.3 NC(C(=O)O)CS 1P006OTU [0,1,0,0,0,0|1,0,0]=2 765 B6R0.3 NCC(=O)C(C)C 1P01AI3X [0,1,0,0,0,0|2,0,0]=3 766 B6R0.3 NCC(=O)N(C)C 1P002DCJ [0,1,0,0,0,0|3,0,0]=4 767 B6R0.3 NCC(=O)N(C)C 1P00374V [0,1,0,0,0,0|3,0,0]=4 768 B6R0.3 NCC(=O)N(C)C 1P00774H [0,1,0,0,0,0|3,0,0]=4 769 B6R0.3 NCC(C(=O)N)O 1P01BFL9 [0,1,0,0,0,0|1,0,0]=2 770 B6R0.3 NCC(C(=O)O)F 1P003HSD [0,1,0,0,0,0|1,0,0]=2 771 B6R0.3 NCC(C(=O)O)F 1P003Q9F [0,1,0,0,0,0|1,0,0]=2 772 B6R0.3 NCC(C(=O)O)O 1P00IAJH [0,1,0,0,0,0|0,0,0]=1 773 B6R0.3 NCC(C(C)C)O 1P00AMTI [0,1,0,0,0,0|2,0,1]=4 774 B6R0.3 NCC(C(C)C)O 1P01AKSJ [0,1,0,0,0,0|2,0,1]=4 775 B6R0.3 NCC(C(F)F)O 1P00I8S2 [0,1,0,0,0,0|2,0,1]=4 776 B6R0.3 NCC(C(O)C)N 1P01AKOA [0,1,0,0,0,0|2,0,1]=4 777 B6R0.3 NC[C@@H](C(=O)O)N 1P002BHJ [0,1,0,0,0,0|1,0,0]=2 778 B6R0.3 NC[C@@H](C(=O)O)O 1P00IBMO [0,1,0,0,0,0|0,0,0]=1 779 B6R0.3 NC[C@H](C(=O)O)F 1P01C2S9 [0,1,0,0,0,0|1,0,0]=2 780 B6R0.3 NC[C@H](C(=O)O)O 1P00IBMN [0,1,0,0,0,0|0,0,0]=1 781 B6R0.3 NC[C@H](C(C)C)O 1P00J2SF [0,1,0,0,0,0|2,0,1]=4 782 B6R0.3 NNC(=O)C(C)C 1P00I7MY [0,1,0,0,0,0|2,0,0]=3 783 B6R0.3 NNC(=O)C(F)F 1P003FN1 [0,1,0,0,0,0|3,0,0]=4 784 B6R0.3 NNC(=O)N(C)C 1P00J7PZ [0,1,0,0,0,0|3,0,0]=4 785 B6R0.3 N[C@@H](C(=O)N)CO 1P000JHQ [0,1,0,0,0,0|2,0,0]=3 786 B6R0.3 N[C@@H](C(=O)O)C=C 1P0097X9 [0,1,0,0,0,0|1,0,1]=3 787 B6R0.3 N[C@@H](C(=O)O)CBr 1P0285EG [0,1,0,0,0,0|1,0,0]=2 788 B6R0.3 N[C@@H](C(=O)O)CCl 1P00C7GL [0,1,0,0,0,0|1,0,0]=2 789 B6R0.3 N[C@@H](C(=O)O)CCl 1P00DFAR [0,1,0,0,0,0|1,0,0]=2 790 B6R0.3 N[C@@H](C(=O)O)CF 1P0078KD [0,1,0,0,0,0|1,0,0]=2 791 B6R0.3 N[C@@H](C(=O)O)CN 1P002FR4 [0,1,0,0,0,0|1,0,0]=2 792 B6R0.3 N[C@@H](C(=O)O)CN 1P003422 [0,1,0,0,0,0|1,0,0]=2 793 B6R0.3 N[C@@H](C(=O)O)CS 1P002JBZ [0,1,0,0,0,0|1,0,0]=2 794 B6R0.3 N[C@@H](C(=O)O)CS 1P00I6LW [0,1,0,0,0,0|1,0,0]=2 795 B6R0.3 N[C@@H](C(=O)O)CS 1P00IHHG [0,1,0,0,0,0|1,0,0]=2 796 B6R0.3 N[C@H](C(=O)N)CO 1P003RU0 [0,1,0,0,0,0|2,0,0]=3 797 B6R0.3 N[C@H](C(=O)O)C=C 1P003AKV [0,1,0,0,0,0|1,0,1]=3 798 B6R0.3 N[C@H](C(=O)O)CBr 1P028ADI [0,1,0,0,0,0|1,0,0]=2 799 B6R0.3 N[C@H](C(=O)O)CCl 1P00344Z [0,1,0,0,0,0|1,0,0]=2 800 B6R0.3 N[C@H](C(=O)O)CF 1P028KPH [0,1,0,0,0,0|1,0,0]=2 801 B6R0.3 N[C@H](C(=O)O)CN 1P001FZQ [0,1,0,0,0,0|1,0,0]=2 802 B6R0.3 N[C@H](C(=O)O)CN 1P00C7HL [0,1,0,0,0,0|1,0,0]=2 803 B6R0.3 N[C@H](C(=O)O)CS 1P000DOJ [0,1,0,0,0,0|1,0,0]=2 804 B6R0.3 N[C@H](C(=O)O)CS 1P0035JZ [0,1,0,0,0,0|1,0,0]=2 805 B6R0.3 N[C@H](C(=O)O)CS 1P003RPD [0,1,0,0,0,0|1,0,0]=2 806 B6R0.3 N[C@H](C(=O)O)C[SeH] 1P0007PW [0,1,0,0,0,0|1,0,0]=2 807 B6R0.3 N\C(=N/O)\C(=O)N 1P00AU5J [0,1,0,0,0,0|2,0,1]=4 808 B6R0.3 O=CC(C(=O)C)Br 1P008EEH [0,1,0,0,0,0|2,0,1]=4 809 B6R0.3 O=CC(C(C)C)Br 1P01A6VL [0,1,0,0,0,0|2,0,1]=4 810 B6R0.3 O=CC(C(C)C)C 1P002LJ1 [0,1,0,0,0,0|2,0,1]=4 811 B6R0.3 OC(=O)C(=C)CBr 1P003FGN [0,1,0,0,0,0|1,0,1]=3 812 B6R0.3 OC(=O)C(=O)C=C 1P00F11D [0,1,0,0,0,0|0,0,3]=4 813 B6R0.3 OC(=O)C(=O)CBr 1P002J71 [0,1,0,0,0,0|0,0,2]=3 814 B6R0.3 OC(=O)C(=O)CBr 1P0036BQ [0,1,0,0,0,0|0,0,2]=3 815 B6R0.3 OC(=O)C(=O)CCl 1P00CAPJ [0,1,0,0,0,0|0,0,2]=3 816 B6R0.3 OC(=O)C(C=C)Cl 1P01B91R [0,1,0,0,0,0|1,0,1]=3 817 B6R0.3 OC(=O)C(CBr)Br 1P00392R [0,1,0,0,0,0|1,0,0]=2 818 B6R0.3 OC(=O)C(CCl)Cl 1P003FYG [0,1,0,0,0,0|1,0,0]=2 819 B6R0.3 OC(=O)C(CF)Br 1P001X8V [0,1,0,0,0,0|1,0,0]=2 820 B6R0.3 OC(=O)\C(=C\Cl)\Cl 1P00D040 [0,1,0,0,0,0|1,0,2]=4 821 B6R0.3 OC(C(=O)O)C#C 1P003HUH [0,1,0,0,0,0|0,0,1]=2 822 B6R0.3 OC(C(=O)O)C=C 1P00F3FZ [0,1,0,0,0,0|0,0,1]=2 823 B6R0.3 OC(C(=O)O)CBr 1P00CRVV [0,1,0,0,0,0|0,0,0]=1 824 B6R0.3 OC(C(=O)O)CCl 1P00369Z [0,1,0,0,0,0|0,0,0]=1 825 B6R0.3 OC(C(C)C)C#N 1P00ACOK [0,1,0,0,0,0|2,0,1]=4 826 B6R0.3 OCC(=C(C)C)Br 1P01EMPR [0,1,0,0,0,0|2,0,1]=4 827 B6R0.3 OCC(=C(C)C)C 1P01ANFK [0,1,0,0,0,0|2,0,1]=4 828 B6R0.3 OCC(=C(C)C)F 1P028XLO [0,1,0,0,0,0|2,0,1]=4 829 B6R0.3 OCC(=C)C(=O)O 1P01AEEH [0,1,0,0,0,0|0,0,2]=3 830 B6R0.3 OCC(=O)C(=O)O 1P0092L4 [0,1,0,0,0,0|0,0,2]=3 831 B6R0.3 OCC(=O)C(C)C 1P00CYUK [0,1,0,0,0,0|1,0,0]=2 832 B6R0.3 OCC(=O)N(C)C 1P001EMJ [0,1,0,0,0,0|2,0,0]=3 833 B6R0.3 OCC(C(=O)O)Br 1P001VQN [0,1,0,0,0,0|1,0,0]=2 834 B6R0.3 OCC(C(=O)O)C 1P002J5U [0,1,0,0,0,0|0,0,0]=1 835 B6R0.3 OCC(C(=O)O)N 1P003QB8 [0,1,0,0,0,0|1,0,0]=2 836 B6R0.3 OCC(C(=O)O)O 1P003P4H [0,1,0,0,0,0|0,0,0]=1 837 B6R0.3 OCC(C(=O)O)O 1P003R8N [0,1,0,0,0,0|0,0,0]=1 838 B6R0.3 OCC(C(=O)[O-])O 1P024HGG [0,1,0,0,0,0|0,0,1]=2 839 B6R0.3 OCC(C(C)C)C 1P00B0NI [0,1,0,0,0,0|2,0,1]=4 840 B6R0.3 OCC(C(C)C)F 1P028GKG [0,1,0,0,0,0|2,0,1]=4 841 B6R0.3 OCC(C(C)C)N 1P001US2 [0,1,0,0,0,0|2,0,1]=4 842 B6R0.3 OCC(C(C)C)O 1P006Z3A [0,1,0,0,0,0|1,0,2]=4 843 B6R0.3 OCC(C(C)C)S 1P000CGY [0,1,0,0,0,0|1,1,1]=4 844 B6R0.3 OCC(C(F)F)C 1P028DPZ [0,1,0,0,0,0|2,0,1]=4 845 B6R0.3 OCC(C(O)C)C 1P0063UD [0,1,0,0,0,0|1,0,1]=3 846 B6R0.3 OCC(C(O)C)O 1P003DR9 [0,1,0,0,0,0|0,0,2]=3 847 B6R0.3 OCC(N(C)C)C 1P00AQ1A [0,1,0,0,0,0|3,0,0]=4 848 B6R0.3 OC[C@@H](C(=O)O)Br 1P005HBV [0,1,0,0,0,0|1,0,0]=2 849 B6R0.3 OC[C@@H](C(=O)O)N 1P003RTZ [0,1,0,0,0,0|1,0,0]=2 850 B6R0.3 OC[C@@H](C(C)C)N 1P00I8PU [0,1,0,0,0,0|2,0,1]=4 851 B6R0.3 OC[C@@H](N(C)C)C 1P01B9AP [0,1,0,0,0,0|3,0,0]=4 852 B6R0.3 OC[C@@H]([C@@H](O)C)N 1P003QCZ [0,1,0,0,0,0|1,0,1]=3 853 B6R0.3 OC[C@@H]([C@H](O)C)N 1P00DBEP [0,1,0,0,0,0|1,0,1]=3 854 B6R0.3 OC[C@H](C(=O)O)Br 1P023N89 [0,1,0,0,0,0|1,0,0]=2 855 B6R0.3 OC[C@H](C(=O)O)C 1P002FFU [0,1,0,0,0,0|0,0,0]=1 856 B6R0.3 OC[C@H](C(=O)O)N 1P00I6B9 [0,1,0,0,0,0|1,0,0]=2 857 B6R0.3 OC[C@H](C(C)C)N 1P0028T6 [0,1,0,0,0,0|2,0,1]=4 858 B6R0.3 OC[C@H](C(C)C)N 1P007UVD [0,1,0,0,0,0|2,0,1]=4 859 B6R0.3 OC[C@H](C(F)F)O 1P01JL3L [0,1,0,0,0,0|2,0,1]=4 860 B6R0.3 OC[C@H](N(C)C)C 1P01B9AO [0,1,0,0,0,0|3,0,0]=4 861 B6R0.3 OC[C@H]([C@@H](O)C)N 1P0084EN [0,1,0,0,0,0|1,0,1]=3 862 B6R0.3 OC[C@H]([C@H](O)C)N 1P0035KQ [0,1,0,0,0,0|1,0,1]=3 863 B6R0.3 OC[C@H]([C@H](O)C)N 1P01ANMR [0,1,0,0,0,0|1,0,1]=3 864 B6R0.3 ON=C(N(C)C)N 1P01A0R4 [0,1,0,0,0,0|3,0,0]=4 865 B6R0.3 ON=C(N(C)C)N 1P01AFYR [0,1,0,0,0,0|3,0,0]=4 866 B6R0.3 ONC(=N)C(C)C 1P003RJ2 [0,1,0,0,0,0|2,0,0]=3 867 B6R0.3 ONC(=N)C(C)C 1P01DDTD [0,1,0,0,0,0|2,0,0]=3 868 B6R0.3 ONC(=N)C(Cl)Cl 1P005QH8 [0,1,0,0,0,0|3,0,0]=4 869 B6R0.3 ONC(=O)N(C)C 1P006VXQ [0,1,0,0,0,0|2,0,0]=3 870 B6R0.3 O[13CH2][13C@@H]([13C](=O)O)N 1P01CCY3 [0,1,0,0,0,0|1,0,0]=2 871 B6R0.3 O[C@@H](C(=O)O)CF 1P01DXE8 [0,1,0,0,0,0|0,0,0]=1 872 B6R0.3 O[C@@H](C(C)C)C#C 1P005QT9 [0,1,0,0,0,0|2,0,1]=4 873 B6R0.3 O[C@H](C(=O)O)CF 1P01G9M1 [0,1,0,0,0,0|0,0,0]=1 874 B6R0.3 O[C@H](C(C)C)C#C 1P005NS0 [0,1,0,0,0,0|2,0,1]=4 875 B6R0.3 [O-]C(=O)C(=O)CC 1P002DSR [0,1,0,0,0,0|0,0,3]=4 876 B6R0.3 [O-]C(=O)C(=O)CO 1P00C02U [0,1,0,0,0,0|0,0,3]=4 877 B6R0.3 [O-]C(=O)C(=O)CS 1P00086M [0,1,0,0,0,0|0,0,3]=4 878 B6R0.3 [O-]C(=O)C(=O)OC 1P00HADN [0,1,0,0,0,0|0,0,3]=4 879 B6R0.3 [O-]C(=O)C(CC)O 1P00DA6V [0,1,0,0,0,0|0,0,1]=2 880 B6R0.3 [O-]C(=O)C(CF)O 1P027W8B [0,1,0,0,0,0|0,0,1]=2 881 B6R0.3 [O-]C(=O)C(CO)C 1P00HH01 [0,1,0,0,0,0|0,0,1]=2 882 B6R0.3 [O-]C(=O)C(OC)F 1P01BFBH [0,1,0,0,0,0|1,0,1]=3 883 B6R0.3 [O-]S(=O)C(CC)C 1P01BCHM [0,1,0,0,0,0|2,0,1]=4 884 B6R0.3 [O-][N+](=O)C(CO)Br 1P00DR7G [0,1,0,0,0,0|2,0,1]=4 885 B6R0.3 [O-][N+](=O)C(CO)C 1P002VOQ [0,1,0,0,0,0|1,0,1]=3 886 B6R0.7 BrC(=C)C(C)(C)C 1P01EMLK [0,1,0,0,0,0|3,0,0]=4 887 B6R0.7 BrC(=O)C(Br)(C)C 1P002JOT [0,1,0,0,0,0|2,0,0]=3 888 B6R0.7 BrC(=O)C(Br)([2H])[2H] 1P01E4WI [0,1,0,0,0,0|3,0,0]=4 889 B6R0.7 C([2H])(C(=O)O)(N)[2H] 1P00DE7D [0,1,0,0,0,0|2,0,0]=3 890 B6R0.7 C([2H])(C(=O)[O-])([2H])[2H] 1P00BYPD [0,1,0,0,0,0|2,0,1]=4 891 B6R0.7 CC(=C)C(O)(C)C 1P007H43 [0,1,0,0,0,0|2,0,0]=3 892 B6R0.7 CC(=O)C(Br)(C)C 1P002TV2 [0,1,0,0,0,0|2,0,0]=3 893 B6R0.7 CC(=O)C(Br)(F)F 1P01EMCG [0,1,0,0,0,0|3,0,0]=4 894 B6R0.7 CC(=O)C(Cl)(C)C 1P00EDWH [0,1,0,0,0,0|2,0,0]=3 895 B6R0.7 CC(=O)C(Cl)(Cl)C 1P002TV6 [0,1,0,0,0,0|2,0,0]=3 896 B6R0.7 CC(=O)C(Cl)(F)F 1P008BD0 [0,1,0,0,0,0|3,0,0]=4 897 B6R0.7 CC(=O)C(F)(C)C 1P01DW0X [0,1,0,0,0,0|2,0,0]=3 898 B6R0.7 CC(=O)C(F)(F)C 1P008JA8 [0,1,0,0,0,0|2,0,0]=3 899 B6R0.7 CC(=O)C(N)(C)C 1P0006SC [0,1,0,0,0,0|2,0,0]=3 900 B6R0.7 CC(=O)C(O)(C)C 1P000G0I [0,1,0,0,0,0|1,0,0]=2 901 B6R0.7 CC(=O)[Si](C)(C)C 1P007N0S [0,1,0,0,0,0|2,1,0]=4 902 B6R0.7 CC(C(C)(C)C)O 1P003ITX [0,1,0,0,0,0|2,0,1]=4 903 B6R0.7 CC(C(Cl)(Cl)Cl)O 1P00G3S4 [0,1,0,0,0,0|2,0,1]=4 904 B6R0.7 CC(C(F)(F)C)O 1P027PCM [0,1,0,0,0,0|2,0,1]=4 905 B6R0.7 CC(C(F)(F)F)O 1P0021IZ [0,1,0,0,0,0|2,0,1]=4 906 B6R0.7 CC(C(N)(C)C)O 1P00A6GF [0,1,0,0,0,0|2,0,1]=4 907 B6R0.7 CC(C(N)(C)C)O 1P028MA2 [0,1,0,0,0,0|2,0,1]=4 908 B6R0.7 CC(C(O)(C)C)C 1P003G0K [0,1,0,0,0,0|2,0,1]=4 909 B6R0.7 CC(C(O)(C)C)N 1P00EES1 [0,1,0,0,0,0|2,0,1]=4 910 B6R0.7 CC(C(O)(C)C)O 1P00E19W [0,1,0,0,0,0|1,0,1]=3 911 B6R0.7 CC(P(=O)(O)O)O 1P007REW [0,1,0,0,0,0|1,0,0]=2 912 B6R0.7 CC(S(=O)(=N)C)C 1P01BS81 [0,1,0,0,0,0|3,0,0]=4 913 B6R0.7 CC(S(=O)(=O)Br)C 1P02869Z [0,1,0,0,0,0|2,0,1]=4 914 B6R0.7 CC(S(=O)(=O)C)C 1P003RLR [0,1,0,0,0,0|2,0,1]=4 915 B6R0.7 CC(S(=O)(=O)Cl)C 1P000513 [0,1,0,0,0,0|2,0,1]=4 916 B6R0.7 CC(S(=O)(=O)Cl)Cl 1P01ACAC [0,1,0,0,0,0|2,0,1]=4 917 B6R0.7 CC(S(=O)(=O)Cl)F 1P028TXG [0,1,0,0,0,0|2,0,1]=4 918 B6R0.7 CC(S(=O)(=O)F)C 1P019XAL [0,1,0,0,0,0|2,0,1]=4 919 B6R0.7 CC(S(=O)(=O)N)C 1P0035IV [0,1,0,0,0,0|2,0,1]=4 920 B6R0.7 CC(S(=O)(=O)N)F 1P027YBF [0,1,0,0,0,0|2,0,1]=4 921 B6R0.7 CC(S(=O)(=O)[O-])Cl 1P01BCQW [0,1,0,0,0,0|2,0,1]=4 922 B6R0.7 CC(S(=O)Cl)(C)C 1P003V2P [0,1,0,0,0,0|3,0,0]=4 923 B6R0.7 CC(S(=O)N)(C)C 1P00HXYB [0,1,0,0,0,0|3,0,0]=4 924 B6R0.7 CC(S(=O)[O-])(C)C 1P01BCHQ [0,1,0,0,0,0|2,0,1]=4 925 B6R0.7 CC(S(=O)[O-])(F)F 1P00A0EE [0,1,0,0,0,0|2,0,1]=4 926 B6R0.7 CC([N+](=O)[O-])(C)C 1P003I2M [0,1,0,0,0,0|2,0,1]=4 927 B6R0.7 CC([S@@](=O)N)(C)C 1P0032UP [0,1,0,0,0,0|3,0,0]=4 928 B6R0.7 CC([S@](=O)N)(C)C 1P0032WC [0,1,0,0,0,0|3,0,0]=4 929 B6R0.7 CS(=O)C(C)(C)C 1P001G4M [0,1,0,0,0,0|3,0,0]=4 930 B6R0.7 C[C@@H](C(C)(C)C)O 1P007EHC [0,1,0,0,0,0|2,0,1]=4 931 B6R0.7 C[C@@H](C(F)(F)F)O 1P00CBFK [0,1,0,0,0,0|2,0,1]=4 932 B6R0.7 C[C@@H](C(O)(C)C)N 1P00HZOX [0,1,0,0,0,0|2,0,1]=4 933 B6R0.7 C[C@@H](C(O)(C)C)O 1P01HMJM [0,1,0,0,0,0|1,0,1]=3 934 B6R0.7 C[C@@H](P(=O)(C)C)N 1P028FGT [0,1,0,0,0,0|3,0,0]=4 935 B6R0.7 C[C@H](C(C)(C)C)O 1P001PQP [0,1,0,0,0,0|2,0,1]=4 936 B6R0.7 C[C@H](C(F)(F)F)O 1P002506 [0,1,0,0,0,0|2,0,1]=4 937 B6R0.7 C[C@H](C(O)(C)C)O 1P01EAR8 [0,1,0,0,0,0|1,0,1]=3 938 B6R0.7 C[C@H](P(=O)(C)C)N 1P0289TS [0,1,0,0,0,0|3,0,0]=4 939 B6R0.7 ClC(=C)C(C)(C)C 1P024KXH [0,1,0,0,0,0|3,0,0]=4 940 B6R0.7 ClC(=O)C(Br)(C)C 1P002A40 [0,1,0,0,0,0|2,0,0]=3 941 B6R0.7 ClC(=O)C(Br)(F)F 1P00C0ZW [0,1,0,0,0,0|3,0,0]=4 942 B6R0.7 ClC(=O)C(Cl)(C)C 1P0010VD [0,1,0,0,0,0|2,0,0]=3 943 B6R0.7 ClC(=O)C(F)(C)C 1P01UOTK [0,1,0,0,0,0|2,0,0]=3 944 B6R0.7 ClC(=O)C(F)(F)C 1P027J0I [0,1,0,0,0,0|2,0,0]=3 945 B6R0.7 FC(C(O)(C)C)F 1P01B79G [0,1,0,0,0,0|2,0,1]=4 946 B6R0.7 NC(=N)C(C)(C)C 1P0023R9 [0,1,0,0,0,0|3,0,0]=4 947 B6R0.7 NC(=N)C(F)(C)C 1P028Y78 [0,1,0,0,0,0|3,0,0]=4 948 B6R0.7 NC(=N)C(N)(C)C 1P01AD9F [0,1,0,0,0,0|3,0,0]=4 949 B6R0.7 NC(=N)C(O)(C)C 1P00CZ51 [0,1,0,0,0,0|2,0,0]=3 950 B6R0.7 NC(=O)C(Br)(C)C 1P005B2L [0,1,0,0,0,0|2,0,0]=3 951 B6R0.7 NC(=O)C(Br)(F)F 1P0070G6 [0,1,0,0,0,0|3,0,0]=4 952 B6R0.7 NC(=O)C(C)(C)C 1P0035YI [0,1,0,0,0,0|2,0,0]=3 953 B6R0.7 NC(=O)C(Cl)(C)C 1P01A2I6 [0,1,0,0,0,0|2,0,0]=3 954 B6R0.7 NC(=O)C(Cl)(Cl)Cl 1P0033CS [0,1,0,0,0,0|3,0,0]=4 955 B6R0.7 NC(=O)C(Cl)(F)F 1P003PA5 [0,1,0,0,0,0|3,0,0]=4 956 B6R0.7 NC(=O)C(F)(F)C 1P00DBUC [0,1,0,0,0,0|2,0,0]=3 957 B6R0.7 NC(=O)C(F)(F)F 1P003FNQ [0,1,0,0,0,0|3,0,0]=4 958 B6R0.7 NC(=O)C(N)(C)C 1P001TOY [0,1,0,0,0,0|2,0,0]=3 959 B6R0.7 NC(=O)C(N)(C)C 1P00AUNH [0,1,0,0,0,0|2,0,0]=3 960 B6R0.7 NC(=O)C(O)(C)C 1P000UO8 [0,1,0,0,0,0|1,0,0]=2 961 B6R0.7 NC(=S)C(C)(C)C 1P0037DV [0,1,0,0,0,0|2,1,0]=4 962 B6R0.7 NC(=S)C(F)(F)C 1P01HJRO [0,1,0,0,0,0|2,1,0]=4 963 B6R0.7 NC(=S)C(N)(C)C 1P027W11 [0,1,0,0,0,0|2,1,0]=4 964 B6R0.7 OB(C(C)(C)C)O 1P00IEFV [0,1,0,0,0,0|2,0,1]=4 965 B6R0.7 OC(=O)C(Br)(Br)Br 1P003VGK [0,1,0,0,0,0|2,0,0]=3 966 B6R0.7 OC(=O)C(Br)(Br)Cl 1P00DF9D [0,1,0,0,0,0|2,0,0]=3 967 B6R0.7 OC(=O)C(Br)(C)C 1P002AEN [0,1,0,0,0,0|1,0,0]=2 968 B6R0.7 OC(=O)C(Br)(F)F 1P007CU0 [0,1,0,0,0,0|2,0,0]=3 969 B6R0.7 OC(=O)C(C)(C)C 1P0035YJ [0,1,0,0,0,0|1,0,0]=2 970 B6R0.7 OC(=O)C(Cl)(C)C 1P00EI2W [0,1,0,0,0,0|1,0,0]=2 971 B6R0.7 OC(=O)C(Cl)(Cl)C 1P003FRB [0,1,0,0,0,0|1,0,0]=2 972 B6R0.7 OC(=O)C(Cl)(Cl)Cl 1P003A67 [0,1,0,0,0,0|2,0,0]=3 973 B6R0.7 OC(=O)C(Cl)(Cl)F 1P00CTU1 [0,1,0,0,0,0|2,0,0]=3 974 B6R0.7 OC(=O)C(Cl)(F)F 1P003PA6 [0,1,0,0,0,0|2,0,0]=3 975 B6R0.7 OC(=O)C(F)(C)C 1P00EBJZ [0,1,0,0,0,0|1,0,0]=2 976 B6R0.7 OC(=O)C(F)(F)C 1P0033DM [0,1,0,0,0,0|1,0,0]=2 977 B6R0.7 OC(=O)C(F)(F)F 1P000K0R [0,1,0,0,0,0|2,0,0]=3 978 B6R0.7 OC(=O)C(F)(F)F 1P001DB6 [0,1,0,0,0,0|2,0,0]=3 979 B6R0.7 OC(=O)C(F)(F)F 1P001U7A [0,1,0,0,0,0|2,0,0]=3 980 B6R0.7 OC(=O)C(F)(F)F 1P001U7P [0,1,0,0,0,0|2,0,0]=3 981 B6R0.7 OC(=O)C(F)(F)F 1P003OCG [0,1,0,0,0,0|2,0,0]=3 982 B6R0.7 OC(=O)C(F)(F)F 1P0072W3 [0,1,0,0,0,0|2,0,0]=3 983 B6R0.7 OC(=O)C(F)(F)F 1P00DZTR [0,1,0,0,0,0|2,0,0]=3 984 B6R0.7 OC(=O)C(F)(F)F 1P00HYFD [0,1,0,0,0,0|2,0,0]=3 985 B6R0.7 OC(=O)C(F)(F)F 1P00HYH8 [0,1,0,0,0,0|2,0,0]=3 986 B6R0.7 OC(=O)C(F)(F)F 1P00I93N [0,1,0,0,0,0|2,0,0]=3 987 B6R0.7 OC(=O)C(F)(F)F 1P00ILTB [0,1,0,0,0,0|2,0,0]=3 988 B6R0.7 OC(=O)C(F)(F)F 1P00VVTW [0,1,0,0,0,0|2,0,0]=3 989 B6R0.7 OC(=O)C(F)(F)F 1P01ACTM [0,1,0,0,0,0|2,0,0]=3 990 B6R0.7 OC(=O)C(F)(F)F 1P01AGC2 [0,1,0,0,0,0|2,0,0]=3 991 B6R0.7 OC(=O)C(F)(F)F 1P01AMJE [0,1,0,0,0,0|2,0,0]=3 992 B6R0.7 OC(=O)C(F)(F)F 1P01ANM0 [0,1,0,0,0,0|2,0,0]=3 993 B6R0.7 OC(=O)C(F)(F)F 1P01ANON [0,1,0,0,0,0|2,0,0]=3 994 B6R0.7 OC(=O)C(F)(F)F 1P01AUYG [0,1,0,0,0,0|2,0,0]=3 995 B6R0.7 OC(=O)C(F)(F)F 1P01B65F [0,1,0,0,0,0|2,0,0]=3 996 B6R0.7 OC(=O)C(F)(F)F 1P01BBQR [0,1,0,0,0,0|2,0,0]=3 997 B6R0.7 OC(=O)C(F)(F)F 1P01BI36 [0,1,0,0,0,0|2,0,0]=3 998 B6R0.7 OC(=O)C(F)(F)F 1P01BUQF [0,1,0,0,0,0|2,0,0]=3 999 B6R0.7 OC(=O)C(F)(F)F 1P01C2UC [0,1,0,0,0,0|2,0,0]=3 1000 B6R0.7 OC(=O)C(F)(F)F 1P01C39J [0,1,0,0,0,0|2,0,0]=3 1001 B6R0.7 OC(=O)C(F)(F)F 1P01C48H [0,1,0,0,0,0|2,0,0]=3 1002 B6R0.7 OC(=O)C(F)(F)F 1P01JL4V [0,1,0,0,0,0|2,0,0]=3 1003 B6R0.7 OC(=O)C(F)(F)F 1P01JL57 [0,1,0,0,0,0|2,0,0]=3 1004 B6R0.7 OC(=O)C(F)(F)F 1P01JURA [0,1,0,0,0,0|2,0,0]=3 1005 B6R0.7 OC(=O)C(F)(F)F 1P0208LE [0,1,0,0,0,0|2,0,0]=3 1006 B6R0.7 OC(=O)C(F)(F)F 1P027ULJ [0,1,0,0,0,0|2,0,0]=3 1007 B6R0.7 OC(=O)C(F)(F)F 1P0280RQ [0,1,0,0,0,0|2,0,0]=3 1008 B6R0.7 OC(=O)C(F)(F)F 1P0280SQ [0,1,0,0,0,0|2,0,0]=3 1009 B6R0.7 OC(=O)C(F)(F)F 1P0282DW [0,1,0,0,0,0|2,0,0]=3 1010 B6R0.7 OC(=O)C(F)(F)F 1P0282G1 [0,1,0,0,0,0|2,0,0]=3 1011 B6R0.7 OC(=O)C(F)(F)F 1P02846K [0,1,0,0,0,0|2,0,0]=3 1012 B6R0.7 OC(=O)C(F)(F)F 1P0284C4 [0,1,0,0,0,0|2,0,0]=3 1013 B6R0.7 OC(=O)C(F)(F)F 1P0284JG [0,1,0,0,0,0|2,0,0]=3 1014 B6R0.7 OC(=O)C(F)(F)F 1P0284L8 [0,1,0,0,0,0|2,0,0]=3 1015 B6R0.7 OC(=O)C(F)(F)F 1P0285CM [0,1,0,0,0,0|2,0,0]=3 1016 B6R0.7 OC(=O)C(F)(F)F 1P028BRY [0,1,0,0,0,0|2,0,0]=3 1017 B6R0.7 OC(=O)C(F)(F)F 1P028EAS [0,1,0,0,0,0|2,0,0]=3 1018 B6R0.7 OC(=O)C(F)(F)F 1P028ITN [0,1,0,0,0,0|2,0,0]=3 1019 B6R0.7 OC(=O)C(F)(F)F 1P028KBM [0,1,0,0,0,0|2,0,0]=3 1020 B6R0.7 OC(=O)C(F)(F)F 1P028KZ5 [0,1,0,0,0,0|2,0,0]=3 1021 B6R0.7 OC(=O)C(F)(F)F 1P028MET [0,1,0,0,0,0|2,0,0]=3 1022 B6R0.7 OC(=O)C(F)(F)F 1P028NK6 [0,1,0,0,0,0|2,0,0]=3 1023 B6R0.7 OC(=O)C(F)(F)F 1P028UPW [0,1,0,0,0,0|2,0,0]=3 1024 B6R0.7 OC(=O)C(F)(F)F 1P028VBP [0,1,0,0,0,0|2,0,0]=3 1025 B6R0.7 OC(=O)C(F)(F)F 1P028XLH [0,1,0,0,0,0|2,0,0]=3 1026 B6R0.7 OC(=O)C(F)(F)F 1P028YI3 [0,1,0,0,0,0|2,0,0]=3 1027 B6R0.7 OC(=O)C(N)(C)C 1P003GTA [0,1,0,0,0,0|1,0,0]=2 1028 B6R0.7 OC(=O)C(O)(C)C 1P00369V [0,1,0,0,0,0|0,0,0]=1 1029 B6R0.7 OC(=O)C(S)(C)C 1P00DE8V [0,1,0,0,0,0|0,1,0]=2 1030 B6R0.7 [O-]C(=O)C(Br)(F)F 1P0036WB [0,1,0,0,0,0|2,0,1]=4 1031 B6R0.7 [O-]C(=O)C(Br)(F)F 1P008FN9 [0,1,0,0,0,0|2,0,1]=4 1032 B6R0.7 [O-]C(=O)C(C)(C)C 1P001QJO [0,1,0,0,0,0|1,0,1]=3 1033 B6R0.7 [O-]C(=O)C(C)(C)C 1P00362K [0,1,0,0,0,0|1,0,1]=3 1034 B6R0.7 [O-]C(=O)C(C)(C)C 1P003P88 [0,1,0,0,0,0|1,0,1]=3 1035 B6R0.7 [O-]C(=O)C(C)(C)C 1P003TZZ [0,1,0,0,0,0|1,0,1]=3 1036 B6R0.7 [O-]C(=O)C(C)(C)C 1P003UV1 [0,1,0,0,0,0|1,0,1]=3 1037 B6R0.7 [O-]C(=O)C(C)(C)C 1P00AN4U [0,1,0,0,0,0|1,0,1]=3 1038 B6R0.7 [O-]C(=O)C(C)(C)C 1P01XD1A [0,1,0,0,0,0|1,0,1]=3 1039 B6R0.7 [O-]C(=O)C(Cl)(Cl)Cl 1P003UV0 [0,1,0,0,0,0|2,0,1]=4 1040 B6R0.7 [O-]C(=O)C(Cl)(Cl)F 1P00I5SC [0,1,0,0,0,0|2,0,1]=4 1041 B6R0.7 [O-]C(=O)C(Cl)(F)F 1P002E6G [0,1,0,0,0,0|2,0,1]=4 1042 B6R0.7 [O-]C(=O)C(F)(F)C 1P00HS8I [0,1,0,0,0,0|1,0,1]=3 1043 B6R0.7 [O-]C(=O)C(F)(F)F 1P000KUA [0,1,0,0,0,0|2,0,1]=4 1044 B6R0.7 [O-]C(=O)C(F)(F)F 1P001VV1 [0,1,0,0,0,0|2,0,1]=4 1045 B6R0.7 [O-]C(=O)C(F)(F)F 1P002JR6 [0,1,0,0,0,0|2,0,1]=4 1046 B6R0.7 [O-]C(=O)C(F)(F)F 1P002O84 [0,1,0,0,0,0|2,0,1]=4 1047 B6R0.7 [O-]C(=O)C(F)(F)F 1P002Y93 [0,1,0,0,0,0|2,0,1]=4 1048 B6R0.7 [O-]C(=O)C(F)(F)F 1P002Y94 [0,1,0,0,0,0|2,0,1]=4 1049 B6R0.7 [O-]C(=O)C(F)(F)F 1P002Y95 [0,1,0,0,0,0|2,0,1]=4 1050 B6R0.7 [O-]C(=O)C(F)(F)F 1P002ZHM [0,1,0,0,0,0|2,0,1]=4 1051 B6R0.7 [O-]C(=O)C(F)(F)F 1P003RPW [0,1,0,0,0,0|2,0,1]=4 1052 B6R0.7 [O-]C(=O)C(F)(F)F 1P003U04 [0,1,0,0,0,0|2,0,1]=4 1053 B6R0.7 [O-]C(=O)C(F)(F)F 1P00BCW7 [0,1,0,0,0,0|2,0,1]=4 1054 B6R0.7 [O-]C(=O)C(F)(F)F 1P00BI0R [0,1,0,0,0,0|2,0,1]=4 1055 B6R0.7 [O-]C(=O)C(F)(F)F 1P01XD1S [0,1,0,0,0,0|2,0,1]=4 1056 B6R1.4 Br[C@H]1CC[C@H]1O 1P0284RU [0,0,0,1,0,0|2,0,1]=4 1057 B6R1.4 CC1CNC1=O 1P01DXX0 [0,0,0,1,0,0|2,0,0]=3 1058 B6R1.4 CC1OCC1=O 1P00IL5Y [0,0,0,1,0,0|1,0,0]=2 1059 B6R1.4 NC1CNC1=O 1P01BSOU [0,0,0,1,0,0|2,0,0]=3 1060 B6R1.4 N[C@@H]1CNC1=O 1P01KAB4 [0,0,0,1,0,0|2,0,0]=3 1061 B6R1.4 N[C@@H]1CNC1=O 1P027UE8 [0,0,0,1,0,0|2,0,0]=3 1062 B6R1.4 N[C@H]1CNC1=O 1P000A5J [0,0,0,1,0,0|2,0,0]=3 1063 B6R1.4 N[C@H]1CNC1=O 1P0029Z1 [0,0,0,1,0,0|2,0,0]=3 1064 B6R1.4 O=C1CCC1Br 1P000ISS [0,0,0,1,0,0|2,0,0]=3 1065 B6R1.4 O=C1CCC1C 1P00B4N2 [0,0,0,1,0,0|2,0,0]=3 1066 B6R1.4 O=C1CCC1N 1P01EIQW [0,0,0,1,0,0|2,0,0]=3 1067 B6R1.4 O=C1CCN1N 1P01A4RJ [0,0,0,1,0,0|3,0,0]=4 1068 B6R1.4 OC1CCC1C 1P001R53 [0,0,0,1,0,0|2,0,1]=4 1069 B6R1.4 OC1CCC1N 1P01A63L [0,0,0,1,0,0|2,0,1]=4 1070 B6R1.4 OC1CCC1O 1P01JV1P [0,0,0,1,0,0|1,0,1]=3 1071 B6R1.4 OC1CNC1=O 1P01A6LV [0,0,0,1,0,0|1,0,0]=2 1072 B6R1.4 OC1CNC1C 1P00IHGO [0,0,0,1,0,0|2,0,1]=4 1073 B6R1.4 OC1COC1C 1P00A0PR [0,0,0,1,0,0|1,0,1]=3 1074 B6R1.4 O[C@@H]1CC[C@@H]1N 1P002JA3 [0,0,0,1,0,0|2,0,1]=4 1075 B6R1.4 O[C@@H]1CC[C@@H]1O 1P00MDX3 [0,0,0,1,0,0|1,0,1]=3 1076 B6R1.4 O[C@@H]1CC[C@H]1N 1P00I3AC [0,0,0,1,0,0|2,0,1]=4 1077 B6R1.4 O[C@@H]1CC[C@H]1O 1P01JUJU [0,0,0,1,0,0|1,0,1]=3 1078 B6R1.4 O[C@@H]1CN[C@@H]1C 1P01JVJG [0,0,0,1,0,0|2,0,1]=4 1079 B6R1.4 O[C@@H]1CN[C@H]1C 1P01DXVT [0,0,0,1,0,0|2,0,1]=4 1080 B6R1.4 O[C@H]1CC[C@@H]1N 1P00J3BR [0,0,0,1,0,0|2,0,1]=4 1081 B6R1.4 O[C@H]1CC[C@H]1N 1P01E45Q [0,0,0,1,0,0|2,0,1]=4 1082 B6R1.4 O[C@H]1CN[C@@H]1C 1P01X8JQ [0,0,0,1,0,0|2,0,1]=4 1083 B6R1.4 O[C@H]1CN[C@H]1C 1P01JUT3 [0,0,0,1,0,0|2,0,1]=4 1084 B6R1.4 SC1CCC1O 1P028C1D [0,0,0,1,0,0|1,1,1]=4 1085 B6R1.4 S[C@@H]1CC[C@H]1O 1P02847Y [0,0,0,1,0,0|1,1,1]=4 1086 B6R1.4 S[C@H]1CC[C@H]1O 1P028AGK [0,0,0,1,0,0|1,1,1]=4 1087 B6R1.9 CC1CC1(C)O 1P01A4J7 [0,0,0,1,0,0|2,0,1]=4 1088 B6R1.9 OC1CC1(C)C 1P01JJII [0,0,0,1,0,0|2,0,1]=4 1089 B6R1.9 OC1CC1(Cl)Cl 1P028YJU [0,0,0,1,0,0|2,0,1]=4 1090 B6R1.11 BrC(=C)C1CC1 1P0279S7 [0,0,0,1,0,0|3,0,0]=4 1091 B6R1.11 CC(=C)C1CC1 1P00DBGP [0,0,0,1,0,0|3,0,0]=4 1092 B6R1.11 CC(=O)C1CC1 1P00337Q [0,0,0,1,0,0|2,0,0]=3 1093 B6R1.11 CC(=O)C1CO1 1P00DG4I [0,0,0,1,0,0|1,0,0]=2 1094 B6R1.11 CC(C1CC1)O 1P003EQ7 [0,0,0,1,0,0|2,0,1]=4 1095 B6R1.11 CC(C1CO1)Br 1P00K7EQ [0,0,0,1,0,0|2,0,1]=4 1096 B6R1.11 CC(C1CO1)O 1P01ACSU [0,0,0,1,0,0|1,0,1]=3 1097 B6R1.11 CC(C1OC1)C 1P00331K [0,0,0,1,0,0|2,0,1]=4 1098 B6R1.11 C[C@@H](C1CC1)O 1P00DG11 [0,0,0,1,0,0|2,0,1]=4 1099 B6R1.11 C[C@H](C1CC1)O 1P00EFW5 [0,0,0,1,0,0|2,0,1]=4 1100 B6R1.11 ClC(=C)C1CO1 1P007I10 [0,0,0,1,0,0|2,0,0]=3 1101 B6R1.11 ClC(=O)C1CC1 1P003PNF [0,0,0,1,0,0|2,0,0]=3 1102 B6R1.11 ClS(=O)C1CC1 1P01C7TR [0,0,0,1,0,0|3,0,0]=4 1103 B6R1.11 NC(=N)C1CC1 1P00393B [0,0,0,1,0,0|3,0,0]=4 1104 B6R1.11 NC(=O)C1CC1 1P003PNG [0,0,0,1,0,0|2,0,0]=3 1105 B6R1.11 NC(=S)C1CC1 1P00291O [0,0,0,1,0,0|2,1,0]=4 1106 B6R1.11 NS(=O)C1CC1 1P0221LR [0,0,0,1,0,0|3,0,0]=4 1107 B6R1.11 OB(C1CC1)O 1P00354W [0,0,0,1,0,0|2,0,1]=4 1108 B6R1.11 OC(=O)C1CC1 1P0021R4 [0,0,0,1,0,0|1,0,0]=2 1109 B6R1.11 OC(=O)C1CO1 1P003TZG [0,0,0,1,0,0|0,0,0]=1 1110 B6R1.11 [O-]C(=O)C1CO1 1P0035ZB [0,0,0,1,0,0|0,0,1]=2 1111 B6R1.11 [O-]C(=O)[C@@H]1CO1 1P0038VO [0,0,0,1,0,0|0,0,1]=2 1112 B6R1.11 [O-]C(=O)[C@H]1CO1 1P004XZC [0,0,0,1,0,0|0,0,1]=2 1113 B6R1.11 [O-]S(=O)C1CC1 1P003USU [0,0,0,1,0,0|2,0,1]=4 1114 B6R1.11 [O-][N+](=O)C1CC1 1P000UMD [0,0,0,1,0,0|2,0,1]=4 1115 B6R0.2 BrC(=C)CC(=O)O 1P028J9X [0,0,0,0,0,1|1,0,2]=4 1116 B6R0.2 BrC(=CC(=O)O)Br 1P00AZTD [0,0,0,0,0,1|2,0,1]=4 1117 B6R0.2 CC(=C)CC(=O)C 1P00CLKE [0,0,0,0,0,1|2,0,1]=4 1118 B6R0.2 CC(=C)CC(=O)O 1P001WA5 [0,0,0,0,0,1|1,0,1]=3 1119 B6R0.2 CC(=C)OC(=O)C 1P0035IQ [0,0,0,0,0,1|2,0,1]=4 1120 B6R0.2 CC(=CC(=O)C)C 1P001G6Y [0,0,0,0,0,1|2,0,1]=4 1121 B6R0.2 CC(=CC(=O)C)O 1P001CNO [0,0,0,0,0,1|1,0,1]=3 1122 B6R0.2 CC(=CC(=O)Cl)C 1P003K7P [0,0,0,0,0,1|2,0,1]=4 1123 B6R0.2 CC(=CC(=O)N)C 1P01BER2 [0,0,0,0,0,1|2,0,1]=4 1124 B6R0.2 CC(=CC(=O)O)C 1P0033YA [0,0,0,0,0,1|1,0,1]=3 1125 B6R0.2 CC(=CC(=O)O)Cl 1P00DGVA [0,0,0,0,0,1|1,0,1]=3 1126 B6R0.2 CC(=CC(=O)O)I 1P01JX6Y [0,0,0,0,0,1|1,0,1]=3 1127 B6R0.2 CC(=CC(O)C)C 1P0074MI [0,0,0,0,0,1|2,0,0]=3 1128 B6R0.2 CC(=O)CC(=O)C 1P000KDQ [0,0,0,0,0,1|1,0,2]=4 1129 B6R0.2 CC(=O)CC(=O)C 1P003VUE [0,0,0,0,0,1|1,0,2]=4 1130 B6R0.2 CC(=O)CC(=O)N 1P0034W3 [0,0,0,0,0,1|1,0,2]=4 1131 B6R0.2 CC(=O)NC(=O)C 1P00355U [0,0,0,0,0,1|1,0,2]=4 1132 B6R0.2 CC(=O)NC(=O)N 1P003O4P [0,0,0,0,0,1|1,0,2]=4 1133 B6R0.2 CC(=O)SC(=O)C 1P003O4E [0,0,0,0,0,1|1,0,2]=4 1134 B6R0.2 CC(=O)[C-]C(=O)C 1P00236S [0,0,0,0,0,1|1,0,2]=4 1135 B6R0.2 CC(=O)[CH-]C(=O)C 1P0016VZ [0,0,0,0,0,1|1,0,2]=4 1136 B6R0.2 CC(=O)[CH-]C(=O)C 1P003OFD [0,0,0,0,0,1|1,0,2]=4 1137 B6R0.2 CC(=O)[CH-]C(=O)C 1P003OGH [0,0,0,0,0,1|1,0,2]=4 1138 B6R0.2 CC(=O)[CH-]C(=O)C 1P003UNO [0,0,0,0,0,1|1,0,2]=4 1139 B6R0.2 CC(=O)[CH-]C(=O)C 1P00AQOO [0,0,0,0,0,1|1,0,2]=4 1140 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HU8W [0,0,0,0,0,1|1,0,2]=4 1141 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HW92 [0,0,0,0,0,1|1,0,2]=4 1142 B6R0.2 CC(=O)[CH-]C(=O)C 1P00HYD8 [0,0,0,0,0,1|1,0,2]=4 1143 B6R0.2 CC(=O)[CH-]C(=O)C 1P00IKXP [0,0,0,0,0,1|1,0,2]=4 1144 B6R0.2 CC(C=C(C)C)C 1P003GAP [0,0,0,0,0,1|3,0,0]=4 1145 B6R0.2 CC(CC(=C)Br)C 1P0279S8 [0,0,0,0,0,1|3,0,0]=4 1146 B6R0.2 CC(CC(=C)C)C 1P003GAN [0,0,0,0,0,1|3,0,0]=4 1147 B6R0.2 CC(CC(=N)N)C 1P00EK2S [0,0,0,0,0,1|3,0,0]=4 1148 B6R0.2 CC(CC(=O)C)N 1P00J23J [0,0,0,0,0,1|2,0,0]=3 1149 B6R0.2 CC(CC(=O)C)O 1P00723Y [0,0,0,0,0,1|1,0,0]=2 1150 B6R0.2 CC(CC(=O)Cl)C 1P0035J3 [0,0,0,0,0,1|2,0,0]=3 1151 B6R0.2 CC(CC(=O)Cl)Cl 1P01BTXW [0,0,0,0,0,1|2,0,0]=3 1152 B6R0.2 CC(CC(=O)F)C 1P01B7CV [0,0,0,0,0,1|2,0,0]=3 1153 B6R0.2 CC(CC(=O)N)C 1P003RMF [0,0,0,0,0,1|2,0,0]=3 1154 B6R0.2 CC(CC(=O)N)Cl 1P028G15 [0,0,0,0,0,1|2,0,0]=3 1155 B6R0.2 CC(CC(=O)N)N 1P01C1RK [0,0,0,0,0,1|2,0,0]=3 1156 B6R0.2 CC(CC(=O)N)O 1P007O9T [0,0,0,0,0,1|1,0,0]=2 1157 B6R0.2 CC(CC(=O)O)Br 1P002SV2 [0,0,0,0,0,1|1,0,0]=2 1158 B6R0.2 CC(CC(=O)O)C 1P003RMG [0,0,0,0,0,1|1,0,0]=2 1159 B6R0.2 CC(CC(=O)O)Cl 1P003JRA [0,0,0,0,0,1|1,0,0]=2 1160 B6R0.2 CC(CC(=O)O)F 1P028OF4 [0,0,0,0,0,1|1,0,0]=2 1161 B6R0.2 CC(CC(=O)O)N 1P003JE2 [0,0,0,0,0,1|1,0,0]=2 1162 B6R0.2 CC(CC(=O)O)O 1P003K12 [0,0,0,0,0,1|0,0,0]=1 1163 B6R0.2 CC(CC(=O)O)S 1P002TTH [0,0,0,0,0,1|0,1,0]=2 1164 B6R0.2 CC(CC(=S)N)C 1P00AR7D [0,0,0,0,0,1|2,1,0]=4 1165 B6R0.2 CC(CC(O)C)C 1P0038GQ [0,0,0,0,0,1|2,0,1]=4 1166 B6R0.2 CC(CC(O)C)N 1P0014XP [0,0,0,0,0,1|2,0,1]=4 1167 B6R0.2 CC(CC(O)C)O 1P003GCB [0,0,0,0,0,1|1,0,1]=3 1168 B6R0.2 CC(CS(=O)C)N 1P01A734 [0,0,0,0,0,1|3,0,0]=4 1169 B6R0.2 CC(CS(=O)C)O 1P02879G [0,0,0,0,0,1|2,0,0]=3 1170 B6R0.2 CC(CS(=O)Cl)C 1P01C9KJ [0,0,0,0,0,1|3,0,0]=4 1171 B6R0.2 CC(CS(=O)[O-])C 1P01BCHN [0,0,0,0,0,1|2,0,1]=4 1172 B6R0.2 CC(C[C@@H](O)C)C 1P001LS9 [0,0,0,0,0,1|2,0,1]=4 1173 B6R0.2 CC(C[C@H](O)C)C 1P001V2I [0,0,0,0,0,1|2,0,1]=4 1174 B6R0.2 CC(C[N+](=O)[O-])C 1P00F3HC [0,0,0,0,0,1|2,0,1]=4 1175 B6R0.2 CC(N=C(C)C)C 1P00CKF9 [0,0,0,0,0,1|3,0,0]=4 1176 B6R0.2 CC(NC(=N)N)C 1P0055O6 [0,0,0,0,0,1|3,0,0]=4 1177 B6R0.2 CC(NC(=O)C)C 1P0084JZ [0,0,0,0,0,1|2,0,0]=3 1178 B6R0.2 CC(NC(=O)Cl)C 1P01B38E [0,0,0,0,0,1|2,0,0]=3 1179 B6R0.2 CC(NC(=O)N)C 1P005LHL [0,0,0,0,0,1|2,0,0]=3 1180 B6R0.2 CC(NC(=S)C)C 1P01A5JR [0,0,0,0,0,1|2,1,0]=4 1181 B6R0.2 CC(NC(=S)N)C 1P00APGI [0,0,0,0,0,1|2,1,0]=4 1182 B6R0.2 CC(OC(=O)C)Br 1P00336T [0,0,0,0,0,1|2,0,0]=3 1183 B6R0.2 CC(OC(=O)C)C 1P0036E9 [0,0,0,0,0,1|2,0,0]=3 1184 B6R0.2 CC(OC(=O)C)Cl 1P00EN9H [0,0,0,0,0,1|2,0,0]=3 1185 B6R0.2 CC(OC(=O)Cl)Cl 1P003528 [0,0,0,0,0,1|2,0,0]=3 1186 B6R0.2 CC(OC(=O)N)C 1P00209N [0,0,0,0,0,1|2,0,0]=3 1187 B6R0.2 CC(OC(=S)[S-])C 1P001CEW [0,0,0,0,0,1|1,2,0]=4 1188 B6R0.2 CC(OC(=S)[S-])C 1P001CEX [0,0,0,0,0,1|1,2,0]=4 1189 B6R0.2 CC(O[N+](=O)[O-])C 1P0039DL [0,0,0,0,0,1|2,0,1]=4 1190 B6R0.2 CC(SC(=N)N)C 1P00BYWC [0,0,0,0,0,1|3,0,0]=4 1191 B6R0.2 CC(SC(=O)Cl)C 1P001A85 [0,0,0,0,0,1|2,0,0]=3 1192 B6R0.2 CN(CC(=O)C)C 1P003DJS [0,0,0,0,0,1|3,0,0]=4 1193 B6R0.2 CN(CC(=O)Cl)C 1P003Q3N [0,0,0,0,0,1|3,0,0]=4 1194 B6R0.2 CN(CC(=O)N)C 1P01BFB9 [0,0,0,0,0,1|3,0,0]=4 1195 B6R0.2 CN(CC(=O)O)C 1P002QBC [0,0,0,0,0,1|2,0,0]=3 1196 B6R0.2 CN(CC(=O)O)C 1P003T1T [0,0,0,0,0,1|2,0,0]=3 1197 B6R0.2 CN(CC(O)C)C 1P0037R9 [0,0,0,0,0,1|3,0,0]=4 1198 B6R0.2 CN(CC(O)C)C 1P003BI9 [0,0,0,0,0,1|3,0,0]=4 1199 B6R0.2 CN(C[C@@H](O)C)C 1P0036OS [0,0,0,0,0,1|3,0,0]=4 1200 B6R0.2 CN(C[C@H](O)C)C 1P00DLJ4 [0,0,0,0,0,1|3,0,0]=4 1201 B6R0.2 CS(=O)CC(=O)N 1P028O27 [0,0,0,0,0,1|2,0,1]=4 1202 B6R0.2 C[C@@H](CC(=O)N)O 1P028625 [0,0,0,0,0,1|1,0,0]=2 1203 B6R0.2 C[C@@H](CC(=O)O)F 1P028OKF [0,0,0,0,0,1|1,0,0]=2 1204 B6R0.2 C[C@@H](CC(=O)O)N 1P0036AK [0,0,0,0,0,1|1,0,0]=2 1205 B6R0.2 C[C@@H](CC(=O)O)N 1P00IAVS [0,0,0,0,0,1|1,0,0]=2 1206 B6R0.2 C[C@@H](CC(=O)O)O 1P003ANQ [0,0,0,0,0,1|0,0,0]=1 1207 B6R0.2 C[C@@H](C[C@@H](O)C)O 1P003C68 [0,0,0,0,0,1|1,0,1]=3 1208 B6R0.2 C[C@H](CC(=O)N)O 1P027UQQ [0,0,0,0,0,1|1,0,0]=2 1209 B6R0.2 C[C@H](CC(=O)O)N 1P003CQA [0,0,0,0,0,1|1,0,0]=2 1210 B6R0.2 C[C@H](CC(=O)O)N 1P00EB6J [0,0,0,0,0,1|1,0,0]=2 1211 B6R0.2 C[C@H](C[C@@H](O)C)N 1P0283G5 [0,0,0,0,0,1|2,0,1]=4 1212 B6R0.2 C[C@H](C[C@H](O)C)O 1P003C54 [0,0,0,0,0,1|1,0,1]=3 1213 B6R0.2 C\C(=C/C(=O)C)\N 1P008UX7 [0,0,0,0,0,1|2,0,1]=4 1214 B6R0.2 C\C(=C/C(=O)C)\O 1P003CFY [0,0,0,0,0,1|1,0,1]=3 1215 B6R0.2 C\C(=C\C(=O)O)\I 1P00CS58 [0,0,0,0,0,1|1,0,1]=3 1216 B6R0.2 ClC(=CC(=O)O)Cl 1P00AZBK [0,0,0,0,0,1|2,0,1]=4 1217 B6R0.2 ClC(CC(=O)O)Cl 1P027TVM [0,0,0,0,0,1|2,0,0]=3 1218 B6R0.2 FC(CC(=O)N)F 1P02856V [0,0,0,0,0,1|3,0,0]=4 1219 B6R0.2 FC(CC(=O)O)F 1P001O4C [0,0,0,0,0,1|2,0,0]=3 1220 B6R0.2 IC(=C)CC(=O)O 1P028XTD [0,0,0,0,0,1|1,0,2]=4 1221 B6R0.2 NC(=O)CC(=O)O 1P002NQP [0,0,0,0,0,1|1,0,2]=4 1222 B6R0.2 OB(CC(C)C)O 1P0035I8 [0,0,0,0,0,1|2,0,1]=4 1223 B6R0.2 [O-]C(=CC(=O)C)C 1P001DMI [0,0,0,0,0,1|1,0,2]=4 1224 B6R0.2 [O-]C(=CC(=O)C)C 1P007K19 [0,0,0,0,0,1|1,0,2]=4 1225 B6R0.2 [O-]C(=O)CC(=O)C 1P003B7E [0,0,0,0,0,1|0,0,3]=4 1226 B6R0.2 [O-]C(=O)CC(=O)C 1P003RRI [0,0,0,0,0,1|0,0,3]=4 1227 B6R0.2 [O-]C(=O)CC(O)C 1P001MOO [0,0,0,0,0,1|0,0,1]=2 1228 B6R0.2 [O-]C(=O)C[C@@H](O)C 1P000XO5 [0,0,0,0,0,1|0,0,1]=2 1229 B6R0.2 [O-]C(=O)C[C@H](O)C 1P0032U9 [0,0,0,0,0,1|0,0,1]=2 1230 B6R0.2 [O-]C(=O)C[S+](C)C 1P00I931 [0,0,0,0,0,1|2,0,1]=4 1231 B6R0.2 [O-][N+](=O)CC(O)C 1P01AM6O [0,0,0,0,0,1|1,0,1]=3 1232 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000730 [0,0,0,0,0,1|1,0,2]=4 1233 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000KUZ [0,0,0,0,0,1|1,0,2]=4 1234 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001JBG [0,0,0,0,0,1|1,0,2]=4 1235 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001O7Y [0,0,0,0,0,1|1,0,2]=4 1236 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001P65 [0,0,0,0,0,1|1,0,2]=4 1237 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0034ZO [0,0,0,0,0,1|1,0,2]=4 1238 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0035I1 [0,0,0,0,0,1|1,0,2]=4 1239 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003A2R [0,0,0,0,0,1|1,0,2]=4 1240 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003RWL [0,0,0,0,0,1|1,0,2]=4 1241 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00AP2Z [0,0,0,0,0,1|1,0,2]=4 1242 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00HXES [0,0,0,0,0,1|1,0,2]=4 1243 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00I3HS [0,0,0,0,0,1|1,0,2]=4 1244 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00IKWB [0,0,0,0,0,1|1,0,2]=4 1245 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P001CNL [0,0,0,0,0,1|1,0,2]=4 1246 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P00IM16 [0,0,0,0,0,1|1,0,2]=4 1247 B3R0.1 BrCC=O 1P00AOKP [2,0,0,0,0,0|1,0,0]=3 1248 B3R0.1 CC=CBr 1P003EJ6 [2,0,0,0,0,0|1,0,1]=4 1249 B3R0.1 CCC=O 1P000KDZ [2,0,0,0,0,0|0,0,0]=2 1250 B3R0.1 CCCBr 1P003370 [2,0,0,0,0,0|1,0,1]=4 1251 B3R0.1 CCCI 1P003EWL [2,0,0,0,0,0|1,0,1]=4 1252 B3R0.1 CCCN 1P003TSK [2,0,0,0,0,0|1,0,1]=4 1253 B3R0.1 CCCN 1P00AQWV [2,0,0,0,0,0|1,0,1]=4 1254 B3R0.1 CCCN 1P00E0IW [2,0,0,0,0,0|1,0,1]=4 1255 B3R0.1 CCCO 1P0033AN [2,0,0,0,0,0|0,0,1]=3 1256 B3R0.1 CCC[CH2] 1P003OTI [2,0,0,0,0,0|1,0,1]=4 1257 B3R0.1 CCC[CH2] 1P00C3KK [2,0,0,0,0,0|1,0,1]=4 1258 B3R0.1 CCNN 1P0037OA [2,0,0,0,0,0|2,0,0]=4 1259 B3R0.1 CCNN 1P00ACTJ [2,0,0,0,0,0|2,0,0]=4 1260 B3R0.1 CCNN 1P019LMQ [2,0,0,0,0,0|2,0,0]=4 1261 B3R0.1 CCNO 1P0035UF [2,0,0,0,0,0|1,0,0]=3 1262 B3R0.1 CCON 1P003QFJ [2,0,0,0,0,0|2,0,0]=4 1263 B3R0.1 CCON 1P00EJ20 [2,0,0,0,0,0|2,0,0]=4 1264 B3R0.1 CC[Mg]Br 1P0035DY [2,0,0,0,0,0|2,0,0]=4 1265 B3R0.1 CC[Mg]Cl 1P003R04 [2,0,0,0,0,0|2,0,0]=4 1266 B3R0.1 CC[N-]C 1P0021R9 [2,0,0,0,0,0|2,0,0]=4 1267 B3R0.1 CNC=O 1P000KDY [2,0,0,0,0,0|1,0,0]=3 1268 B3R0.1 CNC=S 1P002E6Y [2,0,0,0,0,0|1,1,0]=4 1269 B3R0.1 CNCC 1P003TOC [2,0,0,0,0,0|2,0,0]=4 1270 B3R0.1 CNCC 1P00IBHJ [2,0,0,0,0,0|2,0,0]=4 1271 B3R0.1 CSC=C 1P0023XT [2,0,0,0,0,0|2,0,0]=4 1272 B3R0.1 CSCC 1P003SL2 [2,0,0,0,0,0|2,0,0]=4 1273 B3R0.1 C\C=C/Br 1P003PEF [2,0,0,0,0,0|1,0,1]=4 1274 B3R0.1 ICC=C 1P0034WJ [2,0,0,0,0,0|2,0,0]=4 1275 B3R0.1 NCC=C 1P0001ME [2,0,0,0,0,0|2,0,0]=4 1276 B3R0.1 NCCO 1P001G7D [2,0,0,0,0,0|1,0,1]=4 1277 B3R0.1 NCCO 1P002D2T [2,0,0,0,0,0|1,0,1]=4 1278 B3R0.1 NNC=O 1P0035F5 [2,0,0,0,0,0|2,0,0]=4 1279 B3R0.1 N\C=N/O 1P003TJ5 [2,0,0,0,0,0|2,0,0]=4 1280 B3R0.1 O=CC#C 1P00EADX [2,0,0,0,0,0|0,0,2]=4 1281 B3R0.1 O=CC=O 1P007TP3 [2,0,0,0,0,0|0,0,2]=4 1282 B3R0.1 OCC#C 1P003UFM [2,0,0,0,0,0|1,0,1]=4 1283 B3R0.1 OCCBr 1P0033N1 [2,0,0,0,0,0|1,0,1]=4 1284 B3R0.1 OCCI 1P0037GU [2,0,0,0,0,0|1,0,1]=4 1285 B3R0.1 OCCO 1P0036BL [2,0,0,0,0,0|0,0,1]=3 1286 B3R0.1 OCCO 1P007OVX [2,0,0,0,0,0|0,0,1]=3 1287 B3R0.1 OCCS 1P0037WO [2,0,0,0,0,0|0,1,1]=4 1288 B3R0.1 OO[BH]=O 1P003B22 [2,0,0,0,0,0|2,0,0]=4 1289 B3R0.1 SCC=C 1P003ID2 [2,0,0,0,0,0|1,1,0]=4 1290 B3R0.1 [C-]#[N+]CC 1P00EBTM [2,0,0,0,0,0|2,0,0]=4 1291 B3R0.1 [CH2-]CCC 1P003VLM [2,0,0,0,0,0|1,0,1]=4 1292 B3R0.1 [O-]CCC 1P00375V [2,0,0,0,0,0|0,0,2]=4 1293 B3R0.1 [O-]CCC 1P006XBD [2,0,0,0,0,0|0,0,2]=4 1294 B3R0.2 C(=O)([2H])[2H] 1P001X6E [2,0,0,0,0,0|2,0,0]=4 1295 B3R0.2 CB(O)O 1P000V65 [2,0,0,0,0,0|1,0,0]=3 1296 B3R0.2 CC(=C)Br 1P003H9H [2,0,0,0,0,0|1,0,1]=4 1297 B3R0.2 CC(=N)N 1P000LTV [2,0,0,0,0,0|2,0,0]=4 1298 B3R0.2 CC(=N)N 1P00AQWL [2,0,0,0,0,0|2,0,0]=4 1299 B3R0.2 CC(=N)N 1P00C7IS [2,0,0,0,0,0|2,0,0]=4 1300 B3R0.2 CC(=N)N 1P01FNSE [2,0,0,0,0,0|2,0,0]=4 1301 B3R0.2 CC(=O)Br 1P003O4B [2,0,0,0,0,0|1,0,0]=3 1302 B3R0.2 CC(=O)I 1P003O4D [2,0,0,0,0,0|1,0,0]=3 1303 B3R0.2 CC(=O)N 1P003O32 [2,0,0,0,0,0|1,0,0]=3 1304 B3R0.2 CC(=O)N 1P007M0A [2,0,0,0,0,0|1,0,0]=3 1305 B3R0.2 CC(=O)O 1P000R54 [2,0,0,0,0,0|0,0,0]=2 1306 B3R0.2 CC(=O)O 1P0011AC [2,0,0,0,0,0|0,0,0]=2 1307 B3R0.2 CC(=O)O 1P001AGE [2,0,0,0,0,0|0,0,0]=2 1308 B3R0.2 CC(=O)O 1P002JJY [2,0,0,0,0,0|0,0,0]=2 1309 B3R0.2 CC(=O)O 1P0035F2 [2,0,0,0,0,0|0,0,0]=2 1310 B3R0.2 CC(=O)O 1P0036MT [2,0,0,0,0,0|0,0,0]=2 1311 B3R0.2 CC(=O)O 1P003PIJ [2,0,0,0,0,0|0,0,0]=2 1312 B3R0.2 CC(=O)O 1P003QZL [2,0,0,0,0,0|0,0,0]=2 1313 B3R0.2 CC(=O)O 1P00BXZ6 [2,0,0,0,0,0|0,0,0]=2 1314 B3R0.2 CC(=O)O 1P00D56H [2,0,0,0,0,0|0,0,0]=2 1315 B3R0.2 CC(=O)O 1P00ILYO [2,0,0,0,0,0|0,0,0]=2 1316 B3R0.2 CC(=O)O 1P00JKYL [2,0,0,0,0,0|0,0,0]=2 1317 B3R0.2 CC(=O)O 1P01DOOL [2,0,0,0,0,0|0,0,0]=2 1318 B3R0.2 CC(=S)N 1P00365G [2,0,0,0,0,0|1,1,0]=4 1319 B3R0.2 CC(=S)O 1P00365H [2,0,0,0,0,0|0,1,0]=3 1320 B3R0.2 CC(Br)Br 1P003DOU [2,0,0,0,0,0|2,0,0]=4 1321 B3R0.2 CC(Br)C 1P0035IR [2,0,0,0,0,0|1,0,1]=4 1322 B3R0.2 CC(Br)Cl 1P003EJ5 [2,0,0,0,0,0|2,0,0]=4 1323 B3R0.2 CC(N)C 1P001OLC [2,0,0,0,0,0|1,0,1]=4 1324 B3R0.2 CC(N)C 1P00IMYX [2,0,0,0,0,0|1,0,1]=4 1325 B3R0.2 CC(O)C 1P001MMY [2,0,0,0,0,0|0,0,1]=3 1326 B3R0.2 CC(O)C 1P003OFY [2,0,0,0,0,0|0,0,1]=3 1327 B3R0.2 CC(O)C 1P007YD2 [2,0,0,0,0,0|0,0,1]=3 1328 B3R0.2 CC(O)C 1P00BEMS [2,0,0,0,0,0|0,0,1]=3 1329 B3R0.2 CC(S)C 1P003ICZ [2,0,0,0,0,0|0,1,1]=4 1330 B3R0.2 CN(O)C 1P001X7Y [2,0,0,0,0,0|1,0,1]=4 1331 B3R0.2 CP(=O)C 1P00371X [2,0,0,0,0,0|2,0,0]=4 1332 B3R0.2 CS(=O)C 1P0037AO [2,0,0,0,0,0|2,0,0]=4 1333 B3R0.2 CS(=O)Cl 1P005R2U [2,0,0,0,0,0|2,0,0]=4 1334 B3R0.2 CS(=O)N 1P0035LH [2,0,0,0,0,0|2,0,0]=4 1335 B3R0.2 C[N+](=C)C 1P003QEY [2,0,0,0,0,0|2,0,0]=4 1336 B3R0.2 C[Se](=O)C 1P00DVQU [2,0,0,0,0,0|2,0,0]=4 1337 B3R0.2 C[Sn](=O)C 1P007OFO [2,0,0,0,0,0|2,0,0]=4 1338 B3R0.2 ClC(=O)Cl 1P006VD2 [2,0,0,0,0,0|2,0,0]=4 1339 B3R0.2 ClC(=O)[Au] 1P003PA1 [2,0,0,0,0,0|2,0,0]=4 1340 B3R0.2 NC(=O)N 1P003690 [2,0,0,0,0,0|2,0,0]=4 1341 B3R0.2 N[13C](=O)N 1P00IASO [2,0,0,0,0,0|2,0,0]=4 1342 B3R0.2 OB(O)O 1P0002FS [2,0,0,0,0,0|1,0,1]=4 1343 B3R0.2 OB(O)O 1P000QPO [2,0,0,0,0,0|1,0,1]=4 1344 B3R0.2 OC(=O)O 1P0013DE [2,0,0,0,0,0|0,0,0]=2 1345 B3R0.2 OC(=O)O 1P001M71 [2,0,0,0,0,0|0,0,0]=2 1346 B3R0.2 OC(=O)O 1P002KHE [2,0,0,0,0,0|0,0,0]=2 1347 B3R0.2 OC(=O)O 1P003P80 [2,0,0,0,0,0|0,0,0]=2 1348 B3R0.2 OC(=O)O 1P00IKVL [2,0,0,0,0,0|0,0,0]=2 1349 B3R0.2 ON(=O)=O 1P001PP0 [2,0,0,0,0,0|1,0,1]=4 1350 B3R0.2 OP(=O)=O 1P001444 [2,0,0,0,0,0|1,0,1]=4 1351 B3R0.2 OP(=O)=O 1P0014AD [2,0,0,0,0,0|1,0,1]=4 1352 B3R0.2 OP(=O)=O 1P00IM6X [2,0,0,0,0,0|1,0,1]=4 1353 B3R0.2 OP(=O)=O 1P01R1QT [2,0,0,0,0,0|1,0,1]=4 1354 B3R0.2 OP(=O)O 1P003VGE [2,0,0,0,0,0|1,0,0]=3 1355 B3R0.2 OP(=O)O 1P009DQY [2,0,0,0,0,0|1,0,0]=3 1356 B3R0.2 OS(=O)O 1P00IDCS [2,0,0,0,0,0|1,0,0]=3 1357 B3R0.2 O[13C](=O)O 1P004M1T [2,0,0,0,0,0|0,0,0]=2 1358 B3R0.2 O[Bi](O)O 1P003OUD [2,0,0,0,0,0|1,0,1]=4 1359 B3R0.2 O[Cr](O)O 1P000VFV [2,0,0,0,0,0|1,0,1]=4 1360 B3R0.2 O[Fe](O)O 1P000VJV [2,0,0,0,0,0|1,0,1]=4 1361 B3R0.2 O[I](=O)=O 1P0035HP [2,0,0,0,0,0|1,0,1]=4 1362 B3R0.2 O[I](=O)=O 1P008YG5 [2,0,0,0,0,0|1,0,1]=4 1363 B3R0.2 O[In](O)O 1P002J2D [2,0,0,0,0,0|1,0,1]=4 1364 B3R0.2 O[Se](=O)O 1P0057W7 [2,0,0,0,0,0|1,0,0]=3 1365 B3R0.2 O[Si](=O)O 1P00040Q [2,0,0,0,0,0|0,1,0]=3 1366 B3R0.2 [13CH3]C(=O)O 1P001P4Q [2,0,0,0,0,0|0,0,0]=2 1367 B3R0.2 [15NH2]C(=O)[15NH2] 1P002J3S [2,0,0,0,0,0|2,0,0]=4 1368 B3R0.2 [15NH2][13C](=O)[15NH2] 1P00EE58 [2,0,0,0,0,0|2,0,0]=4 1369 B3R0.2 [BH3-]C(=O)[O-] 1P00JO85 [2,0,0,0,0,0|1,0,1]=4 1370 B3R0.2 [CH-]=C(C)C 1P00FGTR [2,0,0,0,0,0|2,0,0]=4 1371 B3R0.2 [CH2-]C(=C)C 1P009ECO [2,0,0,0,0,0|1,0,1]=4 1372 B3R0.2 [O-]C(=O)C 1P000EWY [2,0,0,0,0,0|0,0,1]=3 1373 B3R0.2 [O-]C(=O)C 1P000WZ6 [2,0,0,0,0,0|0,0,1]=3 1374 B3R0.2 [O-]C(=O)C 1P001QE8 [2,0,0,0,0,0|0,0,1]=3 1375 B3R0.2 [O-]C(=O)C 1P001T3R [2,0,0,0,0,0|0,0,1]=3 1376 B3R0.2 [O-]C(=O)C 1P002JR8 [2,0,0,0,0,0|0,0,1]=3 1377 B3R0.2 [O-]C(=O)C 1P002R03 [2,0,0,0,0,0|0,0,1]=3 1378 B3R0.2 [O-]C(=O)C 1P0030OU [2,0,0,0,0,0|0,0,1]=3 1379 B3R0.2 [O-]C(=O)C 1P00326R [2,0,0,0,0,0|0,0,1]=3 1380 B3R0.2 [O-]C(=O)C 1P00351R [2,0,0,0,0,0|0,0,1]=3 1381 B3R0.2 [O-]C(=O)C 1P00353M [2,0,0,0,0,0|0,0,1]=3 1382 B3R0.2 [O-]C(=O)C 1P0035L7 [2,0,0,0,0,0|0,0,1]=3 1383 B3R0.2 [O-]C(=O)C 1P0035L9 [2,0,0,0,0,0|0,0,1]=3 1384 B3R0.2 [O-]C(=O)C 1P0035LA [2,0,0,0,0,0|0,0,1]=3 1385 B3R0.2 [O-]C(=O)C 1P0035WS [2,0,0,0,0,0|0,0,1]=3 1386 B3R0.2 [O-]C(=O)C 1P00361O [2,0,0,0,0,0|0,0,1]=3 1387 B3R0.2 [O-]C(=O)C 1P00369N [2,0,0,0,0,0|0,0,1]=3 1388 B3R0.2 [O-]C(=O)C 1P003784 [2,0,0,0,0,0|0,0,1]=3 1389 B3R0.2 [O-]C(=O)C 1P0037JI [2,0,0,0,0,0|0,0,1]=3 1390 B3R0.2 [O-]C(=O)C 1P0037KC [2,0,0,0,0,0|0,0,1]=3 1391 B3R0.2 [O-]C(=O)C 1P0037P4 [2,0,0,0,0,0|0,0,1]=3 1392 B3R0.2 [O-]C(=O)C 1P003ODR [2,0,0,0,0,0|0,0,1]=3 1393 B3R0.2 [O-]C(=O)C 1P003OFF [2,0,0,0,0,0|0,0,1]=3 1394 B3R0.2 [O-]C(=O)C 1P003OUB [2,0,0,0,0,0|0,0,1]=3 1395 B3R0.2 [O-]C(=O)C 1P003PHP [2,0,0,0,0,0|0,0,1]=3 1396 B3R0.2 [O-]C(=O)C 1P003PHQ [2,0,0,0,0,0|0,0,1]=3 1397 B3R0.2 [O-]C(=O)C 1P003REN [2,0,0,0,0,0|0,0,1]=3 1398 B3R0.2 [O-]C(=O)C 1P003RPL [2,0,0,0,0,0|0,0,1]=3 1399 B3R0.2 [O-]C(=O)C 1P003RRG [2,0,0,0,0,0|0,0,1]=3 1400 B3R0.2 [O-]C(=O)C 1P003RRH [2,0,0,0,0,0|0,0,1]=3 1401 B3R0.2 [O-]C(=O)C 1P003RV2 [2,0,0,0,0,0|0,0,1]=3 1402 B3R0.2 [O-]C(=O)C 1P003TJZ [2,0,0,0,0,0|0,0,1]=3 1403 B3R0.2 [O-]C(=O)C 1P003ULV [2,0,0,0,0,0|0,0,1]=3 1404 B3R0.2 [O-]C(=O)C 1P003UVW [2,0,0,0,0,0|0,0,1]=3 1405 B3R0.2 [O-]C(=O)C 1P003UW9 [2,0,0,0,0,0|0,0,1]=3 1406 B3R0.2 [O-]C(=O)C 1P003V2Z [2,0,0,0,0,0|0,0,1]=3 1407 B3R0.2 [O-]C(=O)C 1P003VA8 [2,0,0,0,0,0|0,0,1]=3 1408 B3R0.2 [O-]C(=O)C 1P005IJZ [2,0,0,0,0,0|0,0,1]=3 1409 B3R0.2 [O-]C(=O)C 1P005T7L [2,0,0,0,0,0|0,0,1]=3 1410 B3R0.2 [O-]C(=O)C 1P008UKT [2,0,0,0,0,0|0,0,1]=3 1411 B3R0.2 [O-]C(=O)C 1P00HY06 [2,0,0,0,0,0|0,0,1]=3 1412 B3R0.2 [O-]C(=O)C 1P00IAP7 [2,0,0,0,0,0|0,0,1]=3 1413 B3R0.2 [O-]C(=O)C 1P00IB5Y [2,0,0,0,0,0|0,0,1]=3 1414 B3R0.2 [O-]C(=O)C 1P00IBAT [2,0,0,0,0,0|0,0,1]=3 1415 B3R0.2 [O-]C(=O)C 1P00IKWW [2,0,0,0,0,0|0,0,1]=3 1416 B3R0.2 [O-]C(=O)C 1P01DOOH [2,0,0,0,0,0|0,0,1]=3 1417 B3R0.2 [O-]C(=O)C 1P01WTSB [2,0,0,0,0,0|0,0,1]=3 1418 B3R0.2 [O-]C(=O)N 1P007BXH [2,0,0,0,0,0|1,0,1]=4 1419 B3R0.2 [O-]C(=O)O 1P0035YU [2,0,0,0,0,0|0,0,1]=3 1420 B3R0.2 [O-]C(=O)O 1P00388R [2,0,0,0,0,0|0,0,1]=3 1421 B3R0.2 [O-]C(=O)O 1P0039FX [2,0,0,0,0,0|0,0,1]=3 1422 B3R0.2 [O-]C(=O)O 1P003RVA [2,0,0,0,0,0|0,0,1]=3 1423 B3R0.2 [O-]C(=O)O 1P0077K1 [2,0,0,0,0,0|0,0,1]=3 1424 B3R0.2 [O-]C(=O)[2H] 1P00C5WO [2,0,0,0,0,0|1,0,1]=4 1425 B3R0.2 [O-]C(=O)[O-] 1P0002V3 [2,0,0,0,0,0|0,0,2]=4 1426 B3R0.2 [O-]C(=O)[O-] 1P000RK5 [2,0,0,0,0,0|0,0,2]=4 1427 B3R0.2 [O-]C(=O)[O-] 1P001UH8 [2,0,0,0,0,0|0,0,2]=4 1428 B3R0.2 [O-]C(=O)[O-] 1P002M9Q [2,0,0,0,0,0|0,0,2]=4 1429 B3R0.2 [O-]C(=O)[O-] 1P002NIZ [2,0,0,0,0,0|0,0,2]=4 1430 B3R0.2 [O-]C(=O)[O-] 1P002ZMC [2,0,0,0,0,0|0,0,2]=4 1431 B3R0.2 [O-]C(=O)[O-] 1P0034Y4 [2,0,0,0,0,0|0,0,2]=4 1432 B3R0.2 [O-]C(=O)[O-] 1P00351I [2,0,0,0,0,0|0,0,2]=4 1433 B3R0.2 [O-]C(=O)[O-] 1P0035L8 [2,0,0,0,0,0|0,0,2]=4 1434 B3R0.2 [O-]C(=O)[O-] 1P0035YY [2,0,0,0,0,0|0,0,2]=4 1435 B3R0.2 [O-]C(=O)[O-] 1P00362H [2,0,0,0,0,0|0,0,2]=4 1436 B3R0.2 [O-]C(=O)[O-] 1P00369O [2,0,0,0,0,0|0,0,2]=4 1437 B3R0.2 [O-]C(=O)[O-] 1P0036F5 [2,0,0,0,0,0|0,0,2]=4 1438 B3R0.2 [O-]C(=O)[O-] 1P0037S2 [2,0,0,0,0,0|0,0,2]=4 1439 B3R0.2 [O-]C(=O)[O-] 1P003B00 [2,0,0,0,0,0|0,0,2]=4 1440 B3R0.2 [O-]C(=O)[O-] 1P003OB3 [2,0,0,0,0,0|0,0,2]=4 1441 B3R0.2 [O-]C(=O)[O-] 1P003P3N [2,0,0,0,0,0|0,0,2]=4 1442 B3R0.2 [O-]C(=O)[O-] 1P003PHJ [2,0,0,0,0,0|0,0,2]=4 1443 B3R0.2 [O-]C(=O)[O-] 1P003PHK [2,0,0,0,0,0|0,0,2]=4 1444 B3R0.2 [O-]C(=O)[O-] 1P003PJX [2,0,0,0,0,0|0,0,2]=4 1445 B3R0.2 [O-]C(=O)[O-] 1P003R0X [2,0,0,0,0,0|0,0,2]=4 1446 B3R0.2 [O-]C(=O)[O-] 1P003R6D [2,0,0,0,0,0|0,0,2]=4 1447 B3R0.2 [O-]C(=O)[O-] 1P003RRQ [2,0,0,0,0,0|0,0,2]=4 1448 B3R0.2 [O-]C(=O)[O-] 1P003TF3 [2,0,0,0,0,0|0,0,2]=4 1449 B3R0.2 [O-]C(=O)[O-] 1P003ULX [2,0,0,0,0,0|0,0,2]=4 1450 B3R0.2 [O-]C(=O)[O-] 1P003USM [2,0,0,0,0,0|0,0,2]=4 1451 B3R0.2 [O-]C(=O)[O-] 1P003USN [2,0,0,0,0,0|0,0,2]=4 1452 B3R0.2 [O-]C(=O)[O-] 1P003VT9 [2,0,0,0,0,0|0,0,2]=4 1453 B3R0.2 [O-]C(=O)[O-] 1P003VTP [2,0,0,0,0,0|0,0,2]=4 1454 B3R0.2 [O-]C(=O)[O-] 1P004KF2 [2,0,0,0,0,0|0,0,2]=4 1455 B3R0.2 [O-]C(=O)[O-] 1P0065CX [2,0,0,0,0,0|0,0,2]=4 1456 B3R0.2 [O-]C(=O)[O-] 1P0079KL [2,0,0,0,0,0|0,0,2]=4 1457 B3R0.2 [O-]C(=O)[O-] 1P0081LU [2,0,0,0,0,0|0,0,2]=4 1458 B3R0.2 [O-]C(=O)[O-] 1P0086OD [2,0,0,0,0,0|0,0,2]=4 1459 B3R0.2 [O-]C(=O)[O-] 1P00BDMM [2,0,0,0,0,0|0,0,2]=4 1460 B3R0.2 [O-]C(=O)[O-] 1P00D01T [2,0,0,0,0,0|0,0,2]=4 1461 B3R0.2 [O-]C(=O)[O-] 1P00DCSY [2,0,0,0,0,0|0,0,2]=4 1462 B3R0.2 [O-]C(=O)[O-] 1P00EB2M [2,0,0,0,0,0|0,0,2]=4 1463 B3R0.2 [O-]C(=O)[O-] 1P00EDW8 [2,0,0,0,0,0|0,0,2]=4 1464 B3R0.2 [O-]C(=O)[O-] 1P00EDW9 [2,0,0,0,0,0|0,0,2]=4 1465 B3R0.2 [O-]C(=O)[O-] 1P00G9SD [2,0,0,0,0,0|0,0,2]=4 1466 B3R0.2 [O-]C(=O)[O-] 1P00IBQQ [2,0,0,0,0,0|0,0,2]=4 1467 B3R0.2 [O-]C(=O)[O-] 1P00IM29 [2,0,0,0,0,0|0,0,2]=4 1468 B3R0.2 [O-]C(=O)[O-] 1P00JN1H [2,0,0,0,0,0|0,0,2]=4 1469 B3R0.2 [O-]C(C)C 1P002KTZ [2,0,0,0,0,0|0,0,2]=4 1470 B3R0.2 [O-]C(C)C 1P0034X0 [2,0,0,0,0,0|0,0,2]=4 1471 B3R0.2 [O-]C(C)C 1P0036DB [2,0,0,0,0,0|0,0,2]=4 1472 B3R0.2 [O-]C(C)C 1P003PUL [2,0,0,0,0,0|0,0,2]=4 1473 B3R0.2 [O-]C(C)C 1P003VJH [2,0,0,0,0,0|0,0,2]=4 1474 B3R0.2 [O-]C(C)C 1P00I4OE [2,0,0,0,0,0|0,0,2]=4 1475 B3R0.2 [O-]P(=O)O 1P001C6A [2,0,0,0,0,0|1,0,1]=4 1476 B3R0.2 [O-]P(=O)O 1P0059FV [2,0,0,0,0,0|1,0,1]=4 1477 B3R0.2 [O-]S(=O)C 1P0028VY [2,0,0,0,0,0|1,0,1]=4 1478 B3R0.2 [O-]S(=O)O 1P003USH [2,0,0,0,0,0|1,0,1]=4 1479 B3R0.2 [O-][13C](=O)C 1P002NN0 [2,0,0,0,0,0|0,0,1]=3 1480 B3R0.2 [O-][13C](=O)[13CH3] 1P00EB1X [2,0,0,0,0,0|0,0,1]=3 1481 B3R0.2 [O-][13C](=O)[O-] 1P003OFJ [2,0,0,0,0,0|0,0,2]=4 1482 B3R0.2 [O-][13C](=O)[O-] 1P00GVQ7 [2,0,0,0,0,0|0,0,2]=4 1483 B3R0.2 [O-][Si](=O)O 1P0039YQ [2,0,0,0,0,0|0,1,1]=4 1484 B3R0.2 [S-]C(=O)C 1P0035Z4 [2,0,0,0,0,0|0,1,0]=3 1485 B3R0.2 [S-]C(=S)C 1P027XF9 [2,0,0,0,0,0|0,2,0]=4 1486 B5R0.1 C=COC(C)C 1P00369A [1,1,0,0,0,0|2,0,0]=4 1487 B5R0.1 CC#CC(=O)C 1P008R9O [1,1,0,0,0,0|1,0,1]=4 1488 B5R0.1 CC#CC(=O)Cl 1P01GBON [1,1,0,0,0,0|1,0,1]=4 1489 B5R0.1 CC#CC(=O)N 1P0284HG [1,1,0,0,0,0|1,0,1]=4 1490 B5R0.1 CC#CC(=O)O 1P0037I0 [1,1,0,0,0,0|0,0,1]=3 1491 B5R0.1 CC(=C)CCBr 1P002D6V [1,1,0,0,0,0|2,0,0]=4 1492 B5R0.1 CC(=C)CCI 1P01BBJI [1,1,0,0,0,0|2,0,0]=4 1493 B5R0.1 CC(=C)CCN 1P01AVCN [1,1,0,0,0,0|2,0,0]=4 1494 B5R0.1 CC(=C)CCO 1P003K67 [1,1,0,0,0,0|2,0,0]=4 1495 B5R0.1 CC(=C)CON 1P00DCMU [1,1,0,0,0,0|2,0,0]=4 1496 B5R0.1 CC(=O)C=NO 1P00314I [1,1,0,0,0,0|0,0,2]=4 1497 B5R0.1 CC(=O)CC#N 1P002PIW [1,1,0,0,0,0|1,0,1]=4 1498 B5R0.1 CC(=O)CC=C 1P001AA7 [1,1,0,0,0,0|1,0,1]=4 1499 B5R0.1 CC(=O)CCBr 1P002W1I [1,1,0,0,0,0|1,0,0]=3 1500 B5R0.1 CC(=O)CCCl 1P0036JS [1,1,0,0,0,0|1,0,0]=3 1501 B5R0.1 CC(=O)CCI 1P028RF9 [1,1,0,0,0,0|1,0,0]=3 1502 B5R0.1 CC(=O)CCN 1P00I4LI [1,1,0,0,0,0|1,0,0]=3 1503 B5R0.1 CC(=O)CCO 1P0034IJ [1,1,0,0,0,0|1,0,0]=3 1504 B5R0.1 CC(=O)NCO 1P0037Q6 [1,1,0,0,0,0|1,0,0]=3 1505 B5R0.1 CC(=O)OCBr 1P003P1B [1,1,0,0,0,0|2,0,0]=4 1506 B5R0.1 CC(=O)OCCl 1P0037HI [1,1,0,0,0,0|2,0,0]=4 1507 B5R0.1 CC(=O)OCI 1P01BE17 [1,1,0,0,0,0|2,0,0]=4 1508 B5R0.1 CC(=O)SCBr 1P01BIB9 [1,1,0,0,0,0|2,0,0]=4 1509 B5R0.1 CC(=O)SCI 1P01EMD1 [1,1,0,0,0,0|2,0,0]=4 1510 B5R0.1 CC(C=NO)C 1P00AOPK [1,1,0,0,0,0|1,0,0]=3 1511 B5R0.1 CC(CC#C)O 1P003MFB [1,1,0,0,0,0|1,0,1]=4 1512 B5R0.1 CC(CC#N)O 1P003K13 [1,1,0,0,0,0|1,0,1]=4 1513 B5R0.1 CC(CC=C)Br 1P00CRRM [1,1,0,0,0,0|2,0,0]=4 1514 B5R0.1 CC(CC=C)I 1P027V5I [1,1,0,0,0,0|2,0,0]=4 1515 B5R0.1 CC(CC=C)N 1P01AJI0 [1,1,0,0,0,0|2,0,0]=4 1516 B5R0.1 CC(CC=C)O 1P003MEX [1,1,0,0,0,0|1,0,0]=3 1517 B5R0.1 CC(CCBr)O 1P00EBF3 [1,1,0,0,0,0|1,0,1]=4 1518 B5R0.1 CC(CCCl)O 1P01B263 [1,1,0,0,0,0|1,0,1]=4 1519 B5R0.1 CC(CCN)O 1P00C8Q0 [1,1,0,0,0,0|1,0,1]=4 1520 B5R0.1 CC(CCO)Cl 1P01AV14 [1,1,0,0,0,0|1,0,1]=4 1521 B5R0.1 CC(CCO)F 1P0280HC [1,1,0,0,0,0|1,0,1]=4 1522 B5R0.1 CC(CCO)N 1P002WI2 [1,1,0,0,0,0|1,0,1]=4 1523 B5R0.1 CC(CCO)S 1P019RAT [1,1,0,0,0,0|0,1,1]=4 1524 B5R0.1 CC(CNN)O 1P00757H [1,1,0,0,0,0|1,0,1]=4 1525 B5R0.1 CC(CON)O 1P00CNOF [1,1,0,0,0,0|0,0,1]=3 1526 B5R0.1 CC(CON)O 1P00IJ60 [1,1,0,0,0,0|0,0,1]=3 1527 B5R0.1 CC(N=C=O)C 1P0027IJ [1,1,0,0,0,0|1,0,1]=4 1528 B5R0.1 CC(\C=N\O)C 1P01GJ99 [1,1,0,0,0,0|1,0,0]=3 1529 B5R0.1 CC=CC(=O)C 1P0039SF [1,1,0,0,0,0|1,0,1]=4 1530 B5R0.1 CC=CC(=O)N 1P002NE7 [1,1,0,0,0,0|1,0,1]=4 1531 B5R0.1 CCCB(O)O 1P0025SU [1,1,0,0,0,0|1,0,1]=4 1532 B5R0.1 CCCC(=C)C 1P003I23 [1,1,0,0,0,0|2,0,0]=4 1533 B5R0.1 CCCC(=N)N 1P003ABQ [1,1,0,0,0,0|2,0,0]=4 1534 B5R0.1 CCCC(=O)C 1P0038PH [1,1,0,0,0,0|1,0,0]=3 1535 B5R0.1 CCCC(=O)N 1P003P36 [1,1,0,0,0,0|1,0,0]=3 1536 B5R0.1 CCCC(=O)O 1P0038GU [1,1,0,0,0,0|0,0,0]=2 1537 B5R0.1 CCCC(=O)[O-] 1P00EBJ7 [1,1,0,0,0,0|0,0,1]=3 1538 B5R0.1 CCCC(=O)[O-] 1P01XCJO [1,1,0,0,0,0|0,0,1]=3 1539 B5R0.1 CCCC(=S)N 1P001WK6 [1,1,0,0,0,0|1,1,0]=4 1540 B5R0.1 CCCC(=S)O 1P003K88 [1,1,0,0,0,0|0,1,0]=3 1541 B5R0.1 CCCC(O)C 1P00F3M1 [1,1,0,0,0,0|1,0,1]=4 1542 B5R0.1 CCCN(=O)=O 1P003F15 [1,1,0,0,0,0|1,0,1]=4 1543 B5R0.1 CCCS(=O)Cl 1P002N6R [1,1,0,0,0,0|2,0,0]=4 1544 B5R0.1 CCCS(=O)N 1P01BFYB [1,1,0,0,0,0|2,0,0]=4 1545 B5R0.1 CCC[C@@H](O)C 1P002SLB [1,1,0,0,0,0|1,0,1]=4 1546 B5R0.1 CCC[C@H](O)C 1P0032K0 [1,1,0,0,0,0|1,0,1]=4 1547 B5R0.1 CCNC(=N)N 1P003TH2 [1,1,0,0,0,0|2,0,0]=4 1548 B5R0.1 CCNC(=O)C 1P003TGP [1,1,0,0,0,0|1,0,0]=3 1549 B5R0.1 CCNC(=O)N 1P0035E0 [1,1,0,0,0,0|1,0,0]=3 1550 B5R0.1 CCNC(=S)N 1P003R0B [1,1,0,0,0,0|1,1,0]=4 1551 B5R0.1 CCOC(=N)C 1P0035CH [1,1,0,0,0,0|2,0,0]=4 1552 B5R0.1 CCOC(=O)C 1P001G6Z [1,1,0,0,0,0|1,0,0]=3 1553 B5R0.1 CCOC(=O)N 1P003691 [1,1,0,0,0,0|1,0,0]=3 1554 B5R0.1 CCOC(=S)C 1P003QF6 [1,1,0,0,0,0|1,1,0]=4 1555 B5R0.1 CCOC(=S)Cl 1P007LT2 [1,1,0,0,0,0|1,1,0]=4 1556 B5R0.1 CCOC(=S)N 1P00391U [1,1,0,0,0,0|1,1,0]=4 1557 B5R0.1 CCOP(=O)C 1P001V0C [1,1,0,0,0,0|2,0,0]=4 1558 B5R0.1 CCSC(=N)N 1P003UPH [1,1,0,0,0,0|2,0,0]=4 1559 B5R0.1 CC[O+]=C(N)N 1P00BZYF [1,1,0,0,0,0|2,0,0]=4 1560 B5R0.1 CNCC(=C)Br 1P02823C [1,1,0,0,0,0|2,0,0]=4 1561 B5R0.1 CNCC(=C)C 1P01BV54 [1,1,0,0,0,0|2,0,0]=4 1562 B5R0.1 CNCC(=C)F 1P028F1V [1,1,0,0,0,0|2,0,0]=4 1563 B5R0.1 CNCC(=O)N 1P0033CB [1,1,0,0,0,0|1,0,0]=3 1564 B5R0.1 CNCC(=O)O 1P003UNZ [1,1,0,0,0,0|0,0,0]=2 1565 B5R0.1 CNCC(=O)O 1P003UO1 [1,1,0,0,0,0|0,0,0]=2 1566 B5R0.1 CNCC(O)C 1P001XCL [1,1,0,0,0,0|1,0,1]=4 1567 B5R0.1 CNC[C@@H](O)C 1P00FID0 [1,1,0,0,0,0|1,0,1]=4 1568 B5R0.1 CNC[C@@H](O)C 1P01BB67 [1,1,0,0,0,0|1,0,1]=4 1569 B5R0.1 CNC[C@H](O)C 1P00A1NI [1,1,0,0,0,0|1,0,1]=4 1570 B5R0.1 CNC[C@H](O)C 1P01BAVA [1,1,0,0,0,0|1,0,1]=4 1571 B5R0.1 CNNC(=O)C 1P0284CW [1,1,0,0,0,0|2,0,0]=4 1572 B5R0.1 CNOC(=O)C 1P003TW6 [1,1,0,0,0,0|2,0,0]=4 1573 B5R0.1 COCC(=C)Br 1P003ZIJ [1,1,0,0,0,0|2,0,0]=4 1574 B5R0.1 COCC(=C)C 1P00CC6P [1,1,0,0,0,0|2,0,0]=4 1575 B5R0.1 COCC(=N)N 1P002EXM [1,1,0,0,0,0|2,0,0]=4 1576 B5R0.1 COCC(=O)C 1P0035LL [1,1,0,0,0,0|1,0,0]=3 1577 B5R0.1 COCC(=O)Cl 1P003RYU [1,1,0,0,0,0|1,0,0]=3 1578 B5R0.1 COCC(=O)N 1P001UIN [1,1,0,0,0,0|1,0,0]=3 1579 B5R0.1 COCC(=O)O 1P0035LK [1,1,0,0,0,0|0,0,0]=2 1580 B5R0.1 COCC(=S)N 1P00PGHJ [1,1,0,0,0,0|1,1,0]=4 1581 B5R0.1 COCC(Br)C 1P007OXE [1,1,0,0,0,0|1,0,1]=4 1582 B5R0.1 COCC(I)C 1P01C0MQ [1,1,0,0,0,0|1,0,1]=4 1583 B5R0.1 COCC(N)C 1P00IC7T [1,1,0,0,0,0|1,0,1]=4 1584 B5R0.1 COCC(O)C 1P003399 [1,1,0,0,0,0|0,0,1]=3 1585 B5R0.1 COCC(S)C 1P0289F0 [1,1,0,0,0,0|0,1,1]=4 1586 B5R0.1 COC[C@@H](N)C 1P019T8E [1,1,0,0,0,0|1,0,1]=4 1587 B5R0.1 COC[C@@H](O)C 1P002U54 [1,1,0,0,0,0|0,0,1]=3 1588 B5R0.1 COC[C@H](N)C 1P003741 [1,1,0,0,0,0|1,0,1]=4 1589 B5R0.1 COC[C@H](N)C 1P003CJ4 [1,1,0,0,0,0|1,0,1]=4 1590 B5R0.1 COC[C@H](O)C 1P003960 [1,1,0,0,0,0|0,0,1]=3 1591 B5R0.1 CONC(=O)C 1P0037YO [1,1,0,0,0,0|2,0,0]=4 1592 B5R0.1 CONC(=O)N 1P00CZW1 [1,1,0,0,0,0|2,0,0]=4 1593 B5R0.1 CONC(C)C 1P01A1JI [1,1,0,0,0,0|2,0,0]=4 1594 B5R0.1 CS(=O)CCCl 1P01C4QD [1,1,0,0,0,0|2,0,0]=4 1595 B5R0.1 CS(=O)CCN 1P00DGD5 [1,1,0,0,0,0|2,0,0]=4 1596 B5R0.1 CSCC(=N)N 1P00VW0I [1,1,0,0,0,0|2,0,0]=4 1597 B5R0.1 CSCC(=O)C 1P001GCU [1,1,0,0,0,0|1,0,0]=3 1598 B5R0.1 CSCC(=O)Cl 1P007DQ1 [1,1,0,0,0,0|1,0,0]=3 1599 B5R0.1 CSCC(=O)N 1P0039C2 [1,1,0,0,0,0|1,0,0]=3 1600 B5R0.1 CSCC(=O)O 1P003CI8 [1,1,0,0,0,0|0,0,0]=2 1601 B5R0.1 CSCC(=S)N 1P001EKS [1,1,0,0,0,0|1,1,0]=4 1602 B5R0.1 CSCC(O)C 1P00FVJJ [1,1,0,0,0,0|0,1,1]=4 1603 B5R0.1 CSCS(=O)C 1P003SLK [1,1,0,0,0,0|2,0,0]=4 1604 B5R0.1 C[C@@H](CC#N)O 1P000LF6 [1,1,0,0,0,0|1,0,1]=4 1605 B5R0.1 C[C@@H](CC=C)O 1P003CY3 [1,1,0,0,0,0|1,0,0]=3 1606 B5R0.1 C[C@@H](CCF)O 1P027YW7 [1,1,0,0,0,0|1,0,1]=4 1607 B5R0.1 C[C@@H](CCN)O 1P01A1MV [1,1,0,0,0,0|1,0,1]=4 1608 B5R0.1 C[C@@H](CCO)F 1P027U2B [1,1,0,0,0,0|1,0,1]=4 1609 B5R0.1 C[C@@H](CCO)N 1P00392C [1,1,0,0,0,0|1,0,1]=4 1610 B5R0.1 C[C@H](CC#N)O 1P000NO3 [1,1,0,0,0,0|1,0,1]=4 1611 B5R0.1 C[C@H](CC=C)O 1P0032UG [1,1,0,0,0,0|1,0,0]=3 1612 B5R0.1 C[C@H](CCF)O 1P027YXB [1,1,0,0,0,0|1,0,1]=4 1613 B5R0.1 C[C@H](CCN)O 1P00I0QG [1,1,0,0,0,0|1,0,1]=4 1614 B5R0.1 C[C@H](CCN)O 1P01A1MU [1,1,0,0,0,0|1,0,1]=4 1615 B5R0.1 C[C@H](CCO)F 1P0280GN [1,1,0,0,0,0|1,0,1]=4 1616 B5R0.1 C[C@H](CCO)N 1P003CQ7 [1,1,0,0,0,0|1,0,1]=4 1617 B5R0.1 C\C=C\C(=O)C 1P0032ET [1,1,0,0,0,0|1,0,1]=4 1618 B5R0.1 C\C=C\C(=O)Cl 1P00359Z [1,1,0,0,0,0|1,0,1]=4 1619 B5R0.1 C\C=C\C(=O)N 1P00EF6M [1,1,0,0,0,0|1,0,1]=4 1620 B5R0.1 C\C=C\C(=O)O 1P00353L [1,1,0,0,0,0|0,0,1]=3 1621 B5R0.1 C\C=C\C(O)C 1P003KBH [1,1,0,0,0,0|1,0,0]=3 1622 B5R0.1 ClC(=O)CC#N 1P001SSB [1,1,0,0,0,0|1,0,1]=4 1623 B5R0.1 ClC(=O)CC=C 1P001EYT [1,1,0,0,0,0|1,0,1]=4 1624 B5R0.1 ClC(=O)CCBr 1P003JLT [1,1,0,0,0,0|1,0,0]=3 1625 B5R0.1 ClCCS(=O)Cl 1P01C9JU [1,1,0,0,0,0|2,0,0]=4 1626 B5R0.1 ClCOC(=O)Cl 1P0038AL [1,1,0,0,0,0|2,0,0]=4 1627 B5R0.1 FCCC(=O)Cl 1P006UO9 [1,1,0,0,0,0|1,0,0]=3 1628 B5R0.1 NC(=N)CCO 1P000YQA [1,1,0,0,0,0|2,0,0]=4 1629 B5R0.1 NC(=N)CCO 1P00DC0R [1,1,0,0,0,0|2,0,0]=4 1630 B5R0.1 NC(=O)CC#N 1P0033QM [1,1,0,0,0,0|1,0,1]=4 1631 B5R0.1 NC(=O)CCBr 1P003919 [1,1,0,0,0,0|1,0,0]=3 1632 B5R0.1 NC(=O)CCCl 1P003JS0 [1,1,0,0,0,0|1,0,0]=3 1633 B5R0.1 NC(=O)CCO 1P002TZD [1,1,0,0,0,0|1,0,0]=3 1634 B5R0.1 NC(=O)CCS 1P0038WG [1,1,0,0,0,0|1,0,0]=3 1635 B5R0.1 NC(=O)CN=C 1P003SKE [1,1,0,0,0,0|1,0,1]=4 1636 B5R0.1 NC(=O)CNO 1P0281CX [1,1,0,0,0,0|1,0,0]=3 1637 B5R0.1 NC(=S)CCO 1P0291FG [1,1,0,0,0,0|1,1,0]=4 1638 B5R0.1 NCCC(=N)N 1P01ACE1 [1,1,0,0,0,0|2,0,0]=4 1639 B5R0.1 NCCC(=O)N 1P00E94U [1,1,0,0,0,0|1,0,0]=3 1640 B5R0.1 NCCC(=O)O 1P00369Y [1,1,0,0,0,0|0,0,0]=2 1641 B5R0.1 NCCC(=S)N 1P01EIHU [1,1,0,0,0,0|1,1,0]=4 1642 B5R0.1 NCCP(=O)O 1P028LEE [1,1,0,0,0,0|1,0,0]=3 1643 B5R0.1 NCCS(=O)O 1P0035H1 [1,1,0,0,0,0|1,0,0]=3 1644 B5R0.1 NNCC(=O)N 1P00E0F3 [1,1,0,0,0,0|2,0,0]=4 1645 B5R0.1 NNCC(=O)O 1P001GYX [1,1,0,0,0,0|1,0,0]=3 1646 B5R0.1 NNCC(=O)O 1P01A6IH [1,1,0,0,0,0|1,0,0]=3 1647 B5R0.1 NOCC(=C)Cl 1P028BSS [1,1,0,0,0,0|2,0,0]=4 1648 B5R0.1 NOCC(=O)N 1P007ETV [1,1,0,0,0,0|1,0,0]=3 1649 B5R0.1 NOCC(=O)N 1P01A4U9 [1,1,0,0,0,0|1,0,0]=3 1650 B5R0.1 NOCC(=O)O 1P00291K [1,1,0,0,0,0|0,0,0]=2 1651 B5R0.1 NOCC(=O)O 1P002Y6G [1,1,0,0,0,0|0,0,0]=2 1652 B5R0.1 NOCC(=O)O 1P006TUD [1,1,0,0,0,0|0,0,0]=2 1653 B5R0.1 NOCC(C)C 1P003TXW [1,1,0,0,0,0|1,0,1]=4 1654 B5R0.1 NS(=O)CCCl 1P01C9JV [1,1,0,0,0,0|2,0,0]=4 1655 B5R0.1 O=CC=C(C)C 1P00347P [1,1,0,0,0,0|1,0,1]=4 1656 B5R0.1 O=CCC(C)C 1P003938 [1,1,0,0,0,0|1,0,0]=3 1657 B5R0.1 O=CCN(C)C 1P000R2Q [1,1,0,0,0,0|2,0,0]=4 1658 B5R0.1 O=CCN(C)C 1P001GSU [1,1,0,0,0,0|2,0,0]=4 1659 B5R0.1 O=CNC(C)C 1P00BBY6 [1,1,0,0,0,0|1,0,0]=3 1660 B5R0.1 O=CNN(C)C 1P00C6WA [1,1,0,0,0,0|2,0,0]=4 1661 B5R0.1 OC(=O)C#CBr 1P001YWD [1,1,0,0,0,0|0,0,2]=4 1662 B5R0.1 OC(=O)C=C=C 1P028O5X [1,1,0,0,0,0|0,0,2]=4 1663 B5R0.1 OC(=O)CC#C 1P002NQQ [1,1,0,0,0,0|0,0,1]=3 1664 B5R0.1 OC(=O)CC#N 1P00353R [1,1,0,0,0,0|0,0,1]=3 1665 B5R0.1 OC(=O)CC#N 1P008VPM [1,1,0,0,0,0|0,0,1]=3 1666 B5R0.1 OC(=O)CC=C 1P00369B [1,1,0,0,0,0|0,0,1]=3 1667 B5R0.1 OC(=O)CCBr 1P003JLR [1,1,0,0,0,0|0,0,0]=2 1668 B5R0.1 OC(=O)CCCl 1P003JS1 [1,1,0,0,0,0|0,0,0]=2 1669 B5R0.1 OC(=O)CCF 1P00DG5V [1,1,0,0,0,0|0,0,0]=2 1670 B5R0.1 OC(=O)CCI 1P001G70 [1,1,0,0,0,0|0,0,0]=2 1671 B5R0.1 OC(=O)CCS 1P00347D [1,1,0,0,0,0|0,0,0]=2 1672 B5R0.1 OC(=O)\C=C/Br 1P001VXS [1,1,0,0,0,0|0,0,2]=4 1673 B5R0.1 OC(=O)\C=C/Cl 1P001VXR [1,1,0,0,0,0|0,0,2]=4 1674 B5R0.1 OC(=O)\C=C/I 1P00E99X [1,1,0,0,0,0|0,0,2]=4 1675 B5R0.1 OC(=O)\C=C\Br 1P003CH9 [1,1,0,0,0,0|0,0,2]=4 1676 B5R0.1 OC(=O)\C=C\I 1P003CHA [1,1,0,0,0,0|0,0,2]=4 1677 B5R0.1 OCC=C(Br)Br 1P019YX7 [1,1,0,0,0,0|2,0,0]=4 1678 B5R0.1 OCC=C(C)C 1P003K5R [1,1,0,0,0,0|1,0,1]=4 1679 B5R0.1 OCC=C(Cl)Cl 1P0030FK [1,1,0,0,0,0|2,0,0]=4 1680 B5R0.1 OCC=C(F)F 1P027AGY [1,1,0,0,0,0|2,0,0]=4 1681 B5R0.1 OCCC(=C)Br 1P003JHK [1,1,0,0,0,0|2,0,0]=4 1682 B5R0.1 OCCC(=C)C 1P008NDS [1,1,0,0,0,0|2,0,0]=4 1683 B5R0.1 OCCC(=C)F 1P027XC4 [1,1,0,0,0,0|2,0,0]=4 1684 B5R0.1 OCCC(=O)O 1P00387S [1,1,0,0,0,0|0,0,0]=2 1685 B5R0.1 OCCC(C)C 1P000KDR [1,1,0,0,0,0|1,0,1]=4 1686 B5R0.1 OCCC(O)C 1P003BUN [1,1,0,0,0,0|0,0,1]=3 1687 B5R0.1 OCCN(=O)=O 1P0033VL [1,1,0,0,0,0|1,0,1]=4 1688 B5R0.1 OCC[C@@H](O)C 1P002PAL [1,1,0,0,0,0|0,0,1]=3 1689 B5R0.1 OCC[C@H](O)C 1P0032U4 [1,1,0,0,0,0|0,0,1]=3 1690 B5R0.1 ONCC(=C)Br 1P0289B9 [1,1,0,0,0,0|2,0,0]=4 1691 B5R0.1 ONCC(=O)O 1P007CCU [1,1,0,0,0,0|0,0,0]=2 1692 B5R0.1 SCCC(=O)O 1P007OUY [1,1,0,0,0,0|0,0,0]=2 1693 B5R0.1 [O-]C(=O)CC#N 1P00ICJS [1,1,0,0,0,0|0,0,2]=4 1694 B5R0.1 [O-]C(=O)CCC 1P001OVQ [1,1,0,0,0,0|0,0,1]=3 1695 B5R0.1 [O-]C(=O)CCN 1P001XGH [1,1,0,0,0,0|0,0,1]=3 1696 B5R0.1 [O-]C(=O)CCO 1P00EFHM [1,1,0,0,0,0|0,0,1]=3 1697 B5R0.1 [O-]C(=O)CNC 1P003UUQ [1,1,0,0,0,0|0,0,1]=3 1698 B5R0.1 [O-]C(=O)C[N+]#[C-] 1P00EM2K [1,1,0,0,0,0|0,0,2]=4 1699 B5R0.1 [O-]S(=O)CCC 1P01BCHD [1,1,0,0,0,0|1,0,1]=4 1700 B5R0.1 [O-]S(=O)CCCl 1P01C8MB [1,1,0,0,0,0|1,0,1]=4 1701 B5R0.1 [O-]S(=O)CCF 1P01C8Q9 [1,1,0,0,0,0|1,0,1]=4 1702 B5R0.1 [O-]S(=O)CCO 1P02922D [1,1,0,0,0,0|1,0,1]=4 1703 B5R0.1 [O-][N+](=O)CCBr 1P01BGOF [1,1,0,0,0,0|1,0,1]=4 1704 B5R0.1 [S-]C(=S)OCC 1P001CEY [1,1,0,0,0,0|0,2,0]=4 1705 B5R0.1 [S-]C(=S)OCC 1P0038R8 [1,1,0,0,0,0|0,2,0]=4 1706 B5R0.3 *CC(=O)O* 1P007NAW [1,1,0,0,0,0|1,0,0]=3 1707 B5R0.3 BrCC(=O)CBr 1P00521Z [1,1,0,0,0,0|2,0,0]=4 1708 B5R0.3 BrCC(CBr)O 1P003DZO [1,1,0,0,0,0|1,0,1]=4 1709 B5R0.3 C=CC(C=C)O 1P0060YF [1,1,0,0,0,0|1,0,1]=4 1710 B5R0.3 CC(=NO)SC 1P0013UL [1,1,0,0,0,0|2,0,0]=4 1711 B5R0.3 CC(C#C)OC 1P002HGK [1,1,0,0,0,0|1,0,1]=4 1712 B5R0.3 CC(C#N)C=C 1P001WIT [1,1,0,0,0,0|2,0,0]=4 1713 B5R0.3 CC(C#N)OC 1P00D1W9 [1,1,0,0,0,0|1,0,1]=4 1714 B5R0.3 CC(C#N)ON 1P01DVX6 [1,1,0,0,0,0|1,0,1]=4 1715 B5R0.3 CC(C=C)CBr 1P00CN82 [1,1,0,0,0,0|2,0,0]=4 1716 B5R0.3 CC(C=C)CN 1P028SHC [1,1,0,0,0,0|2,0,0]=4 1717 B5R0.3 CC(C=C)CO 1P003I34 [1,1,0,0,0,0|1,0,0]=3 1718 B5R0.3 CC(C=C)NC 1P01AGSD [1,1,0,0,0,0|2,0,0]=4 1719 B5R0.3 CC(C=C)ON 1P00FD3J [1,1,0,0,0,0|1,0,0]=3 1720 B5R0.3 CC(C=O)OC 1P00F3OH [1,1,0,0,0,0|0,0,0]=2 1721 B5R0.3 CC(NC)CO 1P002USE [1,1,0,0,0,0|1,0,1]=4 1722 B5R0.3 CC(OC)CBr 1P01A6K3 [1,1,0,0,0,0|1,0,1]=4 1723 B5R0.3 CC(OC)CI 1P01BE8C [1,1,0,0,0,0|1,0,1]=4 1724 B5R0.3 CC(OC)CN 1P00FGE1 [1,1,0,0,0,0|1,0,1]=4 1725 B5R0.3 CC(OC)CO 1P001RGP [1,1,0,0,0,0|0,0,1]=3 1726 B5R0.3 CC(OC)CS 1P0280JM [1,1,0,0,0,0|0,1,1]=4 1727 B5R0.3 CC(ON)CC 1P01A559 [1,1,0,0,0,0|1,0,1]=4 1728 B5R0.3 CC(SC)CO 1P002A2F [1,1,0,0,0,0|0,1,1]=4 1729 B5R0.3 CCC(=C)C#N 1P00AZFX [1,1,0,0,0,0|2,0,0]=4 1730 B5R0.3 CCC(=C)C=O 1P0033RD [1,1,0,0,0,0|1,0,0]=3 1731 B5R0.3 CCC(=C)CBr 1P00ERJN [1,1,0,0,0,0|2,0,0]=4 1732 B5R0.3 CCC(=C)CC 1P003HND [1,1,0,0,0,0|2,0,0]=4 1733 B5R0.3 CCC(=C)CN 1P00J3CC [1,1,0,0,0,0|2,0,0]=4 1734 B5R0.3 CCC(=C)CO 1P019TC3 [1,1,0,0,0,0|1,0,0]=3 1735 B5R0.3 CCC(=N)NC 1P0281D2 [1,1,0,0,0,0|2,0,0]=4 1736 B5R0.3 CCC(=N)NO 1P002YKL [1,1,0,0,0,0|1,0,0]=3 1737 B5R0.3 CCC(=NO)N 1P00J3M4 [1,1,0,0,0,0|1,0,0]=3 1738 B5R0.3 CCC(=O)C#C 1P001VIE [1,1,0,0,0,0|1,0,0]=3 1739 B5R0.3 CCC(=O)C=C 1P001TZW [1,1,0,0,0,0|1,0,0]=3 1740 B5R0.3 CCC(=O)CC 1P003KBG [1,1,0,0,0,0|1,0,0]=3 1741 B5R0.3 CCC(=O)CCl 1P00E9KQ [1,1,0,0,0,0|1,0,0]=3 1742 B5R0.3 CCC(=O)CN 1P007UM4 [1,1,0,0,0,0|1,0,0]=3 1743 B5R0.3 CCC(=O)CO 1P00DBTG [1,1,0,0,0,0|0,0,0]=2 1744 B5R0.3 CCC(=O)NC 1P003TP5 [1,1,0,0,0,0|1,0,0]=3 1745 B5R0.3 CCC(=O)NN 1P0035ZK [1,1,0,0,0,0|1,0,0]=3 1746 B5R0.3 CCC(=O)NO 1P00BVXV [1,1,0,0,0,0|0,0,0]=2 1747 B5R0.3 CCC(=O)OC 1P0035PP [1,1,0,0,0,0|0,0,0]=2 1748 B5R0.3 CCC(=S)OC 1P002TUB [1,1,0,0,0,0|0,1,0]=3 1749 B5R0.3 CCC(C#C)O 1P003F22 [1,1,0,0,0,0|1,0,1]=4 1750 B5R0.3 CCC(C#N)O 1P00DEE8 [1,1,0,0,0,0|1,0,1]=4 1751 B5R0.3 CCC(CBr)O 1P002Q0C [1,1,0,0,0,0|1,0,1]=4 1752 B5R0.3 CCC(CC)O 1P003KBF [1,1,0,0,0,0|1,0,1]=4 1753 B5R0.3 CCC(CCl)O 1P00AYVS [1,1,0,0,0,0|1,0,1]=4 1754 B5R0.3 CCC(CI)O 1P000N6V [1,1,0,0,0,0|1,0,1]=4 1755 B5R0.3 CCC(CN)O 1P003EEI [1,1,0,0,0,0|1,0,1]=4 1756 B5R0.3 CCC(CO)Br 1P006XVW [1,1,0,0,0,0|1,0,1]=4 1757 B5R0.3 CCC(CO)C 1P001351 [1,1,0,0,0,0|1,0,1]=4 1758 B5R0.3 CCC(CO)Cl 1P01AMF6 [1,1,0,0,0,0|1,0,1]=4 1759 B5R0.3 CCC(CO)N 1P003GSS [1,1,0,0,0,0|1,0,1]=4 1760 B5R0.3 CCC(CO)O 1P003BGJ [1,1,0,0,0,0|0,0,1]=3 1761 B5R0.3 CCC(CS)O 1P01BIJJ [1,1,0,0,0,0|0,1,1]=4 1762 B5R0.3 CCC(OC)C 1P003UOY [1,1,0,0,0,0|1,0,1]=4 1763 B5R0.3 CCN(CC)O 1P0035RT [1,1,0,0,0,0|2,0,0]=4 1764 B5R0.3 CCP(=O)CC 1P00357C [1,1,0,0,0,0|2,0,0]=4 1765 B5R0.3 CCS(=O)CC 1P006ANF [1,1,0,0,0,0|2,0,0]=4 1766 B5R0.3 CC[C@@H](CN)O 1P01B9RT [1,1,0,0,0,0|1,0,1]=4 1767 B5R0.3 CC[C@@H](CO)C 1P001P8L [1,1,0,0,0,0|1,0,1]=4 1768 B5R0.3 CC[C@@H](CO)N 1P003CWW [1,1,0,0,0,0|1,0,1]=4 1769 B5R0.3 CC[C@@H](CO)O 1P003709 [1,1,0,0,0,0|0,0,1]=3 1770 B5R0.3 CC[C@H](CBr)O 1P0292ZO [1,1,0,0,0,0|1,0,1]=4 1771 B5R0.3 CC[C@H](CN)O 1P00J2QC [1,1,0,0,0,0|1,0,1]=4 1772 B5R0.3 CC[C@H](CO)C 1P00EBJG [1,1,0,0,0,0|1,0,1]=4 1773 B5R0.3 CC[C@H](CO)N 1P0032U5 [1,1,0,0,0,0|1,0,1]=4 1774 B5R0.3 CC[C@H](CO)O 1P00I8DI [1,1,0,0,0,0|0,0,1]=3 1775 B5R0.3 CC\C(=C\C)\Br 1P028YNB [1,1,0,0,0,0|2,0,0]=4 1776 B5R0.3 CC\C(=N\O)\N 1P00J2ED [1,1,0,0,0,0|1,0,0]=3 1777 B5R0.3 CN(C=O)CC 1P002XCI [1,1,0,0,0,0|2,0,0]=4 1778 B5R0.3 CN(C=O)OC 1P00CLC1 [1,1,0,0,0,0|1,0,0]=3 1779 B5R0.3 CNC(=O)C#C 1P00K7GW [1,1,0,0,0,0|2,0,0]=4 1780 B5R0.3 CNC(=O)C=C 1P00HF69 [1,1,0,0,0,0|2,0,0]=4 1781 B5R0.3 CNC(=O)CBr 1P007DCA [1,1,0,0,0,0|2,0,0]=4 1782 B5R0.3 CNC(=O)CCl 1P0033Q7 [1,1,0,0,0,0|2,0,0]=4 1783 B5R0.3 CNC(=O)CI 1P028JQB [1,1,0,0,0,0|2,0,0]=4 1784 B5R0.3 CNC(=O)CN 1P0037VQ [1,1,0,0,0,0|2,0,0]=4 1785 B5R0.3 CNC(=O)CN 1P0039JP [1,1,0,0,0,0|2,0,0]=4 1786 B5R0.3 CNC(=O)CO 1P00DD9R [1,1,0,0,0,0|1,0,0]=3 1787 B5R0.3 CNC(=O)CS 1P002KO6 [1,1,0,0,0,0|1,1,0]=4 1788 B5R0.3 CNC(=O)NN 1P0025HY [1,1,0,0,0,0|2,0,0]=4 1789 B5R0.3 CNC(=O)OC 1P00FAMH [1,1,0,0,0,0|1,0,0]=3 1790 B5R0.3 COC(=N)CCl 1P003S44 [1,1,0,0,0,0|2,0,0]=4 1791 B5R0.3 COC(=O)C#C 1P0035ZM [1,1,0,0,0,0|0,0,2]=4 1792 B5R0.3 COC(=O)C#N 1P002549 [1,1,0,0,0,0|1,0,1]=4 1793 B5R0.3 COC(=O)C=C 1P0038Z5 [1,1,0,0,0,0|0,0,2]=4 1794 B5R0.3 COC(=O)C=O 1P019DOT [1,1,0,0,0,0|0,0,2]=4 1795 B5R0.3 COC(=O)CBr 1P0035PA [1,1,0,0,0,0|1,0,0]=3 1796 B5R0.3 COC(=O)CI 1P00VVO6 [1,1,0,0,0,0|1,0,0]=3 1797 B5R0.3 COC(=O)CN 1P0035FQ [1,1,0,0,0,0|1,0,0]=3 1798 B5R0.3 COC(=O)CO 1P0035PJ [1,1,0,0,0,0|0,0,0]=2 1799 B5R0.3 COC(=O)CS 1P002OI0 [1,1,0,0,0,0|0,1,0]=3 1800 B5R0.3 COC(=O)NN 1P003P5S [1,1,0,0,0,0|2,0,0]=4 1801 B5R0.3 COC(=O)OC 1P00357R [1,1,0,0,0,0|1,0,0]=3 1802 B5R0.3 COC(=O)SCl 1P002U4T [1,1,0,0,0,0|1,1,0]=4 1803 B5R0.3 COC(=S)SC 1P00ASGB [1,1,0,0,0,0|1,1,0]=4 1804 B5R0.3 COC(OC)C 1P003DPC [1,1,0,0,0,0|2,0,0]=4 1805 B5R0.3 COS(=O)OC 1P00IKXI [1,1,0,0,0,0|2,0,0]=4 1806 B5R0.3 CSC(=O)CCl 1P028VR9 [1,1,0,0,0,0|1,1,0]=4 1807 B5R0.3 CSC(=O)SC 1P003UMZ [1,1,0,0,0,0|1,1,0]=4 1808 B5R0.3 C[C@@H](C#C)OC 1P01XFN7 [1,1,0,0,0,0|1,0,1]=4 1809 B5R0.3 C[C@@H](NC)CO 1P01B9ZG [1,1,0,0,0,0|1,0,1]=4 1810 B5R0.3 C[C@@H](NC)CO 1P01BA5X [1,1,0,0,0,0|1,0,1]=4 1811 B5R0.3 C[C@@H](OC)CN 1P00ACLI [1,1,0,0,0,0|1,0,1]=4 1812 B5R0.3 C[C@@H](OC)CN 1P00GV5Q [1,1,0,0,0,0|1,0,1]=4 1813 B5R0.3 C[C@@H](OC)CO 1P0037UW [1,1,0,0,0,0|0,0,1]=3 1814 B5R0.3 C[C@@H](OC)CS 1P028LJS [1,1,0,0,0,0|0,1,1]=4 1815 B5R0.3 C[C@H](NC)CO 1P01B9S4 [1,1,0,0,0,0|1,0,1]=4 1816 B5R0.3 C[C@H](NC)CO 1P01B9VN [1,1,0,0,0,0|1,0,1]=4 1817 B5R0.3 C[C@H](OC)CN 1P00GV5R [1,1,0,0,0,0|1,0,1]=4 1818 B5R0.3 C[C@H](OC)CN 1P00GV5S [1,1,0,0,0,0|1,0,1]=4 1819 B5R0.3 C[C@H](OC)CO 1P000CX7 [1,1,0,0,0,0|0,0,1]=3 1820 B5R0.3 C[C@H](OC)CS 1P0280S0 [1,1,0,0,0,0|0,1,1]=4 1821 B5R0.3 C\C=C(\C=O)/Br 1P01G991 [1,1,0,0,0,0|1,0,1]=4 1822 B5R0.3 C\C=C(\C=O)/C 1P00366D [1,1,0,0,0,0|1,0,1]=4 1823 B5R0.3 C\C=C(\C=O)/Cl 1P002R15 [1,1,0,0,0,0|1,0,1]=4 1824 B5R0.3 ClC(C=C)CCl 1P003IWJ [1,1,0,0,0,0|2,0,0]=4 1825 B5R0.3 ClCC(=O)C=C 1P006UR2 [1,1,0,0,0,0|2,0,0]=4 1826 B5R0.3 ClCC(=O)CCl 1P00DTUY [1,1,0,0,0,0|2,0,0]=4 1827 B5R0.3 ClCC(CCl)O 1P003DZY [1,1,0,0,0,0|1,0,1]=4 1828 B5R0.3 ClC[C@@H](CI)O 1P01JUXC [1,1,0,0,0,0|1,0,1]=4 1829 B5R0.3 FCC(CBr)O 1P00C2KE [1,1,0,0,0,0|1,0,1]=4 1830 B5R0.3 FCC(CF)O 1P003E0C [1,1,0,0,0,0|1,0,1]=4 1831 B5R0.3 FC[C@@H](CCl)O 1P002ELU [1,1,0,0,0,0|1,0,1]=4 1832 B5R0.3 FC[C@H](CCl)O 1P0280YH [1,1,0,0,0,0|1,0,1]=4 1833 B5R0.3 NC(=NO)CCl 1P007JEW [1,1,0,0,0,0|2,0,0]=4 1834 B5R0.3 NC(C=C)CO 1P01BCLD [1,1,0,0,0,0|2,0,0]=4 1835 B5R0.3 NC=C(C=O)C 1P0032BD [1,1,0,0,0,0|1,0,1]=4 1836 B5R0.3 NCC(=C)CO 1P01B38X [1,1,0,0,0,0|2,0,0]=4 1837 B5R0.3 NCC(=NO)N 1P0285PB [1,1,0,0,0,0|2,0,0]=4 1838 B5R0.3 NCC(=O)CCl 1P027VFF [1,1,0,0,0,0|2,0,0]=4 1839 B5R0.3 NCC(=O)CN 1P00EE76 [1,1,0,0,0,0|2,0,0]=4 1840 B5R0.3 NCC(=O)NN 1P028IE3 [1,1,0,0,0,0|2,0,0]=4 1841 B5R0.3 NCC(=O)NO 1P00DG4H [1,1,0,0,0,0|1,0,0]=3 1842 B5R0.3 NCC(C#C)O 1P02894Y [1,1,0,0,0,0|1,0,1]=4 1843 B5R0.3 NCC(C=C)F 1P028UOK [1,1,0,0,0,0|2,0,0]=4 1844 B5R0.3 NCC(C=C)O 1P0011H6 [1,1,0,0,0,0|1,0,0]=3 1845 B5R0.3 NCC(C=C)O 1P027VLI [1,1,0,0,0,0|1,0,0]=3 1846 B5R0.3 NCC(CCl)O 1P0037I9 [1,1,0,0,0,0|1,0,1]=4 1847 B5R0.3 NCC(CF)O 1P019GLG [1,1,0,0,0,0|1,0,1]=4 1848 B5R0.3 NCC(CN)O 1P00IBCX [1,1,0,0,0,0|1,0,1]=4 1849 B5R0.3 NCC(CO)C 1P001O5X [1,1,0,0,0,0|1,0,1]=4 1850 B5R0.3 NCC(CO)C 1P006JX9 [1,1,0,0,0,0|1,0,1]=4 1851 B5R0.3 NCC(CO)F 1P0053A7 [1,1,0,0,0,0|1,0,1]=4 1852 B5R0.3 NCC(CO)F 1P021X21 [1,1,0,0,0,0|1,0,1]=4 1853 B5R0.3 NCC(CO)N 1P01AG38 [1,1,0,0,0,0|1,0,1]=4 1854 B5R0.3 NCC(CO)O 1P0032RQ [1,1,0,0,0,0|0,0,1]=3 1855 B5R0.3 NC[C@@H](CCl)O 1P00BY10 [1,1,0,0,0,0|1,0,1]=4 1856 B5R0.3 NC[C@@H](CO)C 1P00IFOF [1,1,0,0,0,0|1,0,1]=4 1857 B5R0.3 NC[C@@H](CO)F 1P00ILF4 [1,1,0,0,0,0|1,0,1]=4 1858 B5R0.3 NC[C@@H](CO)F 1P023OS0 [1,1,0,0,0,0|1,0,1]=4 1859 B5R0.3 NC[C@@H](CO)N 1P01A5TP [1,1,0,0,0,0|1,0,1]=4 1860 B5R0.3 NC[C@@H](CO)O 1P002KW4 [1,1,0,0,0,0|0,0,1]=3 1861 B5R0.3 NC[C@@H](CO)O 1P003VXC [1,1,0,0,0,0|0,0,1]=3 1862 B5R0.3 NC[C@H](CCl)O 1P00CNP3 [1,1,0,0,0,0|1,0,1]=4 1863 B5R0.3 NC[C@H](CO)C 1P007F3A [1,1,0,0,0,0|1,0,1]=4 1864 B5R0.3 NC[C@H](CO)C 1P028ZRU [1,1,0,0,0,0|1,0,1]=4 1865 B5R0.3 NC[C@H](CO)F 1P00ILHM [1,1,0,0,0,0|1,0,1]=4 1866 B5R0.3 NC[C@H](CO)N 1P01A7EX [1,1,0,0,0,0|1,0,1]=4 1867 B5R0.3 NC[C@H](CO)O 1P003CQ6 [1,1,0,0,0,0|0,0,1]=3 1868 B5R0.3 NNC(=O)CCl 1P004ISM [1,1,0,0,0,0|2,0,0]=4 1869 B5R0.3 NNC(=O)CO 1P007E6R [1,1,0,0,0,0|1,0,0]=3 1870 B5R0.3 NNC(=O)CS 1P008P7E [1,1,0,0,0,0|1,1,0]=4 1871 B5R0.3 NNC(=O)NO 1P00BDMA [1,1,0,0,0,0|2,0,0]=4 1872 B5R0.3 NNC(C=C)C 1P02829N [1,1,0,0,0,0|2,0,0]=4 1873 B5R0.3 N[C@@H](C=C)CO 1P00BDW2 [1,1,0,0,0,0|2,0,0]=4 1874 B5R0.3 N[C@H](C=C)CO 1P00C07G [1,1,0,0,0,0|2,0,0]=4 1875 B5R0.3 O=CC(C=O)Br 1P0033N9 [1,1,0,0,0,0|1,0,1]=4 1876 B5R0.3 O=CC(C=O)Cl 1P0033Q1 [1,1,0,0,0,0|1,0,1]=4 1877 B5R0.3 O=CC(C=O)I 1P01B7DY [1,1,0,0,0,0|1,0,1]=4 1878 B5R0.3 O=CN(C=O)C 1P0023PU [1,1,0,0,0,0|1,0,1]=4 1879 B5R0.3 OC(C#N)C=C 1P00EYWW [1,1,0,0,0,0|1,0,1]=4 1880 B5R0.3 OC(C=C)CBr 1P00EDOK [1,1,0,0,0,0|1,0,0]=3 1881 B5R0.3 OC(C=C)CO 1P003374 [1,1,0,0,0,0|1,0,0]=3 1882 B5R0.3 OCC(=C)C#N 1P00K6CW [1,1,0,0,0,0|2,0,0]=4 1883 B5R0.3 OCC(=C)CBr 1P01ADNH [1,1,0,0,0,0|2,0,0]=4 1884 B5R0.3 OCC(=C)CF 1P028BX1 [1,1,0,0,0,0|2,0,0]=4 1885 B5R0.3 OCC(=C)CO 1P0036EB [1,1,0,0,0,0|1,0,0]=3 1886 B5R0.3 OCC(=CI)I 1P028VSN [1,1,0,0,0,0|2,0,0]=4 1887 B5R0.3 OCC(=N)NO 1P005CBZ [1,1,0,0,0,0|1,0,0]=3 1888 B5R0.3 OCC(=O)CO 1P00332C [1,1,0,0,0,0|0,0,0]=2 1889 B5R0.3 OCC(C=C)F 1P0283T0 [1,1,0,0,0,0|2,0,0]=4 1890 B5R0.3 OCC(C=O)O 1P00BEK0 [1,1,0,0,0,0|0,0,0]=2 1891 B5R0.3 OCC(CBr)Br 1P006T5M [1,1,0,0,0,0|1,0,1]=4 1892 B5R0.3 OCC(CBr)C 1P0075IM [1,1,0,0,0,0|1,0,1]=4 1893 B5R0.3 OCC(CBr)F 1P01E7KF [1,1,0,0,0,0|1,0,1]=4 1894 B5R0.3 OCC(CBr)O 1P00DF5A [1,1,0,0,0,0|0,0,1]=3 1895 B5R0.3 OCC(CCl)Cl 1P003FXP [1,1,0,0,0,0|1,0,1]=4 1896 B5R0.3 OCC(CCl)O 1P0036LI [1,1,0,0,0,0|0,0,1]=3 1897 B5R0.3 OCC(CF)F 1P01PCWA [1,1,0,0,0,0|1,0,1]=4 1898 B5R0.3 OCC(CO)C 1P003I1Q [1,1,0,0,0,0|0,0,1]=3 1899 B5R0.3 OCC(CO)Cl 1P00DFIC [1,1,0,0,0,0|1,0,1]=4 1900 B5R0.3 OCC(CO)N 1P0033JG [1,1,0,0,0,0|1,0,1]=4 1901 B5R0.3 OCC(CO)N 1P003UPC [1,1,0,0,0,0|1,0,1]=4 1902 B5R0.3 OCC(CO)O 1P002TPL [1,1,0,0,0,0|0,0,1]=3 1903 B5R0.3 OCC(CO)O 1P0035FJ [1,1,0,0,0,0|0,0,1]=3 1904 B5R0.3 OCC(CO)O 1P00GV8Q [1,1,0,0,0,0|0,0,1]=3 1905 B5R0.3 OCC(CS)C 1P019SMR [1,1,0,0,0,0|0,1,1]=4 1906 B5R0.3 OCC(CS)O 1P006SH0 [1,1,0,0,0,0|0,0,1]=3 1907 B5R0.3 OCC(CS)S 1P003FZZ [1,1,0,0,0,0|0,1,1]=4 1908 B5R0.3 OCC(NN)C 1P00J08R [1,1,0,0,0,0|1,0,1]=4 1909 B5R0.3 OC[C@@H](CBr)C 1P003CXU [1,1,0,0,0,0|1,0,1]=4 1910 B5R0.3 OC[C@@H](CBr)O 1P0013UE [1,1,0,0,0,0|0,0,1]=3 1911 B5R0.3 OC[C@@H](CCl)O 1P00IB7Z [1,1,0,0,0,0|0,0,1]=3 1912 B5R0.3 OC[C@@H](CF)N 1P02032H [1,1,0,0,0,0|1,0,1]=4 1913 B5R0.3 OC[C@@H](CF)O 1P00I73B [1,1,0,0,0,0|0,0,1]=3 1914 B5R0.3 OC[C@@H](CS)O 1P008RHS [1,1,0,0,0,0|0,0,1]=3 1915 B5R0.3 OC[C@H](CBr)C 1P003CKN [1,1,0,0,0,0|1,0,1]=4 1916 B5R0.3 OC[C@H](CBr)O 1P001JW1 [1,1,0,0,0,0|0,0,1]=3 1917 B5R0.3 OC[C@H](CCl)O 1P003CJQ [1,1,0,0,0,0|0,0,1]=3 1918 B5R0.3 OC[C@H](CF)N 1P02032G [1,1,0,0,0,0|1,0,1]=4 1919 B5R0.3 OC[C@H](CF)O 1P00D1EW [1,1,0,0,0,0|0,0,1]=3 1920 B5R0.3 OC[C@H](CS)O 1P001VNE [1,1,0,0,0,0|0,0,1]=3 1921 B5R0.3 OC\C(=C/I)\I 1P0282I3 [1,1,0,0,0,0|2,0,0]=4 1922 B5R0.3 OC\C(=N\O)\N 1P00J374 [1,1,0,0,0,0|1,0,0]=3 1923 B5R0.3 ONC(=O)C=C 1P001VY0 [1,1,0,0,0,0|0,0,2]=4 1924 B5R0.3 O[C@@H](C=C)CO 1P0032XQ [1,1,0,0,0,0|1,0,0]=3 1925 B5R0.3 O[C@@H](C=O)CO 1P003POB [1,1,0,0,0,0|0,0,0]=2 1926 B5R0.3 O[C@H](C=O)CO 1P00DEET [1,1,0,0,0,0|0,0,0]=2 1927 B5R0.3 [Na]OC(=O)C=C 1P003A2G [1,1,0,0,0,0|0,0,2]=4 1928 B5R0.4 BrCC(O)(C)C 1P0039NU [1,1,0,0,0,0|1,0,1]=4 1929 B5R0.4 BrCP(=O)(O)O 1P01BBGE [1,1,0,0,0,0|2,0,0]=4 1930 B5R0.4 C#CC(O)(C)C 1P0038E2 [1,1,0,0,0,0|1,0,1]=4 1931 B5R0.4 C=CC(C)(C)C 1P003ITT [1,1,0,0,0,0|2,0,0]=4 1932 B5R0.4 C=CC(N)(C)C 1P01EMG2 [1,1,0,0,0,0|2,0,0]=4 1933 B5R0.4 C=CC(O)(C)C 1P000G0L [1,1,0,0,0,0|1,0,0]=3 1934 B5R0.4 CCC(O)(C)C 1P001DZE [1,1,0,0,0,0|1,0,1]=4 1935 B5R0.4 CCC(O)(C)C 1P0033UL [1,1,0,0,0,0|1,0,1]=4 1936 B5R0.4 CCP(=O)(O)O 1P003R06 [1,1,0,0,0,0|1,0,0]=3 1937 B5R0.4 CCS(=O)(=N)C 1P00J0QH [1,1,0,0,0,0|2,0,0]=4 1938 B5R0.4 CCS(=O)(=N)N 1P020KM8 [1,1,0,0,0,0|2,0,0]=4 1939 B5R0.4 CCS(=O)(=N)N 1P028125 [1,1,0,0,0,0|2,0,0]=4 1940 B5R0.4 CCS(=O)(=O)Br 1P028ALL [1,1,0,0,0,0|1,0,1]=4 1941 B5R0.4 CCS(=O)(=O)C 1P0035D6 [1,1,0,0,0,0|1,0,1]=4 1942 B5R0.4 CCS(=O)(=O)Cl 1P0035DZ [1,1,0,0,0,0|1,0,1]=4 1943 B5R0.4 CCS(=O)(=O)F 1P005CD0 [1,1,0,0,0,0|1,0,1]=4 1944 B5R0.4 CCS(=O)(=O)N 1P0035A7 [1,1,0,0,0,0|1,0,1]=4 1945 B5R0.4 CCS(=O)(=O)O 1P0035A8 [1,1,0,0,0,0|1,0,0]=3 1946 B5R0.4 CCS(=O)(=O)[O-] 1P003QF5 [1,1,0,0,0,0|1,0,1]=4 1947 B5R0.4 CNS(=O)(=O)O 1P003SL1 [1,1,0,0,0,0|2,0,0]=4 1948 B5R0.4 COS(=O)(=O)O 1P00DAB2 [1,1,0,0,0,0|2,0,0]=4 1949 B5R0.4 ClCC(O)(C)C 1P00337C [1,1,0,0,0,0|1,0,1]=4 1950 B5R0.4 ClCP(=O)(O)O 1P00387A [1,1,0,0,0,0|2,0,0]=4 1951 B5R0.4 FCC(O)(C)C 1P01EC41 [1,1,0,0,0,0|1,0,1]=4 1952 B5R0.4 ICC(O)(C)C 1P00BV3U [1,1,0,0,0,0|1,0,1]=4 1953 B5R0.4 NCC(O)(C)C 1P002W4M [1,1,0,0,0,0|1,0,1]=4 1954 B5R0.4 NCP(=O)(O)O 1P003CG3 [1,1,0,0,0,0|2,0,0]=4 1955 B5R0.4 NCS(=O)(=O)O 1P001A3A [1,1,0,0,0,0|2,0,0]=4 1956 B5R0.4 O=CC(Br)(Br)Br 1P000G0M [1,1,0,0,0,0|2,0,0]=4 1957 B5R0.4 O=CC(Br)(C)C 1P0010LR [1,1,0,0,0,0|1,0,0]=3 1958 B5R0.4 O=CC(C)(C)C 1P00367Z [1,1,0,0,0,0|1,0,0]=3 1959 B5R0.4 O=CC(F)(F)F 1P00C7W8 [1,1,0,0,0,0|2,0,0]=4 1960 B5R0.4 O=NC(C)(C)C 1P003V2S [1,1,0,0,0,0|2,0,0]=4 1961 B5R0.4 OCC(Br)(C)C 1P01ANW5 [1,1,0,0,0,0|1,0,1]=4 1962 B5R0.4 OCC(C)(C)C 1P003TFF [1,1,0,0,0,0|1,0,1]=4 1963 B5R0.4 OCC(F)(C)C 1P0032KV [1,1,0,0,0,0|1,0,1]=4 1964 B5R0.4 OCC(F)(F)C 1P003FRM [1,1,0,0,0,0|1,0,1]=4 1965 B5R0.4 OCC(N)(C)C 1P0033JI [1,1,0,0,0,0|1,0,1]=4 1966 B5R0.4 OCC(N)(C)C 1P003ABP [1,1,0,0,0,0|1,0,1]=4 1967 B5R0.4 OCC(O)(C)C 1P0033V2 [1,1,0,0,0,0|0,0,1]=3 1968 B5R0.4 OCC(S)(C)C 1P00FI08 [1,1,0,0,0,0|0,1,1]=4 1969 B5R0.4 OCS(=O)(=O)[O-] 1P003R5A [1,1,0,0,0,0|1,0,1]=4 1970 B5R0.4 ONC(C)(C)C 1P001X84 [1,1,0,0,0,0|2,0,0]=4 1971 B5R0.4 ONC(C)(C)C 1P0035VQ [1,1,0,0,0,0|2,0,0]=4 1972 B5R0.4 ONC(C)(C)C 1P003SWA [1,1,0,0,0,0|2,0,0]=4 1973 B5R0.4 OOC(C)(C)C 1P0059OU [1,1,0,0,0,0|2,0,0]=4 1974 B5R0.4 SCC(O)(C)C 1P001ME2 [1,1,0,0,0,0|0,1,1]=4 1975 B5R0.4 [O-]S(=S)(=O)CC 1P003UVU [1,1,0,0,0,0|1,0,1]=4 1976 B7R0.2 *C(OC(=O)C)C* 1P003UAU [0,1,0,0,0,1|2,0,0]=4 1977 B7R0.2 BrCC(=O)NC(C)C 1P0038WV [0,1,0,0,0,1|2,0,0]=4 1978 B7R0.2 BrCC(=O)OC(C)C 1P003RLF [0,1,0,0,0,1|2,0,0]=4 1979 B7R0.2 C=CC(=O)NC(C)C 1P003TLD [0,1,0,0,0,1|2,0,0]=4 1980 B7R0.2 C=CC(=O)OC(C)C 1P00FCDR [0,1,0,0,0,1|2,0,0]=4 1981 B7R0.2 CC(=C=C)CC(=O)O 1P028EHI [0,1,0,0,0,1|1,0,1]=4 1982 B7R0.2 CC(=O)OC(CBr)Br 1P007NQ4 [0,1,0,0,0,1|2,0,0]=4 1983 B7R0.2 CC(C#N)CC(=O)C 1P00D1CU [0,1,0,0,0,1|2,0,0]=4 1984 B7R0.2 CC(C#N)CC(=O)O 1P01B8RV [0,1,0,0,0,1|1,0,0]=3 1985 B7R0.2 CC(C#N)NC(=O)N 1P01BAS1 [0,1,0,0,0,1|2,0,0]=4 1986 B7R0.2 CC(C=C)CC(=O)O 1P002H0Z [0,1,0,0,0,1|1,0,0]=3 1987 B7R0.2 CC(C=C)OC(=O)C 1P003JM8 [0,1,0,0,0,1|2,0,0]=4 1988 B7R0.2 CC(CC(=NO)N)C 1P019XUL [0,1,0,0,0,1|2,0,0]=4 1989 B7R0.2 CC(CC(=O)CN)Cl 1P01BI4J [0,1,0,0,0,1|2,0,0]=4 1990 B7R0.2 CC(CC(=O)NN)O 1P002OWV [0,1,0,0,0,1|1,0,0]=3 1991 B7R0.2 CC(CC)CC(=O)O 1P00359B [0,1,0,0,0,1|1,0,0]=3 1992 B7R0.2 CC(CF)CC(=O)O 1P01SVBB [0,1,0,0,0,1|1,0,0]=3 1993 B7R0.2 CC(CN)CC(=O)O 1P01A0Y2 [0,1,0,0,0,1|1,0,0]=3 1994 B7R0.2 CC(NC(=O)C)CCl 1P01C49W [0,1,0,0,0,1|2,0,0]=4 1995 B7R0.2 CC(NC(=O)N)CC 1P00ICCE [0,1,0,0,0,1|2,0,0]=4 1996 B7R0.2 CC(NC)CC(=O)N 1P00J30L [0,1,0,0,0,1|2,0,0]=4 1997 B7R0.2 CC(NC)CC(=O)O 1P001XOH [0,1,0,0,0,1|1,0,0]=3 1998 B7R0.2 CC(OC(=O)C#C)C 1P005W1X [0,1,0,0,0,1|2,0,0]=4 1999 B7R0.2 CC(OC(=O)Cl)CC 1P0020AG [0,1,0,0,0,1|2,0,0]=4 2000 B7R0.2 CC(OC)CC(=N)N 1P0286E7 [0,1,0,0,0,1|2,0,0]=4 2001 B7R0.2 CC(OC)CC(=O)O 1P0001T2 [0,1,0,0,0,1|0,0,0]=2 2002 B7R0.2 CC(SC)CC(=O)O 1P00B61I [0,1,0,0,0,1|0,1,0]=3 2003 B7R0.2 CCC(=O)CC(C)C 1P003NCQ [0,1,0,0,0,1|2,0,0]=4 2004 B7R0.2 CCC(CC(=O)C)C 1P0038PR [0,1,0,0,0,1|2,0,0]=4 2005 B7R0.2 CCC(CC(=O)O)N 1P003ANY [0,1,0,0,0,1|1,0,0]=3 2006 B7R0.2 CCC(CC(=O)O)N 1P00AQ4O [0,1,0,0,0,1|1,0,0]=3 2007 B7R0.2 CCC(CC(=O)O)O 1P0007RC [0,1,0,0,0,1|0,0,0]=2 2008 B7R0.2 CCS(=O)CC(=O)O 1P00EEBB [0,1,0,0,0,1|1,0,1]=4 2009 B7R0.2 CC[C@@H](CC(=O)O)N 1P001J1T [0,1,0,0,0,1|1,0,0]=3 2010 B7R0.2 CC[C@@H](CC(=O)O)N 1P01DTYS [0,1,0,0,0,1|1,0,0]=3 2011 B7R0.2 CC[C@@H](CC(=O)O)O 1P01EKL5 [0,1,0,0,0,1|0,0,0]=2 2012 B7R0.2 CC[C@H](CC(=O)O)N 1P00IJD7 [0,1,0,0,0,1|1,0,0]=3 2013 B7R0.2 CC[C@H](CC(=O)O)O 1P01EKMU [0,1,0,0,0,1|0,0,0]=2 2014 B7R0.2 CN(CC)CC(=O)O 1P003AQF [0,1,0,0,0,1|2,0,0]=4 2015 B7R0.2 CN(CC)CC(=O)O 1P028PG4 [0,1,0,0,0,1|2,0,0]=4 2016 B7R0.2 CNC(=O)CC(=O)O 1P00C9G5 [0,1,0,0,0,1|0,0,2]=4 2017 B7R0.2 CNC(=O)CC(N)C 1P01C1RO [0,1,0,0,0,1|2,0,0]=4 2018 B7R0.2 CNC(=O)C[C@H](O)C 1P027V34 [0,1,0,0,0,1|1,0,0]=3 2019 B7R0.2 COC(=N)CC(C)C 1P01BS5V [0,1,0,0,0,1|2,0,0]=4 2020 B7R0.2 COC(=O)C=C(C)C 1P003IU0 [0,1,0,0,0,1|1,0,1]=4 2021 B7R0.2 COC(=O)C=C(N)C 1P001I49 [0,1,0,0,0,1|1,0,1]=4 2022 B7R0.2 COC(=O)CC(=C)C 1P00BOHX [0,1,0,0,0,1|1,0,1]=4 2023 B7R0.2 COC(=O)CC(=O)C 1P003SFS [0,1,0,0,0,1|0,0,2]=4 2024 B7R0.2 COC(=O)CC(Br)C 1P007P3N [0,1,0,0,0,1|1,0,0]=3 2025 B7R0.2 COC(=O)CC(C)C 1P0035PM [0,1,0,0,0,1|1,0,0]=3 2026 B7R0.2 COC(=O)CC(F)C 1P028RKB [0,1,0,0,0,1|1,0,0]=3 2027 B7R0.2 COC(=O)CC(N)C 1P009Z7X [0,1,0,0,0,1|1,0,0]=3 2028 B7R0.2 COC(=O)CC(O)C 1P001LLF [0,1,0,0,0,1|0,0,0]=2 2029 B7R0.2 COC(=O)CC(S)C 1P00DGF5 [0,1,0,0,0,1|0,1,0]=3 2030 B7R0.2 COC(=O)CN(C)C 1P003T1V [0,1,0,0,0,1|2,0,0]=4 2031 B7R0.2 COC(=O)CS(=O)C 1P00E2WS [0,1,0,0,0,1|1,0,1]=4 2032 B7R0.2 COC(=O)C[C@@H](N)C 1P001B0R [0,1,0,0,0,1|1,0,0]=3 2033 B7R0.2 COC(=O)C[C@@H](O)C 1P003D49 [0,1,0,0,0,1|0,0,0]=2 2034 B7R0.2 COC(=O)C[C@H](F)C 1P01G18M [0,1,0,0,0,1|1,0,0]=3 2035 B7R0.2 COC(=O)C[C@H](N)C 1P001B0S [0,1,0,0,0,1|1,0,0]=3 2036 B7R0.2 COC(=O)C[C@H](N)C 1P008Y0A [0,1,0,0,0,1|1,0,0]=3 2037 B7R0.2 COC(=O)C[C@H](O)C 1P003RZI [0,1,0,0,0,1|0,0,0]=2 2038 B7R0.2 COC(=O)OC(Cl)C 1P01A6C2 [0,1,0,0,0,1|1,0,0]=3 2039 B7R0.2 COC(=O)SC(C)C 1P01XBN3 [0,1,0,0,0,1|1,0,0]=3 2040 B7R0.2 COC(=O)\C=C(\C)/[O-] 1P007HC6 [0,1,0,0,0,1|0,0,2]=4 2041 B7R0.2 COC(CC(O)C)C 1P00H37K [0,1,0,0,0,1|1,0,1]=4 2042 B7R0.2 CO\C(=C/C(=O)C)\C 1P00BW7O [0,1,0,0,0,1|1,0,1]=4 2043 B7R0.2 C[C@@H](C=C)CC(=O)O 1P005CDB [0,1,0,0,0,1|1,0,0]=3 2044 B7R0.2 C[C@@H](CC)CC(=O)O 1P007CFN [0,1,0,0,0,1|1,0,0]=3 2045 B7R0.2 C[C@H](CC)CC(=O)O 1P00AQ4A [0,1,0,0,0,1|1,0,0]=3 2046 B7R0.2 C[C@H](CN)CC(=O)O 1P01BS0C [0,1,0,0,0,1|1,0,0]=3 2047 B7R0.2 C\C(=C/C(=O)O)\CC 1P002C5I [0,1,0,0,0,1|1,0,1]=4 2048 B7R0.2 C\C(=C/C(=O)O)\CN 1P028ZWZ [0,1,0,0,0,1|1,0,1]=4 2049 B7R0.2 C\C(=C\C(=O)O)\C=C 1P01EMNE [0,1,0,0,0,1|1,0,1]=4 2050 B7R0.2 ClCC(=O)CC(C)C 1P00CLO7 [0,1,0,0,0,1|2,0,0]=4 2051 B7R0.2 ClCC(=O)NC(C)C 1P002XNF [0,1,0,0,0,1|2,0,0]=4 2052 B7R0.2 ClCC(=O)OC(C)C 1P003RLH [0,1,0,0,0,1|2,0,0]=4 2053 B7R0.2 ClCC(CC(=O)Cl)C 1P00IBOT [0,1,0,0,0,1|2,0,0]=4 2054 B7R0.2 ICC(=O)NC(C)C 1P003TLG [0,1,0,0,0,1|2,0,0]=4 2055 B7R0.2 NCC(=O)CC(C)C 1P007R1H [0,1,0,0,0,1|2,0,0]=4 2056 B7R0.2 NCC(=O)NC(C)C 1P00FDGN [0,1,0,0,0,1|2,0,0]=4 2057 B7R0.2 NCC(=O)NC(C)C 1P00IBC3 [0,1,0,0,0,1|2,0,0]=4 2058 B7R0.2 NCC(=O)OC(C)C 1P003REC [0,1,0,0,0,1|2,0,0]=4 2059 B7R0.2 NCC(CC(=O)O)N 1P01AIHR [0,1,0,0,0,1|1,0,0]=3 2060 B7R0.2 NCC(CC(=O)O)O 1P0036KT [0,1,0,0,0,1|0,0,0]=2 2061 B7R0.2 NC[C@@H](CC(=O)O)C 1P01C10F [0,1,0,0,0,1|1,0,0]=3 2062 B7R0.2 NC[C@@H](CC(=O)O)O 1P00FBR6 [0,1,0,0,0,1|0,0,0]=2 2063 B7R0.2 NC[C@H](CC(=O)O)O 1P0032WR [0,1,0,0,0,1|0,0,0]=2 2064 B7R0.2 NNC(=O)CC(C)C 1P007O9X [0,1,0,0,0,1|2,0,0]=4 2065 B7R0.2 NNC(=O)NC(C)C 1P00F225 [0,1,0,0,0,1|2,0,0]=4 2066 B7R0.2 NNC(=O)OC(C)C 1P003UFH [0,1,0,0,0,1|2,0,0]=4 2067 B7R0.2 NNC(CC(=O)O)C 1P01BE2H [0,1,0,0,0,1|1,0,0]=3 2068 B7R0.2 O=CN(CC(=O)O)O 1P005NMO [0,1,0,0,0,1|1,0,1]=4 2069 B7R0.2 O=NN(CC(=O)O)C 1P0011AW [0,1,0,0,0,1|1,0,1]=4 2070 B7R0.2 OC(=O)CC(=O)CCl 1P002V93 [0,1,0,0,0,1|0,0,2]=4 2071 B7R0.2 OCC(=O)NC(C)C 1P01AHTP [0,1,0,0,0,1|1,0,0]=3 2072 B7R0.2 OCC(=O)OC(C)C 1P003RLM [0,1,0,0,0,1|1,0,0]=3 2073 B7R0.2 OCC(CC(=O)O)N 1P00EDPJ [0,1,0,0,0,1|1,0,0]=3 2074 B7R0.2 OC[C@@H](CC(=O)O)N 1P001VOE [0,1,0,0,0,1|1,0,0]=3 2075 B7R0.2 OC[C@H](CC(=O)O)N 1P001VOD [0,1,0,0,0,1|1,0,0]=3 2076 B7R0.2 O[C@H](CF)CC(=O)O 1P029037 [0,1,0,0,0,1|0,0,0]=2 2077 B7R0.2 SCC(=O)OC(C)C 1P008QDW [0,1,0,0,0,1|1,1,0]=4 2078 B7R0.2 [O-]C(=O)CC(C#C)O 1P028CNL [0,1,0,0,0,1|0,0,2]=4 2079 B7R0.2 [O-]C(=O)CC(C#N)C 1P01B8MC [0,1,0,0,0,1|1,0,1]=4 2080 B7R0.2 [O-]C(=O)CC(CO)C 1P01EMTK [0,1,0,0,0,1|0,0,1]=3 2081 B7R0.2 [O-]C(=O)\C=C(\CO)/C 1P02842A [0,1,0,0,0,1|0,0,2]=4 2082 B7R0.2 [O-][N+](=O)CC(CC)O 1P01C9RE [0,1,0,0,0,1|1,0,1]=4 2083 B7R0.2 [O-][N+](=O)OC(CO)C 1P00BWDS [0,1,0,0,0,1|1,0,1]=4 2084 B7R0.9 CC(=O)CC(C)(C)C 1P003KWI [0,1,0,0,0,1|2,0,0]=4 2085 B7R0.9 CC(=O)CC(Cl)(C)C 1P001DU3 [0,1,0,0,0,1|2,0,0]=4 2086 B7R0.9 CC(=O)CC(N)(C)C 1P003L6K [0,1,0,0,0,1|2,0,0]=4 2087 B7R0.9 CC(=O)CC(O)(C)C 1P000KDW [0,1,0,0,0,1|1,0,0]=3 2088 B7R0.9 CC(=O)CC(S)(C)C 1P002C5Z [0,1,0,0,0,1|1,1,0]=4 2089 B7R0.9 CC(=O)NC(C)(C)C 1P003TTT [0,1,0,0,0,1|2,0,0]=4 2090 B7R0.9 CC(=O)OC(C)(C)C 1P0036K8 [0,1,0,0,0,1|2,0,0]=4 2091 B7R0.9 CC(CC(O)(C)C)O 1P0033UJ [0,1,0,0,0,1|1,0,1]=4 2092 B7R0.9 CC(CS(=O)(=N)C)O 1P028OS0 [0,1,0,0,0,1|2,0,0]=4 2093 B7R0.9 CC(CS(=O)(=O)C)O 1P002BG7 [0,1,0,0,0,1|1,0,1]=4 2094 B7R0.9 CC(CS(=O)(=O)N)O 1P01A4D8 [0,1,0,0,0,1|1,0,1]=4 2095 B7R0.9 CC(CS(=O)(=O)O)O 1P01QMMS [0,1,0,0,0,1|1,0,0]=3 2096 B7R0.9 CC(OS(=O)(=O)O)C 1P01PHLU [0,1,0,0,0,1|2,0,0]=4 2097 B7R0.9 ClC(=O)CC(Br)(C)C 1P01B380 [0,1,0,0,0,1|2,0,0]=4 2098 B7R0.9 ClC(=O)CC(C)(C)C 1P003IU3 [0,1,0,0,0,1|2,0,0]=4 2099 B7R0.9 NC(=N)CC(O)(C)C 1P028JC1 [0,1,0,0,0,1|2,0,0]=4 2100 B7R0.9 NC(=O)CC(C)(C)C 1P00H1ZB [0,1,0,0,0,1|2,0,0]=4 2101 B7R0.9 NC(=O)CC(N)(C)C 1P019SGU [0,1,0,0,0,1|2,0,0]=4 2102 B7R0.9 NC(=O)CC(N)(C)C 1P01A7J8 [0,1,0,0,0,1|2,0,0]=4 2103 B7R0.9 NC(=O)NC(C)(C)C 1P003V2Q [0,1,0,0,0,1|2,0,0]=4 2104 B7R0.9 NC(=O)OC(C)(C)C 1P00363R [0,1,0,0,0,1|2,0,0]=4 2105 B7R0.9 OC(=O)CC(Br)(C)C 1P00EPM1 [0,1,0,0,0,1|1,0,0]=3 2106 B7R0.9 OC(=O)CC(Br)(F)F 1P000UQS [0,1,0,0,0,1|2,0,0]=4 2107 B7R0.9 OC(=O)CC(C)(C)C 1P003IU4 [0,1,0,0,0,1|1,0,0]=3 2108 B7R0.9 OC(=O)CC(Cl)(C)C 1P027U6R [0,1,0,0,0,1|1,0,0]=3 2109 B7R0.9 OC(=O)CC(Cl)(F)F 1P0289J5 [0,1,0,0,0,1|2,0,0]=4 2110 B7R0.9 OC(=O)CC(F)(C)C 1P01BUPJ [0,1,0,0,0,1|1,0,0]=3 2111 B7R0.9 OC(=O)CC(F)(F)C 1P01AE6R [0,1,0,0,0,1|1,0,0]=3 2112 B7R0.9 OC(=O)CC(F)(F)F 1P002R5O [0,1,0,0,0,1|2,0,0]=4 2113 B7R0.9 OC(=O)CC(N)(C)C 1P0037NO [0,1,0,0,0,1|1,0,0]=3 2114 B7R0.9 OC(=O)CC(N)(C)C 1P003JBN [0,1,0,0,0,1|1,0,0]=3 2115 B7R0.9 OC(=O)CC(N)(C)C 1P01AGEV [0,1,0,0,0,1|1,0,0]=3 2116 B7R0.9 OC(=O)CC(O)(C)C 1P0039UT [0,1,0,0,0,1|0,0,0]=2 2117 B7R0.9 OC(=O)CC(S)(C)C 1P00392I [0,1,0,0,0,1|0,1,0]=3 2118 B7R0.9 OC(=O)CP(=O)(C)C 1P028MVP [0,1,0,0,0,1|1,0,1]=4 2119 B7R0.9 OC(=O)CP(=O)(O)O 1P003U7S [0,1,0,0,0,1|2,0,0]=4 2120 B7R0.9 OC(=O)CS(=O)(=O)C 1P002R5P [0,1,0,0,0,1|1,0,1]=4 2121 B7R0.9 OC(=O)C[N+](C)(C)C 1P00IAY4 [0,1,0,0,0,1|2,0,0]=4 2122 B7R0.9 OC(=O)C[Si](C)(C)C 1P002NQR [0,1,0,0,0,1|1,1,0]=4 2123 B7R0.9 [O-]C(=O)CC(O)(C)C 1P003P49 [0,1,0,0,0,1|0,0,1]=3 2124 B7R0.16 BrC(C(=O)C(=O)O)Br 1P00EIWF [0,1,0,0,0,1|2,0,0]=4 2125 B7R0.16 BrC(C(=O)Cl)C(C)C 1P00DNAU [0,1,0,0,0,1|2,0,0]=4 2126 B7R0.16 BrC(C(=O)N)C(C)C 1P019PO7 [0,1,0,0,0,1|2,0,0]=4 2127 B7R0.16 BrC(C(=O)O)C(C)C 1P0036DQ [0,1,0,0,0,1|1,0,0]=3 2128 B7R0.16 Br[C@@H](C(=O)O)C(C)C 1P00G3NN [0,1,0,0,0,1|1,0,0]=3 2129 B7R0.16 Br[C@H](C(=O)O)C(C)C 1P003CVL [0,1,0,0,0,1|1,0,0]=3 2130 B7R0.16 CC(=C(C(=O)O)Br)C 1P001Q6W [0,1,0,0,0,1|1,0,1]=4 2131 B7R0.16 CC(=C(C(=O)O)C)C 1P019YZ2 [0,1,0,0,0,1|1,0,1]=4 2132 B7R0.16 CC(=C(C(=O)O)Cl)C 1P01QZ77 [0,1,0,0,0,1|1,0,1]=4 2133 B7R0.16 CC(=C(C(=O)O)F)C 1P01A0CN [0,1,0,0,0,1|1,0,1]=4 2134 B7R0.16 CC(C(=C)C(=O)Cl)C 1P005OL8 [0,1,0,0,0,1|2,0,0]=4 2135 B7R0.16 CC(C(=C)C(=O)O)C 1P00DRDO [0,1,0,0,0,1|1,0,0]=3 2136 B7R0.16 CC(C(=O)C(=O)C)Br 1P0034FA [0,1,0,0,0,1|2,0,0]=4 2137 B7R0.16 CC(C(=O)C(=O)O)C 1P00347Q [0,1,0,0,0,1|1,0,0]=3 2138 B7R0.16 CC(C(=O)C(=O)[O-])C 1P003URT [0,1,0,0,0,1|1,0,1]=4 2139 B7R0.16 CC(C(=O)C(=O)[O-])C 1P00I9QK [0,1,0,0,0,1|1,0,1]=4 2140 B7R0.16 CC(C(=O)C(=O)[O-])C 1P02841O [0,1,0,0,0,1|1,0,1]=4 2141 B7R0.16 CC(C(=O)Cl)C(C)C 1P00DRED [0,1,0,0,0,1|2,0,0]=4 2142 B7R0.16 CC(C(=O)O)C(=O)O 1P003SKU [0,1,0,0,0,1|1,0,1]=4 2143 B7R0.16 CC(C(=O)O)C(C)C 1P007ZPC [0,1,0,0,0,1|1,0,0]=3 2144 B7R0.16 CC(C(=O)O)C(F)F 1P0286NJ [0,1,0,0,0,1|2,0,0]=4 2145 B7R0.16 CC(C(=O)O)C(N)C 1P01AV78 [0,1,0,0,0,1|1,0,0]=3 2146 B7R0.16 CC(C(=O)O)N(C)C 1P00ADBV [0,1,0,0,0,1|2,0,0]=4 2147 B7R0.16 CC(C(C(=O)C)C)C 1P01HJ3E [0,1,0,0,0,1|2,0,0]=4 2148 B7R0.16 CC(C(C(=O)C)S)C 1P005IKG [0,1,0,0,0,1|2,0,0]=4 2149 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [0,1,0,0,0,1|0,0,0]=2 2150 B7R0.16 CC(C(C(=O)O)F)O 1P01BGEK [0,1,0,0,0,1|0,0,0]=2 2151 B7R0.16 CC(C(C(=O)O)N)O 1P01DL1Y [0,1,0,0,0,1|0,0,0]=2 2152 B7R0.16 CC(C(C(=O)O)O)N 1P028U2M [0,1,0,0,0,1|1,0,0]=3 2153 B7R0.16 CC(N(C(=O)Cl)C)C 1P00D8AG [0,1,0,0,0,1|2,0,0]=4 2154 B7R0.16 CN(C(=O)C(=O)O)C 1P007J6I [0,1,0,0,0,1|2,0,0]=4 2155 B7R0.16 CP(=O)C(C(=O)O)O 1P006ECW [0,1,0,0,0,1|1,0,1]=4 2156 B7R0.16 C[C@@H](C(=O)O)C(C)C 1P002VES [0,1,0,0,0,1|1,0,0]=3 2157 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P001XKS [0,1,0,0,0,1|2,0,0]=4 2158 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P00BHJU [0,1,0,0,0,1|2,0,0]=4 2159 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O 1P001J7L [0,1,0,0,0,1|0,0,0]=2 2160 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O 1P00IBMP [0,1,0,0,0,1|0,0,0]=2 2161 B7R0.16 C[C@@H]([C@H](C(=O)O)O)N 1P003B1L [0,1,0,0,0,1|1,0,0]=3 2162 B7R0.16 C[C@H](C(=O)O)C(C)C 1P001N9S [0,1,0,0,0,1|1,0,0]=3 2163 B7R0.16 C[C@H](C(=O)O)N(C)C 1P001PX5 [0,1,0,0,0,1|2,0,0]=4 2164 B7R0.16 C[C@H](C(=O)O)N(C)C 1P00J3DF [0,1,0,0,0,1|2,0,0]=4 2165 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 1P00BY9J [0,1,0,0,0,1|1,0,0]=3 2166 B7R0.16 C[C@H]([C@@H](C(=O)O)N)Br 1P028AO9 [0,1,0,0,0,1|1,0,0]=3 2167 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00359M [0,1,0,0,0,1|0,0,0]=2 2168 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00IB51 [0,1,0,0,0,1|0,0,0]=2 2169 B7R0.16 C[C@H]([C@H](C(=O)O)N)F 1P01BVN1 [0,1,0,0,0,1|1,0,0]=3 2170 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 1P002Q2X [0,1,0,0,0,1|0,0,0]=2 2171 B7R0.16 ClC(C(=O)O)C(C)C 1P019W9W [0,1,0,0,0,1|1,0,0]=3 2172 B7R0.16 Cl[C@H](C(=O)O)C(C)C 1P003D1T [0,1,0,0,0,1|1,0,0]=3 2173 B7R0.16 FC(C(=O)O)C(=O)O 1P00717X [0,1,0,0,0,1|1,0,1]=4 2174 B7R0.16 FC(C(=O)O)C(C)C 1P001Q6L [0,1,0,0,0,1|1,0,0]=3 2175 B7R0.16 NC(C(=O)N)C(C)C 1P00IMQN [0,1,0,0,0,1|2,0,0]=4 2176 B7R0.16 NC(C(=O)O)C(=O)O 1P0083BN [0,1,0,0,0,1|1,0,1]=4 2177 B7R0.16 NC(C(=O)O)C(C)C 1P0035KT [0,1,0,0,0,1|1,0,0]=3 2178 B7R0.16 N[C@@H](C(=O)N)C(C)C 1P0014U9 [0,1,0,0,0,1|2,0,0]=4 2179 B7R0.16 N[C@@H](C(=O)O)C(C)C 1P0037JS [0,1,0,0,0,1|1,0,0]=3 2180 B7R0.16 N[C@H](C(=O)N)C(C)C 1P00I645 [0,1,0,0,0,1|2,0,0]=4 2181 B7R0.16 N[C@H](C(=O)O)C(C)C 1P00I9OW [0,1,0,0,0,1|1,0,0]=3 2182 B7R0.16 N[C@H](C(=O)O)C(F)F 1P01G31Q [0,1,0,0,0,1|2,0,0]=4 2183 B7R0.16 N[C@H](C(=O)O)[C@@H](N)C 1P028L4U [0,1,0,0,0,1|1,0,0]=3 2184 B7R0.16 N[C@H](C(=O)O)[C@H](N)C 1P00C212 [0,1,0,0,0,1|1,0,0]=3 2185 B7R0.16 OC(C(=O)O)C(=O)O 1P003HWB [0,1,0,0,0,1|1,0,1]=4 2186 B7R0.16 OC(C(=O)O)C(C)C 1P003HUP [0,1,0,0,0,1|1,0,0]=3 2187 B7R0.16 OC(C(=O)O)C(F)F 1P027ABM [0,1,0,0,0,1|2,0,0]=4 2188 B7R0.16 OC(C(O)C)C(O)C 1P001EH6 [0,1,0,0,0,1|1,0,1]=4 2189 B7R0.16 O[C@@H](C(=O)O)C(C)C 1P001ZWR [0,1,0,0,0,1|1,0,0]=3 2190 B7R0.16 O[C@@H](C(=O)O)C(F)F 1P028XNQ [0,1,0,0,0,1|2,0,0]=4 2191 B7R0.16 O[C@H](C(=O)O)C(C)C 1P007V6T [0,1,0,0,0,1|1,0,0]=3 2192 B7R0.16 SC(C(=O)O)C(C)C 1P0019CW [0,1,0,0,0,1|1,0,0]=3 2193 B7R0.16 [15NH2][13C@H]([13C](=O)O)[13CH]([13CH3])[13CH3] 1P00C25L [0,1,0,0,0,1|1,0,0]=3 2194 B7R0.5 C(C(C)C)(=O)OCBr 1P01FWOF [0,2,0,0,0,0|1,0,0]=3 2195 B7R0.5 C=COC(=O)C(=C)C 1P003VRS [0,2,0,0,0,0|1,0,1]=4 2196 B7R0.5 CC(=C)C(=O)NCO 1P006LO4 [0,2,0,0,0,0|1,0,1]=4 2197 B7R0.5 CC(=O)C(CCBr)Br 1P01DX0N [0,2,0,0,0,0|2,0,0]=4 2198 B7R0.5 CC(=O)C(CCBr)F 1P00ELFB [0,2,0,0,0,0|2,0,0]=4 2199 B7R0.5 CC(=O)C(CCCl)Cl 1P00EM1D [0,2,0,0,0,0|2,0,0]=4 2200 B7R0.5 CC(=O)C(CCO)Cl 1P000UWG [0,2,0,0,0,0|2,0,0]=4 2201 B7R0.5 CC(C(=N)N)OCC 1P019SLY [0,2,0,0,0,0|2,0,0]=4 2202 B7R0.5 CC(C(=O)C)CC=C 1P01AAP2 [0,2,0,0,0,0|2,0,0]=4 2203 B7R0.5 CC(C(=O)C)CCCl 1P007Q7I [0,2,0,0,0,0|2,0,0]=4 2204 B7R0.5 CC(C(=O)C)SC#N 1P00F1MD [0,2,0,0,0,0|1,1,0]=4 2205 B7R0.5 CC(C(=O)CC#N)C 1P002Z2H [0,2,0,0,0,0|2,0,0]=4 2206 B7R0.5 CC(C(=O)Cl)CCC 1P003I7K [0,2,0,0,0,0|2,0,0]=4 2207 B7R0.5 CC(C(=O)N)CCC 1P00607Q [0,2,0,0,0,0|2,0,0]=4 2208 B7R0.5 CC(C(=O)N)CCO 1P0077PI [0,2,0,0,0,0|1,0,0]=3 2209 B7R0.5 CC(C(=O)N)N=C=S 1P028I1S [0,2,0,0,0,0|1,1,0]=4 2210 B7R0.5 CC(C(=O)N)NCC 1P00J2EF [0,2,0,0,0,0|2,0,0]=4 2211 B7R0.5 CC(C(=O)N=C=O)C 1P01A2AN [0,2,0,0,0,0|1,0,1]=4 2212 B7R0.5 CC(C(=O)N=C=S)C 1P019WXD [0,2,0,0,0,0|1,1,0]=4 2213 B7R0.5 CC(C(=O)O)C=C=C 1P028O41 [0,2,0,0,0,0|1,0,0]=3 2214 B7R0.5 CC(C(=O)O)CC#C 1P008PN0 [0,2,0,0,0,0|1,0,0]=3 2215 B7R0.5 CC(C(=O)O)CC#N 1P01BGKK [0,2,0,0,0,0|1,0,0]=3 2216 B7R0.5 CC(C(=O)O)CC=C 1P001PYS [0,2,0,0,0,0|1,0,0]=3 2217 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [0,2,0,0,0,0|1,0,0]=3 2218 B7R0.5 CC(C(=O)O)CCN 1P007QFU [0,2,0,0,0,0|1,0,0]=3 2219 B7R0.5 CC(C(=O)O)CNC 1P00J2Y9 [0,2,0,0,0,0|1,0,0]=3 2220 B7R0.5 CC(C(=O)O)COC 1P007XM3 [0,2,0,0,0,0|0,0,0]=2 2221 B7R0.5 CC(C(=O)O)CSC 1P00EFBG [0,2,0,0,0,0|0,1,0]=3 2222 B7R0.5 CC(C(=O)O)NCC 1P01DZ09 [0,2,0,0,0,0|1,0,0]=3 2223 B7R0.5 CC(C(=O)O)OCC 1P00I9Y6 [0,2,0,0,0,0|0,0,0]=2 2224 B7R0.5 CC(C(=O)O)SCC 1P002A2O [0,2,0,0,0,0|0,1,0]=3 2225 B7R0.5 CC(C(=S)N)COC 1P01A921 [0,2,0,0,0,0|1,1,0]=4 2226 B7R0.5 CC(C(=S)N)OCC 1P019SM2 [0,2,0,0,0,0|1,1,0]=4 2227 B7R0.5 CCC=C(C(=O)O)F 1P01C40M [0,2,0,0,0,0|1,0,1]=4 2228 B7R0.5 CCCC(=C)C(=O)O 1P00EIR9 [0,2,0,0,0,0|1,0,1]=4 2229 B7R0.5 CCCC(=O)C(=O)O 1P0023U2 [0,2,0,0,0,0|0,0,2]=4 2230 B7R0.5 CCCC(=O)C(C)C 1P003I37 [0,2,0,0,0,0|2,0,0]=4 2231 B7R0.5 CCCC(C(=O)C)Br 1P002ZAM [0,2,0,0,0,0|2,0,0]=4 2232 B7R0.5 CCCC(C(=O)N)Br 1P02852A [0,2,0,0,0,0|2,0,0]=4 2233 B7R0.5 CCCC(C(=O)N)N 1P01B51A [0,2,0,0,0,0|2,0,0]=4 2234 B7R0.5 CCCC(C(=O)O)Br 1P003H9U [0,2,0,0,0,0|1,0,0]=3 2235 B7R0.5 CCCC(C(=O)O)F 1P00B18T [0,2,0,0,0,0|1,0,0]=3 2236 B7R0.5 CCCC(C(=O)O)N 1P0036YR [0,2,0,0,0,0|1,0,0]=3 2237 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [0,2,0,0,0,0|0,0,0]=2 2238 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [0,2,0,0,0,0|0,1,0]=3 2239 B7R0.5 CCC[C@@H](C(=O)N)N 1P0006EZ [0,2,0,0,0,0|2,0,0]=4 2240 B7R0.5 CCC[C@@H](C(=O)O)Br 1P00C8EN [0,2,0,0,0,0|1,0,0]=3 2241 B7R0.5 CCC[C@@H](C(=O)O)N 1P003RTO [0,2,0,0,0,0|1,0,0]=3 2242 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [0,2,0,0,0,0|0,0,0]=2 2243 B7R0.5 CCC[C@H](C(=O)O)Br 1P01HPLB [0,2,0,0,0,0|1,0,0]=3 2244 B7R0.5 CCC[C@H](C(=O)O)N 1P002DST [0,2,0,0,0,0|1,0,0]=3 2245 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [0,2,0,0,0,0|0,0,0]=2 2246 B7R0.5 CCNC(=O)C(=O)O 1P00JEDA [0,2,0,0,0,0|0,0,2]=4 2247 B7R0.5 CCNC(=O)C(Cl)C 1P0063NN [0,2,0,0,0,0|2,0,0]=4 2248 B7R0.5 CCNC(=O)C(N)C 1P008VMH [0,2,0,0,0,0|2,0,0]=4 2249 B7R0.5 CCNC(=O)C(N)C 1P0098LW [0,2,0,0,0,0|2,0,0]=4 2250 B7R0.5 CCNC(=O)[C@@H](N)C 1P005QE2 [0,2,0,0,0,0|2,0,0]=4 2251 B7R0.5 CCNC(=O)[C@@H](O)C 1P00BBOD [0,2,0,0,0,0|1,0,0]=3 2252 B7R0.5 CCOC(=C)C(=O)O 1P01Q8PF [0,2,0,0,0,0|0,0,2]=4 2253 B7R0.5 CCOC(=N)C(C)C 1P003866 [0,2,0,0,0,0|2,0,0]=4 2254 B7R0.5 CCOC(=O)C(=C)C 1P003QWF [0,2,0,0,0,0|1,0,1]=4 2255 B7R0.5 CCOC(=O)C(=O)C 1P0035DH [0,2,0,0,0,0|0,0,2]=4 2256 B7R0.5 CCOC(=O)C(=O)O 1P003QF4 [0,2,0,0,0,0|0,0,2]=4 2257 B7R0.5 CCOC(=O)C(Br)Br 1P003QVF [0,2,0,0,0,0|2,0,0]=4 2258 B7R0.5 CCOC(=O)C(Br)C 1P0035B0 [0,2,0,0,0,0|1,0,0]=3 2259 B7R0.5 CCOC(=O)C(Br)F 1P0035CL [0,2,0,0,0,0|2,0,0]=4 2260 B7R0.5 CCOC(=O)C(C)C 1P005ZBF [0,2,0,0,0,0|1,0,0]=3 2261 B7R0.5 CCOC(=O)C(Cl)C 1P003QKG [0,2,0,0,0,0|1,0,0]=3 2262 B7R0.5 CCOC(=O)C(Cl)Cl 1P003QVG [0,2,0,0,0,0|2,0,0]=4 2263 B7R0.5 CCOC(=O)C(Cl)F 1P003QV7 [0,2,0,0,0,0|2,0,0]=4 2264 B7R0.5 CCOC(=O)C(F)C 1P000XDF [0,2,0,0,0,0|1,0,0]=3 2265 B7R0.5 CCOC(=O)C(F)F 1P0035DT [0,2,0,0,0,0|2,0,0]=4 2266 B7R0.5 CCOC(=O)C(I)C 1P00BE4W [0,2,0,0,0,0|1,0,0]=3 2267 B7R0.5 CCOC(=O)C(I)F 1P00I8BT [0,2,0,0,0,0|2,0,0]=4 2268 B7R0.5 CCOC(=O)C(I)I 1P028IJU [0,2,0,0,0,0|2,0,0]=4 2269 B7R0.5 CCOC(=O)C(N)C 1P0037FG [0,2,0,0,0,0|1,0,0]=3 2270 B7R0.5 CCOC(=O)C(S)C 1P002BLG [0,2,0,0,0,0|0,1,0]=3 2271 B7R0.5 CCOC(=O)N(C)C 1P003QVJ [0,2,0,0,0,0|2,0,0]=4 2272 B7R0.5 CCOC(=O)N(N)C 1P005GO9 [0,2,0,0,0,0|2,0,0]=4 2273 B7R0.5 CCOC(=O)[C@@H](Br)C 1P0030CM [0,2,0,0,0,0|1,0,0]=3 2274 B7R0.5 CCOC(=O)[C@@H](F)C 1P028T69 [0,2,0,0,0,0|1,0,0]=3 2275 B7R0.5 CCOC(=O)[C@@H](N)C 1P0035JM [0,2,0,0,0,0|1,0,0]=3 2276 B7R0.5 CCOC(=O)[C@@H](O)C 1P0037A3 [0,2,0,0,0,0|0,0,0]=2 2277 B7R0.5 CCOC(=O)[C@H](F)C 1P005NLB [0,2,0,0,0,0|1,0,0]=3 2278 B7R0.5 CCOC(=O)[C@H](N)C 1P003POW [0,2,0,0,0,0|1,0,0]=3 2279 B7R0.5 CCOC(=O)[C@H](O)C 1P0035CT [0,2,0,0,0,0|0,0,0]=2 2280 B7R0.5 CCSC(=O)[C@@H](N)C 1P01KKNJ [0,2,0,0,0,0|1,1,0]=4 2281 B7R0.5 CN(C(=O)C)CCO 1P001OKA [0,2,0,0,0,0|2,0,0]=4 2282 B7R0.5 CNC[C@@H](C(=O)O)N 1P001S54 [0,2,0,0,0,0|1,0,0]=3 2283 B7R0.5 CNC[C@@H](C(=O)O)N 1P0290I6 [0,2,0,0,0,0|1,0,0]=3 2284 B7R0.5 COCC(=C)C(=O)O 1P01BF18 [0,2,0,0,0,0|0,0,2]=4 2285 B7R0.5 COCC(=O)C(C)C 1P01ALE6 [0,2,0,0,0,0|1,0,0]=3 2286 B7R0.5 COCC(=O)N(C)C 1P00BZX1 [0,2,0,0,0,0|2,0,0]=4 2287 B7R0.5 COCC(=O)N(N)C 1P0291GK [0,2,0,0,0,0|2,0,0]=4 2288 B7R0.5 COCC(C(=O)C)C 1P00AXOM [0,2,0,0,0,0|1,0,0]=3 2289 B7R0.5 COCC(C(=O)N)N 1P01A3LI [0,2,0,0,0,0|2,0,0]=4 2290 B7R0.5 COCC(C(=O)O)Br 1P00ED9O [0,2,0,0,0,0|1,0,0]=3 2291 B7R0.5 COCC(C(=O)O)Cl 1P003BNM [0,2,0,0,0,0|1,0,0]=3 2292 B7R0.5 COCC(C(=O)O)N 1P00I6NY [0,2,0,0,0,0|1,0,0]=3 2293 B7R0.5 COCC(C(=O)O)N 1P01A5C9 [0,2,0,0,0,0|1,0,0]=3 2294 B7R0.5 COC[C@@H](C(=O)O)N 1P002BNL [0,2,0,0,0,0|1,0,0]=3 2295 B7R0.5 COC[C@@H](C(=O)O)N 1P0037T9 [0,2,0,0,0,0|1,0,0]=3 2296 B7R0.5 COC[C@H](C(=O)O)N 1P0032VH [0,2,0,0,0,0|1,0,0]=3 2297 B7R0.5 COC[C@H](C(=O)O)N 1P004LJ9 [0,2,0,0,0,0|1,0,0]=3 2298 B7R0.5 CONC(=O)C(=O)O 1P028PC4 [0,2,0,0,0,0|0,0,2]=4 2299 B7R0.5 CSCC(C(=O)O)O 1P001OTX [0,2,0,0,0,0|0,0,0]=2 2300 B7R0.5 CSC[C@@H](C(=O)O)N 1P003UQQ [0,2,0,0,0,0|1,0,0]=3 2301 B7R0.5 C[C@@H](C(=O)O)CC#C 1P028WDU [0,2,0,0,0,0|1,0,0]=3 2302 B7R0.5 C[C@@H](C(=O)O)CC=C 1P01GUL6 [0,2,0,0,0,0|1,0,0]=3 2303 B7R0.5 C[C@@H](C(=O)O)COC 1P027VIC [0,2,0,0,0,0|0,0,0]=2 2304 B7R0.5 C[C@@H](C(=O)O)NCC 1P00ENDL [0,2,0,0,0,0|1,0,0]=3 2305 B7R0.5 C[C@H](C(=O)O)CC#C 1P028ZLH [0,2,0,0,0,0|1,0,0]=3 2306 B7R0.5 C[C@H](C(=O)O)COC 1P01AG1F [0,2,0,0,0,0|0,0,0]=2 2307 B7R0.5 C[C@H](C(=O)O)NCC 1P01J7GU [0,2,0,0,0,0|1,0,0]=3 2308 B7R0.5 C[Se]C[C@@H](C(=O)O)N 1P002RYO [0,2,0,0,0,0|1,0,0]=3 2309 B7R0.5 C\C(=C/C=C)\C(=O)O 1P028VMJ [0,2,0,0,0,0|1,0,1]=4 2310 B7R0.5 C\C(=C/CC)\C(=O)O 1P003I2Q [0,2,0,0,0,0|1,0,1]=4 2311 B7R0.5 C\C(=C/CCl)\C(=O)O 1P01I3DR [0,2,0,0,0,0|1,0,1]=4 2312 B7R0.5 C\C(=N/OC)\C(=O)O 1P01KKJY [0,2,0,0,0,0|0,0,1]=3 2313 B7R0.5 ClC(=O)C(CCBr)Br 1P003G6I [0,2,0,0,0,0|2,0,0]=4 2314 B7R0.5 ClCCC(C(=O)Cl)C 1P00I9PJ [0,2,0,0,0,0|2,0,0]=4 2315 B7R0.5 ClCOC(=O)C(C)C 1P0037G1 [0,2,0,0,0,0|1,0,0]=3 2316 B7R0.5 ClCOC(=O)N(C)C 1P01B6YX [0,2,0,0,0,0|2,0,0]=4 2317 B7R0.5 Cl\C=C\C(=O)C(C)C 1P01B79F [0,2,0,0,0,0|2,0,0]=4 2318 B7R0.5 ICOC(=O)C(C)C 1P00ELWR [0,2,0,0,0,0|1,0,0]=3 2319 B7R0.5 NC(=O)C(CCO)O 1P0286EP [0,2,0,0,0,0|1,0,0]=3 2320 B7R0.5 NC(C(=O)N)CC#C 1P01A3AH [0,2,0,0,0,0|2,0,0]=4 2321 B7R0.5 NC(C(=O)O)CC#C 1P001YWB [0,2,0,0,0,0|1,0,0]=3 2322 B7R0.5 NC(C(=O)O)CC#C 1P0037TV [0,2,0,0,0,0|1,0,0]=3 2323 B7R0.5 NC(C(=O)O)CC=C 1P00ID8H [0,2,0,0,0,0|1,0,0]=3 2324 B7R0.5 NC(C(=O)O)CCCl 1P028VVG [0,2,0,0,0,0|1,0,0]=3 2325 B7R0.5 NC(C(=O)O)CCF 1P01B2JO [0,2,0,0,0,0|1,0,0]=3 2326 B7R0.5 NC(C(=O)O)CCN 1P0030UF [0,2,0,0,0,0|1,0,0]=3 2327 B7R0.5 NC(C(=O)O)CCS 1P00396E [0,2,0,0,0,0|1,0,0]=3 2328 B7R0.5 NCCC(C(=O)O)F 1P002TO1 [0,2,0,0,0,0|1,0,0]=3 2329 B7R0.5 NCCC(C(=O)O)N 1P003598 [0,2,0,0,0,0|1,0,0]=3 2330 B7R0.5 NCCC(C(=O)O)O 1P0039EQ [0,2,0,0,0,0|0,0,0]=2 2331 B7R0.5 NCC[C@@H](C(=O)O)N 1P002H9V [0,2,0,0,0,0|1,0,0]=3 2332 B7R0.5 NCC[C@@H](C(=O)O)O 1P003CUM [0,2,0,0,0,0|0,0,0]=2 2333 B7R0.5 NCC[C@H](C(=O)O)N 1P000XM3 [0,2,0,0,0,0|1,0,0]=3 2334 B7R0.5 NCC[C@H](C(=O)O)O 1P000EBP [0,2,0,0,0,0|0,0,0]=2 2335 B7R0.5 NOCC(=O)N(C)C 1P02883Z [0,2,0,0,0,0|2,0,0]=4 2336 B7R0.5 N[C@@H](C(=O)O)CC#C 1P002N2N [0,2,0,0,0,0|1,0,0]=3 2337 B7R0.5 N[C@@H](C(=O)O)CC#C 1P00GROI [0,2,0,0,0,0|1,0,0]=3 2338 B7R0.5 N[C@@H](C(=O)O)CC=C 1P003POY [0,2,0,0,0,0|1,0,0]=3 2339 B7R0.5 N[C@@H](C(=O)O)CC=C 1P007D56 [0,2,0,0,0,0|1,0,0]=3 2340 B7R0.5 N[C@@H](C(=O)O)CCN 1P007MVB [0,2,0,0,0,0|1,0,0]=3 2341 B7R0.5 N[C@@H](C(=O)O)CCS 1P00ECTR [0,2,0,0,0,0|1,0,0]=3 2342 B7R0.5 N[C@H](C(=O)O)CC#C 1P002C6G [0,2,0,0,0,0|1,0,0]=3 2343 B7R0.5 N[C@H](C(=O)O)CC#C 1P002N2O [0,2,0,0,0,0|1,0,0]=3 2344 B7R0.5 N[C@H](C(=O)O)CC=C 1P001UJ3 [0,2,0,0,0,0|1,0,0]=3 2345 B7R0.5 N[C@H](C(=O)O)CC=C 1P003CU8 [0,2,0,0,0,0|1,0,0]=3 2346 B7R0.5 N[C@H](C(=O)O)CCBr 1P003CX0 [0,2,0,0,0,0|1,0,0]=3 2347 B7R0.5 N[C@H](C(=O)O)CCN 1P0021O4 [0,2,0,0,0,0|1,0,0]=3 2348 B7R0.5 N[C@H](C(=O)O)CCN 1P005GDQ [0,2,0,0,0,0|1,0,0]=3 2349 B7R0.5 N[C@H](C(=O)O)CCN 1P00AKKB [0,2,0,0,0,0|1,0,0]=3 2350 B7R0.5 N[C@H](C(=O)O)CCS 1P0037WB [0,2,0,0,0,0|1,0,0]=3 2351 B7R0.5 O=CNC(C(=O)O)C 1P003THZ [0,2,0,0,0,0|0,0,1]=3 2352 B7R0.5 O=CN[C@H](C(=O)O)C 1P003TI4 [0,2,0,0,0,0|0,0,1]=3 2353 B7R0.5 OC(=O)C(=C)CC=C 1P028JZR [0,2,0,0,0,0|1,0,1]=4 2354 B7R0.5 OC(=O)C(CC=C)Cl 1P01BIF8 [0,2,0,0,0,0|1,0,0]=3 2355 B7R0.5 OC(=O)C(CCBr)Br 1P00IBMF [0,2,0,0,0,0|1,0,0]=3 2356 B7R0.5 OC(=O)C(CCF)Br 1P0291J0 [0,2,0,0,0,0|1,0,0]=3 2357 B7R0.5 OC(C(=O)O)CC#C 1P01BEDA [0,2,0,0,0,0|0,0,0]=2 2358 B7R0.5 OCC=C(C(C)C)C 1P01BTWJ [0,2,0,0,0,0|2,0,0]=4 2359 B7R0.5 OCCC(=C)C(C)C 1P028T6A [0,2,0,0,0,0|2,0,0]=4 2360 B7R0.5 OCCC(=O)C(C)C 1P009DD1 [0,2,0,0,0,0|1,0,0]=3 2361 B7R0.5 OCCC(=O)N(C)C 1P002XZ7 [0,2,0,0,0,0|2,0,0]=4 2362 B7R0.5 OCC[C@@H](C(=O)O)N 1P002GON [0,2,0,0,0,0|1,0,0]=3 2363 B7R0.5 OCC[C@H](C(=O)O)N 1P00355P [0,2,0,0,0,0|1,0,0]=3 2364 B7R0.5 OCNC(=O)C(C)C 1P01DL1W [0,2,0,0,0,0|1,0,0]=3 2365 B7R0.5 OC\C=C(\C(=O)O)/C 1P028VCA [0,2,0,0,0,0|0,0,1]=3 2366 B7R0.5 [N-]=[N+]=NC(C(=O)O)C 1P027QIJ [0,2,0,0,0,0|1,0,0]=3 2367 B7R0.5 [N-]=[N+]=N[C@H](C(=O)O)C 1P001659 [0,2,0,0,0,0|1,0,0]=3 2368 B7R0.5 [O-]C(=O)C(CCO)C 1P01EMT0 [0,2,0,0,0,0|0,0,1]=3 2369 B7R0.5 [O-]C(=O)C(COC)O 1P0285SZ [0,2,0,0,0,0|0,0,1]=3 2370 B7R0.10 BrCC(=O)C(=O)OC 1P008R54 [0,2,0,0,0,0|0,0,2]=4 2371 B7R0.10 BrCC(C(CBr)O)O 1P001J4N [0,2,0,0,0,0|1,0,1]=4 2372 B7R0.10 CC(C(=NO)N)CC 1P019Y5R [0,2,0,0,0,0|2,0,0]=4 2373 B7R0.10 CC(C(=O)CC)C#N 1P019VUI [0,2,0,0,0,0|2,0,0]=4 2374 B7R0.10 CC(C(=O)CCl)OC 1P028XWI [0,2,0,0,0,0|1,0,0]=3 2375 B7R0.10 CC(C(=O)NC)CN 1P00J2NA [0,2,0,0,0,0|2,0,0]=4 2376 B7R0.10 CC(C(=O)NN)CC 1P00FUHT [0,2,0,0,0,0|2,0,0]=4 2377 B7R0.10 CC(C(=O)NN)OC 1P0046XB [0,2,0,0,0,0|1,0,0]=3 2378 B7R0.10 CC(C(=O)OC)C#N 1P001E8T [0,2,0,0,0,0|1,0,0]=3 2379 B7R0.10 CC(C(=O)OC)C=O 1P00DM2O [0,2,0,0,0,0|0,0,1]=3 2380 B7R0.10 CC(C(=O)OC)CBr 1P002AZJ [0,2,0,0,0,0|1,0,0]=3 2381 B7R0.10 CC(C(=O)OC)CF 1P028N17 [0,2,0,0,0,0|1,0,0]=3 2382 B7R0.10 CC(C(=O)OC)CN 1P00490T [0,2,0,0,0,0|1,0,0]=3 2383 B7R0.10 CC(C(=O)OC)CO 1P01A9LL [0,2,0,0,0,0|0,0,0]=2 2384 B7R0.10 CC(C(=O)OC)CS 1P00D6G2 [0,2,0,0,0,0|0,1,0]=3 2385 B7R0.10 CC(\C(=N\O)\N)CC 1P00J2ZV [0,2,0,0,0,0|2,0,0]=4 2386 B7R0.10 CC(\C(=N\O)\N)OC 1P00HIKU [0,2,0,0,0,0|1,0,0]=3 2387 B7R0.10 CCC(=C)C(=O)OC 1P00BVKE [0,2,0,0,0,0|1,0,1]=4 2388 B7R0.10 CCC(=O)C(=NO)C 1P007J6W [0,2,0,0,0,0|1,0,1]=4 2389 B7R0.10 CCC(=O)C(=O)OC 1P003S5Q [0,2,0,0,0,0|0,0,2]=4 2390 B7R0.10 CCC(=O)C(CC)O 1P003UFW [0,2,0,0,0,0|1,0,0]=3 2391 B7R0.10 CCC(C(=N)OC)C 1P028DNL [0,2,0,0,0,0|2,0,0]=4 2392 B7R0.10 CCC(C(=O)CN)C 1P028VDR [0,2,0,0,0,0|2,0,0]=4 2393 B7R0.10 CCC(C(=O)NN)N 1P027VHN [0,2,0,0,0,0|2,0,0]=4 2394 B7R0.10 CCC(C(=O)NO)N 1P00J375 [0,2,0,0,0,0|1,0,0]=3 2395 B7R0.10 CCC(C(=O)OC)Br 1P003763 [0,2,0,0,0,0|1,0,0]=3 2396 B7R0.10 CCC(C(=O)OC)C 1P003S5F [0,2,0,0,0,0|1,0,0]=3 2397 B7R0.10 CCC(C(=O)OC)Cl 1P002TT6 [0,2,0,0,0,0|1,0,0]=3 2398 B7R0.10 CCC(C(=O)OC)N 1P003599 [0,2,0,0,0,0|1,0,0]=3 2399 B7R0.10 CCC(C(=O)OC)O 1P002ZIT [0,2,0,0,0,0|0,0,0]=2 2400 B7R0.10 CCC(C(=O)OC)S 1P0289SO [0,2,0,0,0,0|0,1,0]=3 2401 B7R0.10 CCC(C(CC)O)O 1P0062IW [0,2,0,0,0,0|1,0,1]=4 2402 B7R0.10 CCC(C(CO)C)O 1P001LSY [0,2,0,0,0,0|1,0,1]=4 2403 B7R0.10 CCC(C(CO)C)O 1P01GGEC [0,2,0,0,0,0|1,0,1]=4 2404 B7R0.10 CCN(C(=O)OC)C 1P027UV2 [0,2,0,0,0,0|2,0,0]=4 2405 B7R0.10 CC[C@@H](C(=O)CBr)N 1P0292PL [0,2,0,0,0,0|2,0,0]=4 2406 B7R0.10 CC[C@@H](C(=O)NC)N 1P0290BF [0,2,0,0,0,0|2,0,0]=4 2407 B7R0.10 CC[C@@H](C(=O)OC)Br 1P02848G [0,2,0,0,0,0|1,0,0]=3 2408 B7R0.10 CC[C@@H](C(=O)OC)N 1P0039SD [0,2,0,0,0,0|1,0,0]=3 2409 B7R0.10 CC[C@@H](C(=O)OC)N 1P00AND3 [0,2,0,0,0,0|1,0,0]=3 2410 B7R0.10 CC[C@@H](C(=O)OC)O 1P0036DS [0,2,0,0,0,0|0,0,0]=2 2411 B7R0.10 CC[C@H](C(=O)CBr)N 1P02804I [0,2,0,0,0,0|2,0,0]=4 2412 B7R0.10 CC[C@H](C(=O)NC)N 1P02917U [0,2,0,0,0,0|2,0,0]=4 2413 B7R0.10 CC[C@H](C(=O)OC)Br 1P01DFTB [0,2,0,0,0,0|1,0,0]=3 2414 B7R0.10 CC[C@H](C(=O)OC)N 1P0036WD [0,2,0,0,0,0|1,0,0]=3 2415 B7R0.10 CC[C@H](C(=O)OC)O 1P0036DY [0,2,0,0,0,0|0,0,0]=2 2416 B7R0.10 CN(C(=O)C#N)OC 1P027UIN [0,2,0,0,0,0|2,0,0]=4 2417 B7R0.10 CN(C(=O)C=C)OC 1P01AKSW [0,2,0,0,0,0|2,0,0]=4 2418 B7R0.10 CN(C(=O)CCl)OC 1P0033Q6 [0,2,0,0,0,0|2,0,0]=4 2419 B7R0.10 CN(C(=O)CF)OC 1P00IEJK [0,2,0,0,0,0|2,0,0]=4 2420 B7R0.10 CN(C(=O)CN)OC 1P01AE6L [0,2,0,0,0,0|2,0,0]=4 2421 B7R0.10 CN(C(=O)CN)OC 1P01AHW7 [0,2,0,0,0,0|2,0,0]=4 2422 B7R0.10 CN(C(=O)OC)CCl 1P01DX21 [0,2,0,0,0,0|2,0,0]=4 2423 B7R0.10 CNC(=O)C(=O)OC 1P00IA4U [0,2,0,0,0,0|0,0,2]=4 2424 B7R0.10 CNC(=O)C(CN)O 1P01BEER [0,2,0,0,0,0|1,0,0]=3 2425 B7R0.10 CNC(=O)C(CO)N 1P01A7H4 [0,2,0,0,0,0|2,0,0]=4 2426 B7R0.10 CNC(=O)C(CO)N 1P027TPQ [0,2,0,0,0,0|2,0,0]=4 2427 B7R0.10 CNC(=O)C(NC)C 1P00EEAJ [0,2,0,0,0,0|2,0,0]=4 2428 B7R0.10 CNC(=O)[C@@H](NC)C 1P00J38P [0,2,0,0,0,0|2,0,0]=4 2429 B7R0.10 CNC(C(=O)OC)C 1P0092WO [0,2,0,0,0,0|1,0,0]=3 2430 B7R0.10 CNC(C(=O)OC)C 1P00DK8K [0,2,0,0,0,0|1,0,0]=3 2431 B7R0.10 CN[C@@H](C(=O)OC)C 1P002CEB [0,2,0,0,0,0|1,0,0]=3 2432 B7R0.10 CN[C@H](C(=O)OC)C 1P002D9O [0,2,0,0,0,0|1,0,0]=3 2433 B7R0.10 CN[C@H](C(=O)OC)C 1P00C8GB [0,2,0,0,0,0|1,0,0]=3 2434 B7R0.10 COC(=N)C(OC)C 1P027UXQ [0,2,0,0,0,0|1,0,0]=3 2435 B7R0.10 COC(=O)C(=C)CBr 1P0037P1 [0,2,0,0,0,0|1,0,1]=4 2436 B7R0.10 COC(=O)C(=C)CCl 1P00GV0X [0,2,0,0,0,0|1,0,1]=4 2437 B7R0.10 COC(=O)C(=C)CN 1P0289CD [0,2,0,0,0,0|1,0,1]=4 2438 B7R0.10 COC(=O)C(=C)CO 1P0039DX [0,2,0,0,0,0|0,0,2]=4 2439 B7R0.10 COC(=O)C(=C)OC 1P005RYU [0,2,0,0,0,0|0,0,2]=4 2440 B7R0.10 COC(=O)C(=CC)Br 1P002559 [0,2,0,0,0,0|1,0,1]=4 2441 B7R0.10 COC(=O)C(=CC)C 1P003SJI [0,2,0,0,0,0|1,0,1]=4 2442 B7R0.10 COC(=O)C(=NO)Cl 1P00C3IW [0,2,0,0,0,0|1,0,1]=4 2443 B7R0.10 COC(=O)C(=O)OC 1P00357V [0,2,0,0,0,0|0,0,2]=4 2444 B7R0.10 COC(=O)C(C=C)N 1P027OVZ [0,2,0,0,0,0|1,0,1]=4 2445 B7R0.10 COC(=O)C(C=C)O 1P003Q9G [0,2,0,0,0,0|0,0,1]=3 2446 B7R0.10 COC(=O)C(C=O)Cl 1P002J2G [0,2,0,0,0,0|1,0,1]=4 2447 B7R0.10 COC(=O)C(CBr)Br 1P003S26 [0,2,0,0,0,0|1,0,0]=3 2448 B7R0.10 COC(=O)C(CCl)Cl 1P00BXT1 [0,2,0,0,0,0|1,0,0]=3 2449 B7R0.10 COC(=O)C(CCl)N 1P007DBD [0,2,0,0,0,0|1,0,0]=3 2450 B7R0.10 COC(=O)C(CCl)O 1P00CN6U [0,2,0,0,0,0|0,0,0]=2 2451 B7R0.10 COC(=O)C(CF)N 1P009GSZ [0,2,0,0,0,0|1,0,0]=3 2452 B7R0.10 COC(=O)C(CF)O 1P028ZOR [0,2,0,0,0,0|0,0,0]=2 2453 B7R0.10 COC(=O)C(CN)F 1P01ALX5 [0,2,0,0,0,0|1,0,0]=3 2454 B7R0.10 COC(=O)C(CN)O 1P01A438 [0,2,0,0,0,0|0,0,0]=2 2455 B7R0.10 COC(=O)C(CO)Br 1P00G8R7 [0,2,0,0,0,0|1,0,0]=3 2456 B7R0.10 COC(=O)C(CO)F 1P006LWG [0,2,0,0,0,0|1,0,0]=3 2457 B7R0.10 COC(=O)C(CO)N 1P0035KP [0,2,0,0,0,0|1,0,0]=3 2458 B7R0.10 COC(=O)C(CO)N 1P00IAHU [0,2,0,0,0,0|1,0,0]=3 2459 B7R0.10 COC(=O)C(CO)O 1P01GNO2 [0,2,0,0,0,0|0,0,0]=2 2460 B7R0.10 COC(=O)C(CS)N 1P00E3PB [0,2,0,0,0,0|1,0,0]=3 2461 B7R0.10 COC(=O)C(OC)C 1P00254D [0,2,0,0,0,0|0,0,0]=2 2462 B7R0.10 COC(=O)C(OC)Cl 1P009WZC [0,2,0,0,0,0|1,0,0]=3 2463 B7R0.10 COC(=O)C(OC)O 1P002BDD [0,2,0,0,0,0|0,0,0]=2 2464 B7R0.10 COC(=O)[C@@H](CBr)N 1P028ABJ [0,2,0,0,0,0|1,0,0]=3 2465 B7R0.10 COC(=O)[C@@H](CCl)N 1P003D48 [0,2,0,0,0,0|1,0,0]=3 2466 B7R0.10 COC(=O)[C@@H](CO)Br 1P023OOG [0,2,0,0,0,0|1,0,0]=3 2467 B7R0.10 COC(=O)[C@@H](CO)N 1P00359W [0,2,0,0,0,0|1,0,0]=3 2468 B7R0.10 COC(=O)[C@@H](CO)O 1P0024OK [0,2,0,0,0,0|0,0,0]=2 2469 B7R0.10 COC(=O)[C@@H](CS)N 1P003PPN [0,2,0,0,0,0|1,0,0]=3 2470 B7R0.10 COC(=O)[C@@H](OC)C 1P01IG4T [0,2,0,0,0,0|0,0,0]=2 2471 B7R0.10 COC(=O)[C@H](CBr)N 1P028AUV [0,2,0,0,0,0|1,0,0]=3 2472 B7R0.10 COC(=O)[C@H](CCl)N 1P007UNW [0,2,0,0,0,0|1,0,0]=3 2473 B7R0.10 COC(=O)[C@H](CN)F 1P01BIWZ [0,2,0,0,0,0|1,0,0]=3 2474 B7R0.10 COC(=O)[C@H](CN)O 1P01A3MB [0,2,0,0,0,0|0,0,0]=2 2475 B7R0.10 COC(=O)[C@H](CO)Br 1P01XFPL [0,2,0,0,0,0|1,0,0]=3 2476 B7R0.10 COC(=O)[C@H](CO)O 1P007IRI [0,2,0,0,0,0|0,0,0]=2 2477 B7R0.10 COC(=O)[C@H](CS)N 1P0039K7 [0,2,0,0,0,0|1,0,0]=3 2478 B7R0.10 COC(=O)[C@H](CS)N 1P003RPE [0,2,0,0,0,0|1,0,0]=3 2479 B7R0.10 COC(=O)\C(=C/C)\C 1P003OCY [0,2,0,0,0,0|1,0,1]=4 2480 B7R0.10 COC(=O)\C(=C\Br)\C 1P00BZQR [0,2,0,0,0,0|1,0,1]=4 2481 B7R0.10 CON(C(=O)CC)C 1P007GR1 [0,2,0,0,0,0|2,0,0]=4 2482 B7R0.10 CO[C@@H]([C@@H](CO)N)C 1P01C9Z0 [0,2,0,0,0,0|1,0,1]=4 2483 B7R0.10 CSC(C(=O)OC)Br 1P01AMBH [0,2,0,0,0,0|1,0,0]=3 2484 B7R0.10 CSC(C(=O)OC)C 1P003S5J [0,2,0,0,0,0|0,1,0]=3 2485 B7R0.10 C[C@@H](C(=O)NN)CO 1P027U9Z [0,2,0,0,0,0|1,0,0]=3 2486 B7R0.10 C[C@@H](C(=O)OC)CBr 1P003RZT [0,2,0,0,0,0|1,0,0]=3 2487 B7R0.10 C[C@@H](C(=O)OC)CN 1P028GC7 [0,2,0,0,0,0|1,0,0]=3 2488 B7R0.10 C[C@@H](C(=O)OC)CO 1P0035LR [0,2,0,0,0,0|0,0,0]=2 2489 B7R0.10 C[C@H](C(=O)NN)CO 1P027X75 [0,2,0,0,0,0|1,0,0]=3 2490 B7R0.10 C[C@H](C(=O)OC)CBr 1P003RZM [0,2,0,0,0,0|1,0,0]=3 2491 B7R0.10 C[C@H](C(=O)OC)CN 1P01RNEO [0,2,0,0,0,0|1,0,0]=3 2492 B7R0.10 C[C@H](C(=O)OC)CO 1P0035LU [0,2,0,0,0,0|0,0,0]=2 2493 B7R0.10 ClCC(C(CCl)O)O 1P003Q99 [0,2,0,0,0,0|1,0,1]=4 2494 B7R0.10 ClC[C@H]([C@H](CCl)O)O 1P003RXW [0,2,0,0,0,0|1,0,1]=4 2495 B7R0.10 NC(C(=O)NN)CO 1P0036LD [0,2,0,0,0,0|2,0,0]=4 2496 B7R0.10 NCC(C(CN)O)O 1P01DX9J [0,2,0,0,0,0|1,0,1]=4 2497 B7R0.10 NC[C@@H](C(=O)OC)N 1P00AOD5 [0,2,0,0,0,0|1,0,0]=3 2498 B7R0.10 NOC(C(=O)OC)C 1P01DIAE [0,2,0,0,0,0|0,0,0]=2 2499 B7R0.10 NO[C@@H](C(=O)OC)C 1P028Q1H [0,2,0,0,0,0|0,0,0]=2 2500 B7R0.10 NO[C@H](C(=O)OC)C 1P028Q1U [0,2,0,0,0,0|0,0,0]=2 2501 B7R0.10 OCC(=O)[C@H](CO)O 1P00DDQ7 [0,2,0,0,0,0|0,0,0]=2 2502 B7R0.10 OCC(C(=C)CC)C 1P028X8L [0,2,0,0,0,0|2,0,0]=4 2503 B7R0.10 OCC(C(=CC)C)C 1P028FW7 [0,2,0,0,0,0|2,0,0]=4 2504 B7R0.10 OCC(C(=O)CC)C 1P01HOP8 [0,2,0,0,0,0|1,0,0]=3 2505 B7R0.10 OCC(C(=O)NO)N 1P01FLIC [0,2,0,0,0,0|1,0,0]=3 2506 B7R0.10 OCC(N(N=O)C)C 1P028WIX [0,2,0,0,0,0|2,0,0]=4 2507 B7R0.10 OC[C@@H]([C@@H](C=O)O)O 1P00I9Z8 [0,2,0,0,0,0|0,0,1]=3 2508 B7R0.10 OC[C@@H]([C@H](CO)O)O 1P003RU6 [0,2,0,0,0,0|0,0,2]=4 2509 B7R0.10 OC[C@H]([C@@H](C=O)O)O 1P00IJ56 [0,2,0,0,0,0|0,0,1]=3 2510 B7R0.10 OC[C@H]([C@@H](CO)O)O 1P00I546 [0,2,0,0,0,0|0,0,2]=4 2511 B7R0.10 OC[C@H]([C@H](CO)O)O 1P001LSX [0,2,0,0,0,0|0,0,2]=4 2512 B7R0.10 OC\C(=C(\CO)/C)\C 1P028BYR [0,2,0,0,0,0|1,0,1]=4 2513 B7R0.10 ON=C(C(=NO)C)C 1P00C5FG [0,2,0,0,0,0|1,0,1]=4 2514 B7R0.10 O\N=C(\C(=N\O)\C)/C 1P003Q3Z [0,2,0,0,0,0|1,0,1]=4 2515 B7R0.10 SC[C@@H]([C@H](CS)O)O 1P001W0O [0,2,0,0,0,0|0,1,1]=4 2516 B7R0.10 SC[C@H]([C@@H](CS)O)O 1P003596 [0,2,0,0,0,0|0,1,1]=4 2517 B7R0.10 SC[C@H]([C@H](CS)O)O 1P00ICCH [0,2,0,0,0,0|0,1,1]=4 2518 B7R0.10 [C-]#[N+]C(C(=O)OC)C 1P00C94O [0,2,0,0,0,0|1,0,0]=3 2519 B7R0.13 BrCC(C(=O)C)(F)F 1P01DZ6I [0,2,0,0,0,0|2,0,0]=4 2520 B7R0.13 BrCC(C(=O)N)(C)C 1P01F42I [0,2,0,0,0,0|2,0,0]=4 2521 B7R0.13 BrCC(C(=O)O)(C)C 1P00I5SQ [0,2,0,0,0,0|1,0,0]=3 2522 B7R0.13 BrCC(C(=O)O)(F)F 1P001507 [0,2,0,0,0,0|1,0,0]=3 2523 B7R0.13 C#CC(C(=O)Cl)(C)C 1P008UIG [0,2,0,0,0,0|2,0,0]=4 2524 B7R0.13 C#CC(C(=O)O)(C)C 1P00380P [0,2,0,0,0,0|1,0,0]=3 2525 B7R0.13 C=CC(C(=O)O)(C)C 1P0008RY [0,2,0,0,0,0|1,0,0]=3 2526 B7R0.13 C=CC(C(=O)O)(F)F 1P01IXT6 [0,2,0,0,0,0|1,0,1]=4 2527 B7R0.13 CC(C(=O)N)(CC)N 1P01A94H [0,2,0,0,0,0|2,0,0]=4 2528 B7R0.13 CC(C(=O)N)(CC)N 1P01ADWL [0,2,0,0,0,0|2,0,0]=4 2529 B7R0.13 CC(C(=O)O)(C=C)O 1P007JFU [0,2,0,0,0,0|0,0,0]=2 2530 B7R0.13 CC(C(=O)O)(CBr)Br 1P00CNNH [0,2,0,0,0,0|1,0,0]=3 2531 B7R0.13 CC(C(=O)O)(CBr)F 1P0292LL [0,2,0,0,0,0|1,0,0]=3 2532 B7R0.13 CC(C(=O)O)(CC)Br 1P00BY6X [0,2,0,0,0,0|1,0,0]=3 2533 B7R0.13 CC(C(=O)O)(CC)F 1P028RFD [0,2,0,0,0,0|1,0,0]=3 2534 B7R0.13 CC(C(=O)O)(CC)N 1P0072LM [0,2,0,0,0,0|1,0,0]=3 2535 B7R0.13 CC(C(=O)O)(CC)N 1P00FJ8C [0,2,0,0,0,0|1,0,0]=3 2536 B7R0.13 CC(C(=O)O)(CC)O 1P0033ST [0,2,0,0,0,0|0,0,0]=2 2537 B7R0.13 CC(C(=O)O)(CCl)Cl 1P003FYA [0,2,0,0,0,0|1,0,0]=3 2538 B7R0.13 CCC(C(=O)C)(C)C 1P002J2S [0,2,0,0,0,0|2,0,0]=4 2539 B7R0.13 CCC(C(=O)Cl)(C)C 1P003BJY [0,2,0,0,0,0|2,0,0]=4 2540 B7R0.13 CCC(C(=O)N)(C)C 1P0006RV [0,2,0,0,0,0|2,0,0]=4 2541 B7R0.13 CCC(C(=O)O)(C)C 1P003FSB [0,2,0,0,0,0|1,0,0]=3 2542 B7R0.13 CCC(C(=O)O)(F)F 1P002OJF [0,2,0,0,0,0|1,0,0]=3 2543 B7R0.13 CCC(C(O)C)(O)C 1P00F6HA [0,2,0,0,0,0|1,0,1]=4 2544 B7R0.13 CNC(C(=O)N)(C)C 1P01BBOR [0,2,0,0,0,0|2,0,0]=4 2545 B7R0.13 CNC(C(=O)N)(C)C 1P01BCN5 [0,2,0,0,0,0|2,0,0]=4 2546 B7R0.13 CNC(C(=O)O)(C)C 1P0017L1 [0,2,0,0,0,0|1,0,0]=3 2547 B7R0.13 CNC(C(=O)O)(C)C 1P003TM2 [0,2,0,0,0,0|1,0,0]=3 2548 B7R0.13 COC(C(=N)N)(C)C 1P01BRN0 [0,2,0,0,0,0|2,0,0]=4 2549 B7R0.13 COC(C(=N)N)(C)C 1P028LBO [0,2,0,0,0,0|2,0,0]=4 2550 B7R0.13 COC(C(=O)C)(C)C 1P00CS4C [0,2,0,0,0,0|1,0,0]=3 2551 B7R0.13 COC(C(=O)N)(C)C 1P008K10 [0,2,0,0,0,0|1,0,0]=3 2552 B7R0.13 COC(C(=O)O)(C)C 1P00194A [0,2,0,0,0,0|0,0,0]=2 2553 B7R0.13 COC(C(=S)N)(C)C 1P01BCH6 [0,2,0,0,0,0|1,1,0]=4 2554 B7R0.13 CSC(C(=O)O)(C)C 1P01B62J [0,2,0,0,0,0|0,1,0]=3 2555 B7R0.13 C[C@@](C(=O)O)(CBr)O 1P002SLL [0,2,0,0,0,0|0,0,0]=2 2556 B7R0.13 C[C@@](C(=O)O)(CC)N 1P00E3LH [0,2,0,0,0,0|1,0,0]=3 2557 B7R0.13 C[C@@](C(=O)O)(CC)O 1P01GB7L [0,2,0,0,0,0|0,0,0]=2 2558 B7R0.13 C[C@@](C(=O)O)(CS)N 1P001LN9 [0,2,0,0,0,0|0,1,0]=3 2559 B7R0.13 C[C@](C(=O)O)(CBr)O 1P003C5H [0,2,0,0,0,0|0,0,0]=2 2560 B7R0.13 C[C@](C(=O)O)(CC)N 1P00313O [0,2,0,0,0,0|1,0,0]=3 2561 B7R0.13 C[C@](C(=O)O)(CS)N 1P001NIA [0,2,0,0,0,0|0,1,0]=3 2562 B7R0.13 ClCC(C(=O)C)(C)C 1P01C2Z1 [0,2,0,0,0,0|2,0,0]=4 2563 B7R0.13 ClCC(C(=O)O)(C)C 1P003441 [0,2,0,0,0,0|1,0,0]=3 2564 B7R0.13 FCC(C(=O)O)(C)C 1P0037D5 [0,2,0,0,0,0|1,0,0]=3 2565 B7R0.13 FCC(C(=O)O)(F)F 1P01EKKU [0,2,0,0,0,0|1,0,0]=3 2566 B7R0.13 N#CC(C(=O)C)(C)C 1P00CL9C [0,2,0,0,0,0|2,0,0]=4 2567 B7R0.13 N#CC(C(=O)Cl)(C)C 1P006X5E [0,2,0,0,0,0|2,0,0]=4 2568 B7R0.13 N#CC(C(=O)N)(C)C 1P0057R4 [0,2,0,0,0,0|2,0,0]=4 2569 B7R0.13 N#CC(C(=O)O)(C)C 1P007OYG [0,2,0,0,0,0|1,0,0]=3 2570 B7R0.13 NCC(C(=O)N)(C)C 1P003JAS [0,2,0,0,0,0|2,0,0]=4 2571 B7R0.13 NCC(C(=O)N)(F)F 1P01EIHS [0,2,0,0,0,0|2,0,0]=4 2572 B7R0.13 NCC(C(=O)O)(C)C 1P002EZ9 [0,2,0,0,0,0|1,0,0]=3 2573 B7R0.13 NCC(C(=O)O)(C)C 1P003JAT [0,2,0,0,0,0|1,0,0]=3 2574 B7R0.13 NCC(C(=O)O)(F)F 1P000HSK [0,2,0,0,0,0|1,0,0]=3 2575 B7R0.13 NCC(C(=O)O)(F)F 1P00CI0Y [0,2,0,0,0,0|1,0,0]=3 2576 B7R0.13 NCC(C(=O)O)(N)C 1P01BAYD [0,2,0,0,0,0|1,0,0]=3 2577 B7R0.13 NC[C@@](C(=O)O)(N)C 1P027XE1 [0,2,0,0,0,0|1,0,0]=3 2578 B7R0.13 NNC(C(=O)O)(C)C 1P028RCH [0,2,0,0,0,0|1,0,0]=3 2579 B7R0.13 NOC(C(=O)O)(C)C 1P004064 [0,2,0,0,0,0|0,0,0]=2 2580 B7R0.13 OCC(C(=O)C)(C)C 1P00AXPU [0,2,0,0,0,0|1,0,0]=3 2581 B7R0.13 OCC(C(=O)O)(C)C 1P003K1K [0,2,0,0,0,0|0,0,0]=2 2582 B7R0.13 OCC(C(=O)O)(F)F 1P01A4AF [0,2,0,0,0,0|1,0,0]=3 2583 B7R0.13 OCC(C(=O)O)(N)C 1P003GUB [0,2,0,0,0,0|0,0,0]=2 2584 B7R0.13 OCC(C(=O)O)(N)C 1P01C1TD [0,2,0,0,0,0|0,0,0]=2 2585 B7R0.13 OCC(C(=O)O)(O)C 1P0033EN [0,2,0,0,0,0|0,0,0]=2 2586 B7R0.13 OCC(C(O)C)(O)C 1P01DWRZ [0,2,0,0,0,0|0,0,2]=4 2587 B7R0.13 OCC([N+](=O)[O-])(C)C 1P005CSN [0,2,0,0,0,0|1,0,1]=4 2588 B7R0.13 OC[C@@](C(=O)O)(N)C 1P001YE4 [0,2,0,0,0,0|0,0,0]=2 2589 B7R0.13 OC[C@](C(=O)O)(N)C 1P0055UM [0,2,0,0,0,0|0,0,0]=2 2590 B7R0.14 BrCC(=O)C(Br)(C)C 1P019TRT [0,2,0,0,0,0|2,0,0]=4 2591 B7R0.14 BrCC(=O)C(C)(C)C 1P003EMF [0,2,0,0,0,0|2,0,0]=4 2592 B7R0.14 BrCC(=O)C(Cl)(C)C 1P028VT6 [0,2,0,0,0,0|2,0,0]=4 2593 B7R0.14 BrCC(=O)C(F)(C)C 1P027W7H [0,2,0,0,0,0|2,0,0]=4 2594 B7R0.14 BrCC(=O)C(F)(F)C 1P028VHC [0,2,0,0,0,0|2,0,0]=4 2595 B7R0.14 BrCC(=O)C(O)(C)C 1P028O9L [0,2,0,0,0,0|1,0,0]=3 2596 B7R0.14 C=CC(=O)C(C)(C)C 1P00BJ3E [0,2,0,0,0,0|2,0,0]=4 2597 B7R0.14 CCC(=O)C(C)(C)C 1P00ECPR [0,2,0,0,0,0|2,0,0]=4 2598 B7R0.14 CCC(=O)C(S)(C)C 1P027U3A [0,2,0,0,0,0|1,1,0]=4 2599 B7R0.14 CCC(S(=O)(=O)O)C 1P001Y6O [0,2,0,0,0,0|2,0,0]=4 2600 B7R0.14 CCC(S(=O)(=O)[O-])O 1P028KEL [0,2,0,0,0,0|1,0,1]=4 2601 B7R0.14 CNC(=O)C(Br)(C)C 1P005THQ [0,2,0,0,0,0|2,0,0]=4 2602 B7R0.14 CNC(=O)C(C)(C)C 1P003TPC [0,2,0,0,0,0|2,0,0]=4 2603 B7R0.14 CNC(=O)C(N)(C)C 1P00GBU9 [0,2,0,0,0,0|2,0,0]=4 2604 B7R0.14 COC(=N)C(C)(C)C 1P01A71Y [0,2,0,0,0,0|2,0,0]=4 2605 B7R0.14 COC(=O)C(Br)(Br)Br 1P00BYTH [0,2,0,0,0,0|2,0,0]=4 2606 B7R0.14 COC(=O)C(Br)(C)C 1P0035ML [0,2,0,0,0,0|1,0,0]=3 2607 B7R0.14 COC(=O)C(Br)(F)F 1P003SGD [0,2,0,0,0,0|2,0,0]=4 2608 B7R0.14 COC(=O)C(C)(C)C 1P00E9VV [0,2,0,0,0,0|1,0,0]=3 2609 B7R0.14 COC(=O)C(Cl)(C)C 1P01BDCB [0,2,0,0,0,0|1,0,0]=3 2610 B7R0.14 COC(=O)C(Cl)(Cl)C 1P01E39A [0,2,0,0,0,0|1,0,0]=3 2611 B7R0.14 COC(=O)C(Cl)(Cl)F 1P01GDKX [0,2,0,0,0,0|2,0,0]=4 2612 B7R0.14 COC(=O)C(Cl)(F)F 1P001NSC [0,2,0,0,0,0|2,0,0]=4 2613 B7R0.14 COC(=O)C(F)(C)C 1P003S4H [0,2,0,0,0,0|1,0,0]=3 2614 B7R0.14 COC(=O)C(F)(F)C 1P00C74S [0,2,0,0,0,0|1,0,0]=3 2615 B7R0.14 COC(=O)C(F)(F)F 1P00I8RB [0,2,0,0,0,0|2,0,0]=4 2616 B7R0.14 COC(=O)C(N)(C)C 1P00A2K0 [0,2,0,0,0,0|1,0,0]=3 2617 B7R0.14 COC(=O)C(N)(C)C 1P00APYY [0,2,0,0,0,0|1,0,0]=3 2618 B7R0.14 COC(=O)C(O)(C)C 1P002LKW [0,2,0,0,0,0|0,0,0]=2 2619 B7R0.14 COC(=O)C(S)(C)C 1P004PAF [0,2,0,0,0,0|0,1,0]=3 2620 B7R0.14 ClCC(=O)C(C)(C)C 1P003BI7 [0,2,0,0,0,0|2,0,0]=4 2621 B7R0.14 ClCC(=O)C(F)(C)C 1P01BDCF [0,2,0,0,0,0|2,0,0]=4 2622 B7R0.14 ClCC(=O)C(F)(F)C 1P02902D [0,2,0,0,0,0|2,0,0]=4 2623 B7R0.14 ClCC(S(=O)(=O)[O-])O 1P000V7M [0,2,0,0,0,0|1,0,1]=4 2624 B7R0.14 N#CC(=O)C(C)(C)C 1P0071Q8 [0,2,0,0,0,0|2,0,0]=4 2625 B7R0.14 NCC(=O)C(C)(C)C 1P005EY2 [0,2,0,0,0,0|2,0,0]=4 2626 B7R0.14 NCC(=O)C(C)(C)C 1P00BZ0N [0,2,0,0,0,0|2,0,0]=4 2627 B7R0.14 NCC(=O)C(O)(C)C 1P01BUOU [0,2,0,0,0,0|1,0,0]=3 2628 B7R0.14 NCC(C(O)(C)C)O 1P00HHTU [0,2,0,0,0,0|1,0,1]=4 2629 B7R0.14 NNC(=O)C(C)(C)C 1P00I8Q3 [0,2,0,0,0,0|2,0,0]=4 2630 B7R0.14 NNC(=O)C(F)(F)C 1P01BUOT [0,2,0,0,0,0|2,0,0]=4 2631 B7R0.14 NNC(=O)C(O)(C)C 1P00BZKC [0,2,0,0,0,0|1,0,0]=3 2632 B7R0.14 O([2H])C(=O)C([2H])([2H])[2H] 1P003O3O [0,2,0,0,0,0|2,0,0]=4 2633 B7R0.14 O([2H])C(=O)C([2H])([2H])[2H] 1P003OAX [0,2,0,0,0,0|2,0,0]=4 2634 B7R0.14 O([2H])[13C](=O)C([2H])([2H])[2H] 1P00EEY4 [0,2,0,0,0,0|2,0,0]=4 2635 B7R0.14 O=CC(=C)C(C)(C)C 1P005Z0B [0,2,0,0,0,0|2,0,0]=4 2636 B7R0.14 O=CC(=O)C(C)(C)C 1P00DGS3 [0,2,0,0,0,0|1,0,1]=4 2637 B7R0.14 OCC(=O)C(C)(C)C 1P00D4CO [0,2,0,0,0,0|1,0,0]=3 2638 B7R0.14 OCC(C(O)(C)C)C 1P024RUJ [0,2,0,0,0,0|1,0,1]=4 2639 B7R0.14 OCC(P(=O)(O)O)C 1P028PE5 [0,2,0,0,0,0|1,0,0]=3 2640 B7R0.14 OCC(S(=O)(=O)C)C 1P01BHA8 [0,2,0,0,0,0|1,0,1]=4 2641 B7R0.14 OCC(S(=O)(=O)N)C 1P028M1I [0,2,0,0,0,0|1,0,1]=4 2642 B7R0.14 OC[C@@H](C(O)(C)C)C 1P005FOH [0,2,0,0,0,0|1,0,1]=4 2643 B7R0.14 OC[C@@H](S(=O)(=O)N)C 1P027Z0Y [0,2,0,0,0,0|1,0,1]=4 2644 B7R0.14 OC[C@H](S(=O)(=O)N)C 1P027ZRO [0,2,0,0,0,0|1,0,1]=4 2645 B7R0.14 ON=C(C(C)(C)C)C 1P002PS3 [0,2,0,0,0,0|2,0,0]=4 2646 B7R0.14 ONC(=O)C(C)(C)C 1P01AB33 [0,2,0,0,0,0|1,0,0]=3 2647 B7R0.14 ONC(=O)C(N)(C)C 1P01A4A3 [0,2,0,0,0,0|1,0,0]=3 2648 B7R0.14 O\N=C(\C(C)(C)C)/N 1P00C804 [0,2,0,0,0,0|2,0,0]=4 2649 B7R0.14 O\N=C(\C(O)(C)C)/C 1P003K05 [0,2,0,0,0,0|1,0,0]=3 2650 B7R0.14 SCC(=O)C(C)(C)C 1P0089HX [0,2,0,0,0,0|1,1,0]=4 2651 B7R0.15 BrCC(C(=O)O)CBr 1P00342E [0,2,0,0,0,0|1,0,0]=3 2652 B7R0.15 CC(=O)C(=NO)CCl 1P007Z3Y [0,2,0,0,0,0|1,0,1]=4 2653 B7R0.15 CCC(C(=O)C)C#N 1P01BF2U [0,2,0,0,0,0|2,0,0]=4 2654 B7R0.15 CCC(C(=O)C)CC 1P00ECA8 [0,2,0,0,0,0|2,0,0]=4 2655 B7R0.15 CCC(C(=O)Cl)CC 1P0033RE [0,2,0,0,0,0|2,0,0]=4 2656 B7R0.15 CCC(C(=O)N)CC 1P007TDC [0,2,0,0,0,0|2,0,0]=4 2657 B7R0.15 CCC(C(=O)N)NC 1P009E93 [0,2,0,0,0,0|2,0,0]=4 2658 B7R0.15 CCC(C(=O)O)C#N 1P00DUKD [0,2,0,0,0,0|1,0,0]=3 2659 B7R0.15 CCC(C(=O)O)C=C 1P0280ZW [0,2,0,0,0,0|1,0,0]=3 2660 B7R0.15 CCC(C(=O)O)CC 1P003HO8 [0,2,0,0,0,0|1,0,0]=3 2661 B7R0.15 CCC(C(=O)O)CN 1P01AH6Z [0,2,0,0,0,0|1,0,0]=3 2662 B7R0.15 CCC(C(=O)O)NC 1P019XQL [0,2,0,0,0,0|1,0,0]=3 2663 B7R0.15 CCC(C(=O)O)NN 1P001ROF [0,2,0,0,0,0|1,0,0]=3 2664 B7R0.15 CCC(C(=O)O)OC 1P00EE8W [0,2,0,0,0,0|0,0,0]=2 2665 B7R0.15 CCC(C(=O)O)SC 1P01A281 [0,2,0,0,0,0|0,1,0]=3 2666 B7R0.15 CCC(C(=O)[O-])CC 1P003RV0 [0,2,0,0,0,0|1,0,1]=4 2667 B7R0.15 CCC(C(=O)[O-])CO 1P01C65A [0,2,0,0,0,0|0,0,1]=3 2668 B7R0.15 CC[C@@H](C(=O)N)NC 1P01XC7N [0,2,0,0,0,0|2,0,0]=4 2669 B7R0.15 CC[C@@H](C(=O)O)NC 1P0048OD [0,2,0,0,0,0|1,0,0]=3 2670 B7R0.15 CC[C@H](C(=O)O)CN 1P00IV03 [0,2,0,0,0,0|1,0,0]=3 2671 B7R0.15 CC[C@H](C(=O)O)NC 1P028GU2 [0,2,0,0,0,0|1,0,0]=3 2672 B7R0.15 CN[C@@H](C(=O)O)CO 1P006LN1 [0,2,0,0,0,0|0,0,0]=2 2673 B7R0.15 CN[C@H](C(=O)O)CO 1P009WAM [0,2,0,0,0,0|0,0,0]=2 2674 B7R0.15 CN[C@H](C(=O)O)CS 1P009BLQ [0,2,0,0,0,0|0,1,0]=3 2675 B7R0.15 COC(C(=O)C)OC 1P003SKQ [0,2,0,0,0,0|1,0,0]=3 2676 B7R0.15 COC(C(=O)N)OC 1P005COP [0,2,0,0,0,0|1,0,0]=3 2677 B7R0.15 COC(C(=O)O)C=C 1P0276L0 [0,2,0,0,0,0|0,0,1]=3 2678 B7R0.15 COC(C(=O)O)CN 1P01A4AE [0,2,0,0,0,0|0,0,0]=2 2679 B7R0.15 COC(C(=O)O)CO 1P0287BD [0,2,0,0,0,0|0,0,0]=2 2680 B7R0.15 COC(C(=O)O)OC 1P00ICVO [0,2,0,0,0,0|0,0,0]=2 2681 B7R0.15 COC(C(C)C)C=O 1P01AN81 [0,2,0,0,0,0|1,0,1]=4 2682 B7R0.15 COC(C(O)C)OC 1P00CHTQ [0,2,0,0,0,0|0,0,2]=4 2683 B7R0.15 CSC(C(=O)O)CCl 1P028MYD [0,2,0,0,0,0|0,1,0]=3 2684 B7R0.15 CSC(C(=O)O)SC 1P028OBG [0,2,0,0,0,0|0,1,0]=3 2685 B7R0.15 C\C=C(\C(=O)O)/C#N 1P019GTI [0,2,0,0,0,0|1,0,1]=4 2686 B7R0.15 NCC(C(=O)O)C#N 1P0098SH [0,2,0,0,0,0|1,0,0]=3 2687 B7R0.15 NCC(C(=O)O)CN 1P02918B [0,2,0,0,0,0|1,0,0]=3 2688 B7R0.15 NCC(C(=O)O)NC 1P01BI8O [0,2,0,0,0,0|1,0,0]=3 2689 B7R0.15 NC[C@@H](C(=O)O)CO 1P0016D0 [0,2,0,0,0,0|0,0,0]=2 2690 B7R0.15 OCC(C(=O)O)CO 1P006JAW [0,2,0,0,0,0|0,0,0]=2 2691 B7R0.15 OCC(C(O)C)CO 1P006IIX [0,2,0,0,0,0|0,0,2]=4 2692 B7R0.15 OCC([N+](=O)[O-])CO 1P0027GJ [0,2,0,0,0,0|1,0,1]=4 2693 B7R0.15 ON=C(C(=O)O)C#N 1P008NGP [0,2,0,0,0,0|0,0,2]=4 2694 B7R0.17 CC(C(O)(C)C)(O)C 1P0035YA [0,2,0,0,0,0|1,0,1]=4 2695 B7R0.17 CC(P(=O)(O)O)(C)C 1P003V2N [0,2,0,0,0,0|2,0,0]=4 2696 B7R0.17 CC(S(=O)(=O)O)(C)C 1P001Y6N [0,2,0,0,0,0|2,0,0]=4 2697 B7R0.17 CP(=O)(C(O)(C)C)C 1P027Y8D [0,2,0,0,0,0|2,0,0]=4 2698 B5R1.2 BrC1=CCC1 1P028I74 [1,0,0,1,0,0|2,0,0]=4 2699 B5R1.2 BrC1COC1 1P00C0QO [1,0,0,1,0,0|1,0,1]=4 2700 B5R1.2 C1CNC1=O 1P0033LA [1,0,0,1,0,0|1,0,0]=3 2701 B5R1.2 C1COC1=O 1P0037NQ [1,0,0,1,0,0|0,0,0]=2 2702 B5R1.2 C=C1CCC1 1P003SKK [1,0,0,1,0,0|2,0,0]=4 2703 B5R1.2 C=C1COC1 1P01JVBI [1,0,0,1,0,0|2,0,0]=4 2704 B5R1.2 ClC1COC1 1P00DIIS [1,0,0,1,0,0|1,0,1]=4 2705 B5R1.2 IC1COC1 1P002T0O [1,0,0,1,0,0|1,0,1]=4 2706 B5R1.2 NC1COC1 1P0035WN [1,0,0,1,0,0|1,0,1]=4 2707 B5R1.2 NC1COC1 1P00DA6A [1,0,0,1,0,0|1,0,1]=4 2708 B5R1.2 O=C1CCC1 1P000INX [1,0,0,1,0,0|1,0,0]=3 2709 B5R1.2 O=C1CNC1 1P0021IQ [1,0,0,1,0,0|2,0,0]=4 2710 B5R1.2 O=C1COC1 1P0036MN [1,0,0,1,0,0|1,0,0]=3 2711 B5R1.2 O=C1CSC1 1P003V8S [1,0,0,1,0,0|1,1,0]=4 2712 B5R1.2 O=S1CCC1 1P000ZTK [1,0,0,1,0,0|2,0,0]=4 2713 B5R1.2 OC1CCC1 1P002Y3Q [1,0,0,1,0,0|1,0,1]=4 2714 B5R1.2 OC1CNC1 1P00346P [1,0,0,1,0,0|1,0,1]=4 2715 B5R1.2 OC1CNC1 1P00704V [1,0,0,1,0,0|1,0,1]=4 2716 B5R1.2 OC1COC1 1P0035WM [1,0,0,1,0,0|0,0,1]=3 2717 B5R1.2 OC1CSC1 1P007IKA [1,0,0,1,0,0|0,1,1]=4 2718 B5R1.2 SC1COC1 1P003ANX [1,0,0,1,0,0|0,1,1]=4 2719 B5R1.3 BrCC1CO1 1P00384F [1,0,0,1,0,0|1,0,1]=4 2720 B5R1.3 C1OC1C=O 1P005XGG [1,0,0,1,0,0|0,0,0]=2 2721 B5R1.3 C=CC1CC1 1P0060GV [1,0,0,1,0,0|2,0,0]=4 2722 B5R1.3 C=CC1CO1 1P0033ZJ [1,0,0,1,0,0|1,0,0]=3 2723 B5R1.3 C=C[C@@H]1CO1 1P00EI3M [1,0,0,1,0,0|1,0,0]=3 2724 B5R1.3 C=C[C@H]1CO1 1P003D20 [1,0,0,1,0,0|1,0,0]=3 2725 B5R1.3 CCC1CO1 1P0083BM [1,0,0,1,0,0|1,0,1]=4 2726 B5R1.3 CC[C@@H]1CO1 1P0032UL [1,0,0,1,0,0|1,0,1]=4 2727 B5R1.3 CC[C@H]1CO1 1P003150 [1,0,0,1,0,0|1,0,1]=4 2728 B5R1.3 ClCC1CO1 1P003A48 [1,0,0,1,0,0|1,0,1]=4 2729 B5R1.3 ClCC1CO1 1P00G2O5 [1,0,0,1,0,0|1,0,1]=4 2730 B5R1.3 ClC[C@@H]1CO1 1P0032XR [1,0,0,1,0,0|1,0,1]=4 2731 B5R1.3 ClC[C@H]1CO1 1P0032UE [1,0,0,1,0,0|1,0,1]=4 2732 B5R1.3 FCC1CO1 1P0035A3 [1,0,0,1,0,0|1,0,1]=4 2733 B5R1.3 FC[C@@H]1CO1 1P000VEV [1,0,0,1,0,0|1,0,1]=4 2734 B5R1.3 FC[C@H]1CO1 1P004SJY [1,0,0,1,0,0|1,0,1]=4 2735 B5R1.3 O=CC1CC1 1P001LR1 [1,0,0,1,0,0|1,0,0]=3 2736 B5R1.3 OCC1CC1 1P002R60 [1,0,0,1,0,0|1,0,1]=4 2737 B5R1.3 OCC1CO1 1P0037PU [1,0,0,1,0,0|0,0,1]=3 2738 B5R1.3 OC[C@@H]1CO1 1P00393P [1,0,0,1,0,0|0,0,1]=3 2739 B5R1.3 ONC1CC1 1P028DAK [1,0,0,1,0,0|2,0,0]=4 2740 B5R1.4 CC1CC1O 1P01E0DQ [1,0,0,1,0,0|1,0,1]=4 2741 B5R1.4 C[C@@H]1C[C@H]1O 1P028IRA [1,0,0,1,0,0|1,0,1]=4 2742 B5R1.4 C[C@@H]1O[C@@H]1C 1P0021OE [1,0,0,1,0,0|1,0,1]=4 2743 B5R1.4 C[C@@H]1O[C@H]1C 1P003669 [1,0,0,1,0,0|1,0,1]=4 2744 B5R1.4 N[C@@H]1C[C@@H]1O 1P027UM8 [1,0,0,1,0,0|1,0,1]=4 2745 B5R1.4 N[C@@H]1C[C@H]1O 1P027VA4 [1,0,0,1,0,0|1,0,1]=4 2746 B5R1.4 O[C@@H]1C[C@@H]1Cl 1P01DQSZ [1,0,0,1,0,0|1,0,1]=4 2747 B5R1.5 CC1(C)OC1 1P003RJS [1,0,0,1,0,0|1,0,1]=4 2748 B5R1.5 CC1(O)CC1 1P002Z3W [1,0,0,1,0,0|1,0,1]=4 2749 B5R1.5 NC1(O)CC1 1P01I9LK [1,0,0,1,0,0|1,0,1]=4 2750 B7R1.2 BrC1=CC(=O)OC1 1P00EL61 [0,0,0,1,0,1|1,0,1]=4 2751 B7R1.2 CC1=CC(=O)OC1 1P003M8M [0,0,0,1,0,1|1,0,1]=4 2752 B7R1.2 CC1C=CC(=O)O1 1P0034RE [0,0,0,1,0,1|2,0,0]=4 2753 B7R1.2 CC1C=CC(=O)S1 1P006AW5 [0,0,0,1,0,1|2,0,0]=4 2754 B7R1.2 CC1CC(=NO1)N 1P01A3QV [0,0,0,1,0,1|2,0,0]=4 2755 B7R1.2 CC1CC(=O)CN1 1P021X75 [0,0,0,1,0,1|2,0,0]=4 2756 B7R1.2 CC1CC(=O)CS1 1P019UCN [0,0,0,1,0,1|1,1,0]=4 2757 B7R1.2 CC1CC(=O)NC1 1P0039AR [0,0,0,1,0,1|2,0,0]=4 2758 B7R1.2 CC1CC(=O)OC1 1P00ARBT [0,0,0,1,0,1|1,0,0]=3 2759 B7R1.2 CC1CCC(=O)C1 1P0021LM [0,0,0,1,0,1|2,0,0]=4 2760 B7R1.2 CC1CCC(=O)N1 1P0034RL [0,0,0,1,0,1|2,0,0]=4 2761 B7R1.2 CC1CCC(=O)O1 1P0035FE [0,0,0,1,0,1|2,0,0]=4 2762 B7R1.2 CC1CNC(=O)O1 1P007BAB [0,0,0,1,0,1|2,0,0]=4 2763 B7R1.2 CC1COC(=N1)N 1P00G05P [0,0,0,1,0,1|2,0,0]=4 2764 B7R1.2 CC1COC(=O)N1 1P001SNQ [0,0,0,1,0,1|1,0,0]=3 2765 B7R1.2 CC1COC(=O)O1 1P0035ZW [0,0,0,1,0,1|1,0,0]=3 2766 B7R1.2 CC1COS(=O)O1 1P001EW7 [0,0,0,1,0,1|2,0,0]=4 2767 B7R1.2 CC1NNC(=O)C1 1P008YFX [0,0,0,1,0,1|2,0,0]=4 2768 B7R1.2 C[C@@H]1CC(=O)CN1 1P024WZB [0,0,0,1,0,1|2,0,0]=4 2769 B7R1.2 C[C@@H]1CC(=O)CN1 1P028JFG [0,0,0,1,0,1|2,0,0]=4 2770 B7R1.2 C[C@@H]1CC(=O)NC1 1P002RUA [0,0,0,1,0,1|2,0,0]=4 2771 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [0,0,0,1,0,1|2,0,0]=4 2772 B7R1.2 C[C@@H]1CCC(=O)N1 1P00731A [0,0,0,1,0,1|2,0,0]=4 2773 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [0,0,0,1,0,1|2,0,0]=4 2774 B7R1.2 C[C@@H]1CNC(=O)O1 1P00HCN8 [0,0,0,1,0,1|2,0,0]=4 2775 B7R1.2 C[C@@H]1COC(=O)N1 1P0073E0 [0,0,0,1,0,1|1,0,0]=3 2776 B7R1.2 C[C@@H]1COC(=O)O1 1P001WYA [0,0,0,1,0,1|1,0,0]=3 2777 B7R1.2 C[C@H]1CC(=O)CN1 1P024HQB [0,0,0,1,0,1|2,0,0]=4 2778 B7R1.2 C[C@H]1CC(=O)NC1 1P00I6FM [0,0,0,1,0,1|2,0,0]=4 2779 B7R1.2 C[C@H]1CC(=O)OC1 1P00EB7B [0,0,0,1,0,1|1,0,0]=3 2780 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [0,0,0,1,0,1|2,0,0]=4 2781 B7R1.2 C[C@H]1CCC(=O)N1 1P001OOA [0,0,0,1,0,1|2,0,0]=4 2782 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [0,0,0,1,0,1|2,0,0]=4 2783 B7R1.2 C[C@H]1COC(=O)N1 1P00BYK8 [0,0,0,1,0,1|1,0,0]=3 2784 B7R1.2 C[C@H]1COC(=O)O1 1P0032OB [0,0,0,1,0,1|1,0,0]=3 2785 B7R1.2 Cc1cc(=O)[nH]o1 1P00013U [0,0,0,1,0,1|1,0,1]=4 2786 B7R1.2 ClC1COC(=O)O1 1P003PAC [0,0,0,1,0,1|1,0,0]=3 2787 B7R1.2 FC1COC(=O)O1 1P000BSD [0,0,0,1,0,1|1,0,0]=3 2788 B7R1.2 NC1CC(=O)NC1 1P003AG1 [0,0,0,1,0,1|2,0,0]=4 2789 B7R1.2 NC1CC(=O)NC1 1P00H05Z [0,0,0,1,0,1|2,0,0]=4 2790 B7R1.2 NC1CC(=O)OC1 1P00A9OT [0,0,0,1,0,1|1,0,0]=3 2791 B7R1.2 N[C@@H]1CC(=O)NC1 1P0026U9 [0,0,0,1,0,1|2,0,0]=4 2792 B7R1.2 N[C@@H]1CC(=O)OC1 1P000I8A [0,0,0,1,0,1|1,0,0]=3 2793 B7R1.2 N[C@H]1CC(=O)NC1 1P00IL5T [0,0,0,1,0,1|2,0,0]=4 2794 B7R1.2 N[C@H]1CC(=O)OC1 1P000I8B [0,0,0,1,0,1|1,0,0]=3 2795 B7R1.2 O=C1COC(=C1)C 1P00CL5L [0,0,0,1,0,1|1,0,1]=4 2796 B7R1.2 O=C1OCC(=O)C1 1P003V89 [0,0,0,1,0,1|0,0,2]=4 2797 B7R1.2 O=C1OCC(=O)O1 1P01HE65 [0,0,0,1,0,1|0,0,2]=4 2798 B7R1.2 O=C1OCC(=O)[N-]1 1P01C0SH [0,0,0,1,0,1|0,0,2]=4 2799 B7R1.2 OC1=CC(=O)CC1 1P00EEEL [0,0,0,1,0,1|1,0,1]=4 2800 B7R1.2 OC1=CC(=O)NC1 1P00DCWO [0,0,0,1,0,1|1,0,1]=4 2801 B7R1.2 OC1=CC(=O)OC1 1P0034IY [0,0,0,1,0,1|0,0,1]=3 2802 B7R1.2 OC1C=CC(=O)C1 1P00EJSF [0,0,0,1,0,1|1,0,1]=4 2803 B7R1.2 OC1C=CC(=O)O1 1P001CQE [0,0,0,1,0,1|1,0,1]=4 2804 B7R1.2 OC1CC(=O)NC1 1P00BFR9 [0,0,0,1,0,1|1,0,0]=3 2805 B7R1.2 OC1CC(=O)OC1 1P003BUD [0,0,0,1,0,1|0,0,0]=2 2806 B7R1.2 OC1CCC(=O)C1 1P0038LJ [0,0,0,1,0,1|1,0,0]=3 2807 B7R1.2 OC1CCC(=O)O1 1P01HSO8 [0,0,0,1,0,1|1,0,0]=3 2808 B7R1.2 OC1CCC(C1)O 1P003DZ4 [0,0,0,1,0,1|1,0,1]=4 2809 B7R1.2 O[C@@H]1CC(=O)NC1 1P003BFG [0,0,0,1,0,1|1,0,0]=3 2810 B7R1.2 O[C@@H]1CC(=O)OC1 1P003CQZ [0,0,0,1,0,1|0,0,0]=2 2811 B7R1.2 O[C@@H]1CC[C@@H](C1)O 1P001UEV [0,0,0,1,0,1|1,0,1]=4 2812 B7R1.2 O[C@@H]1CC[C@H](C1)O 1P019GHU [0,0,0,1,0,1|1,0,1]=4 2813 B7R1.2 O[C@H]1C=CC(=O)C1 1P00E9HE [0,0,0,1,0,1|1,0,1]=4 2814 B7R1.2 O[C@H]1CC(=O)NC1 1P0032XY [0,0,0,1,0,1|1,0,0]=3 2815 B7R1.2 O[C@H]1CC(=O)OC1 1P005F8J [0,0,0,1,0,1|0,0,0]=2 2816 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1P0286F6 [0,0,0,1,0,1|2,0,0]=4 2817 B7R1.12 CC1=CC1C(=O)O 1P01A35R [0,0,0,1,0,1|1,0,1]=4 2818 B7R1.12 CC1CC1C(=O)C 1P01ALPC [0,0,0,1,0,1|2,0,0]=4 2819 B7R1.12 CC1CC1C(=O)Cl 1P00EII7 [0,0,0,1,0,1|2,0,0]=4 2820 B7R1.12 CC1CC1C(=O)N 1P00GA8W [0,0,0,1,0,1|2,0,0]=4 2821 B7R1.12 CC1CC1C(=O)O 1P002Z71 [0,0,0,1,0,1|1,0,0]=3 2822 B7R1.12 CC1CC1C(=O)O 1P00EK9C [0,0,0,1,0,1|1,0,0]=3 2823 B7R1.12 C[C@@H]1C[C@@H]1C(=O)C 1P028NP2 [0,0,0,1,0,1|2,0,0]=4 2824 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 1P00BJDC [0,0,0,1,0,1|1,0,0]=3 2825 B7R1.12 C[C@@H]1C[C@H]1C(=O)C 1P028MO8 [0,0,0,1,0,1|2,0,0]=4 2826 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 1P00ELZP [0,0,0,1,0,1|1,0,0]=3 2827 B7R1.12 C[C@@H]1O[C@H]1C(=O)O 1P01B6TE [0,0,0,1,0,1|0,0,0]=2 2828 B7R1.12 C[C@H]1C[C@@H]1C(=O)C 1P028O3I [0,0,0,1,0,1|2,0,0]=4 2829 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 1P00ARLC [0,0,0,1,0,1|1,0,0]=3 2830 B7R1.12 C[C@H]1C[C@H]1C(=O)C 1P028FLW [0,0,0,1,0,1|2,0,0]=4 2831 B7R1.12 C[C@H]1C[C@H]1C(=O)O 1P002ZI0 [0,0,0,1,0,1|1,0,0]=3 2832 B7R1.12 F[C@H]1C[C@@H]1C(=O)O 1P009DKG [0,0,0,1,0,1|1,0,0]=3 2833 B7R1.12 F[C@H]1C[C@H]1C(=O)O 1P00HB72 [0,0,0,1,0,1|1,0,0]=3 2834 B7R1.12 NC(=O)[C@H]1C[C@H]1F 1P000PAK [0,0,0,1,0,1|2,0,0]=4 2835 B7R1.12 OC(=O)C1CC1=C 1P01AELS [0,0,0,1,0,1|1,0,1]=4 2836 B7R1.12 OC(=O)C1CC1F 1P001PI5 [0,0,0,1,0,1|1,0,0]=3 2837 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F 1P000X7B [0,0,0,1,0,1|1,0,0]=3 2838 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I 1P01JUSO [0,0,0,1,0,1|1,0,0]=3 2839 B7R1.12 OC(=O)[C@@H]1C[C@H]1Cl 1P028JBO [0,0,0,1,0,1|1,0,0]=3 2840 B7R1.12 OC(=O)[C@@H]1C[C@H]1F 1P001XKM [0,0,0,1,0,1|1,0,0]=3 2841 B7R1.12 OC(=O)[C@H]1C[C@@H]1Br 1P028QME [0,0,0,1,0,1|1,0,0]=3 2842 B7R1.12 OC(=O)[C@H]1C[C@@H]1F 1P001XKL [0,0,0,1,0,1|1,0,0]=3 2843 B7R1.12 OC(=O)[C@H]1C[C@H]1F 1P000X7C [0,0,0,1,0,1|1,0,0]=3 2844 B7R1.12 OC(=O)[C@H]1C[C@H]1I 1P00182G [0,0,0,1,0,1|1,0,0]=3 2845 B7R1.16 O=C1CC(C1)(C)C 1P000ITC [0,0,0,1,0,1|2,0,0]=4 2846 B7R1.16 O=C1CC(C1)(C)N 1P00ILOR [0,0,0,1,0,1|2,0,0]=4 2847 B7R1.16 O=C1CC(N1)(C)C 1P00DP7Y [0,0,0,1,0,1|2,0,0]=4 2848 B7R1.16 OC1CS(=O)(=O)C1 1P006Y5X [0,0,0,1,0,1|1,0,1]=4 2849 B7R1.20 CC(=O)CC1CC1 1P0037WP [0,0,0,1,0,1|2,0,0]=4 2850 B7R1.20 ClC(=O)CC1CC1 1P00DCW4 [0,0,0,1,0,1|2,0,0]=4 2851 B7R1.20 ClC(=O)NC1CC1 1P01DX1E [0,0,0,1,0,1|2,0,0]=4 2852 B7R1.20 ClC(=O)OC1CC1 1P00E2V3 [0,0,0,1,0,1|2,0,0]=4 2853 B7R1.20 NC(=O)CC1CC1 1P0086XZ [0,0,0,1,0,1|2,0,0]=4 2854 B7R1.20 NC(=O)NC1CC1 1P002BDF [0,0,0,1,0,1|2,0,0]=4 2855 B7R1.20 OC(=O)C=C1CC1 1P00F046 [0,0,0,1,0,1|1,0,1]=4 2856 B7R1.20 OC(=O)CC1CC1 1P00395B [0,0,0,1,0,1|1,0,0]=3 2857 B7R1.20 OC(=O)CC1CO1 1P01DYAP [0,0,0,1,0,1|0,0,0]=2 2858 B7R1.4 BrC1=CCCC1O 1P004QOV [0,1,0,1,0,0|2,0,0]=4 2859 B7R1.4 BrC1COCC1O 1P01BI5C [0,1,0,1,0,0|1,0,1]=4 2860 B7R1.4 Br[C@@H]1COC[C@H]1O 1P000BRK [0,1,0,1,0,0|1,0,1]=4 2861 B7R1.4 C=C1CCCC1O 1P002A2S [0,1,0,1,0,0|2,0,0]=4 2862 B7R1.4 C=C1CCOC1=O 1P003O91 [0,1,0,1,0,0|1,0,1]=4 2863 B7R1.4 C=C1COCC1N 1P01FIHO [0,1,0,1,0,0|2,0,0]=4 2864 B7R1.4 C=C1COCC1N 1P01FIHP [0,1,0,1,0,0|2,0,0]=4 2865 B7R1.4 C=C1COCC1O 1P028FM7 [0,1,0,1,0,0|1,0,0]=3 2866 B7R1.4 CC1C=NNC1=O 1P0014T0 [0,1,0,1,0,0|2,0,0]=4 2867 B7R1.4 Cn1ccoc1=O 1P0283EE [0,1,0,1,0,0|2,0,0]=4 2868 B7R1.4 F[C@@H]1COC[C@H]1O 1P00I0ET [0,1,0,1,0,0|1,0,1]=4 2869 B7R1.4 IC1=CCCC1O 1P028YM3 [0,1,0,1,0,0|2,0,0]=4 2870 B7R1.4 NC1CONC1=O 1P00359G [0,1,0,1,0,0|1,0,0]=3 2871 B7R1.4 N[C@@H]1CONC1=O 1P00IC8N [0,1,0,1,0,0|1,0,0]=3 2872 B7R1.4 N[C@H]1CONC1=O 1P0035JY [0,1,0,1,0,0|1,0,0]=3 2873 B7R1.4 O=C1CCC=C1O 1P0036LG [0,1,0,1,0,0|1,0,1]=4 2874 B7R1.4 O=C1CCCC1Br 1P006YX5 [0,1,0,1,0,0|2,0,0]=4 2875 B7R1.4 O=C1CCCC1C 1P008SEF [0,1,0,1,0,0|2,0,0]=4 2876 B7R1.4 O=C1CCCC1Cl 1P005MKG [0,1,0,1,0,0|2,0,0]=4 2877 B7R1.4 O=C1CCCC1N 1P00J8QM [0,1,0,1,0,0|2,0,0]=4 2878 B7R1.4 O=C1CCCC1O 1P00DLEF [0,1,0,1,0,0|1,0,0]=3 2879 B7R1.4 O=C1CCC[C@H]1F 1P028FZZ [0,1,0,1,0,0|2,0,0]=4 2880 B7R1.4 O=C1CCNC1C 1P02877G [0,1,0,1,0,0|2,0,0]=4 2881 B7R1.4 O=C1CCOC1C 1P003V5J [0,1,0,1,0,0|1,0,0]=3 2882 B7R1.4 O=C1CCSC1C 1P0012U4 [0,1,0,1,0,0|1,1,0]=4 2883 B7R1.4 O=C1COCC1C 1P01B6KD [0,1,0,1,0,0|1,0,0]=3 2884 B7R1.4 O=C1CSCC1C 1P006YBW [0,1,0,1,0,0|1,1,0]=4 2885 B7R1.4 O=C1NCCC1Br 1P00C7B0 [0,1,0,1,0,0|2,0,0]=4 2886 B7R1.4 O=C1NCCC1C 1P00BDOY [0,1,0,1,0,0|2,0,0]=4 2887 B7R1.4 O=C1NCCC1Cl 1P00KB6W [0,1,0,1,0,0|2,0,0]=4 2888 B7R1.4 O=C1NCCC1F 1P024NNW [0,1,0,1,0,0|2,0,0]=4 2889 B7R1.4 O=C1NCCC1N 1P000IFA [0,1,0,1,0,0|2,0,0]=4 2890 B7R1.4 O=C1NCCC1O 1P00ACH1 [0,1,0,1,0,0|1,0,0]=3 2891 B7R1.4 O=C1NCC[C@@H]1F 1P0204HG [0,1,0,1,0,0|2,0,0]=4 2892 B7R1.4 O=C1NCC[C@@H]1N 1P0037IQ [0,1,0,1,0,0|2,0,0]=4 2893 B7R1.4 O=C1NCC[C@@H]1N 1P00737U [0,1,0,1,0,0|2,0,0]=4 2894 B7R1.4 O=C1NCC[C@@H]1O 1P003D2P [0,1,0,1,0,0|1,0,0]=3 2895 B7R1.4 O=C1NCC[C@H]1C 1P01DXX5 [0,1,0,1,0,0|2,0,0]=4 2896 B7R1.4 O=C1NCC[C@H]1F 1P00K9Y2 [0,1,0,1,0,0|2,0,0]=4 2897 B7R1.4 O=C1NCC[C@H]1N 1P0036IE [0,1,0,1,0,0|2,0,0]=4 2898 B7R1.4 O=C1NCC[C@H]1N 1P006Z7M [0,1,0,1,0,0|2,0,0]=4 2899 B7R1.4 O=C1NCC[C@H]1O 1P003717 [0,1,0,1,0,0|1,0,0]=3 2900 B7R1.4 O=C1OC=CC1Br 1P0056VE [0,1,0,1,0,0|1,0,1]=4 2901 B7R1.4 O=C1OCC=C1C 1P003K5L [0,1,0,1,0,0|1,0,1]=4 2902 B7R1.4 O=C1OCC=C1Cl 1P0032D1 [0,1,0,1,0,0|1,0,1]=4 2903 B7R1.4 O=C1OCC=C1N 1P00I73J [0,1,0,1,0,0|1,0,1]=4 2904 B7R1.4 O=C1OCCC1Br 1P003VWE [0,1,0,1,0,0|1,0,0]=3 2905 B7R1.4 O=C1OCCC1C 1P0039WP [0,1,0,1,0,0|1,0,0]=3 2906 B7R1.4 O=C1OCCC1N 1P000ISK [0,1,0,1,0,0|1,0,0]=3 2907 B7R1.4 O=C1OCCC1N 1P0039XO [0,1,0,1,0,0|1,0,0]=3 2908 B7R1.4 O=C1OCCC1N 1P003O8H [0,1,0,1,0,0|1,0,0]=3 2909 B7R1.4 O=C1OCCC1O 1P00I3IV [0,1,0,1,0,0|0,0,0]=2 2910 B7R1.4 O=C1OCCC1S 1P001CQF [0,1,0,1,0,0|0,1,0]=3 2911 B7R1.4 O=C1OCCN1C 1P002BY1 [0,1,0,1,0,0|2,0,0]=4 2912 B7R1.4 O=C1OCCN1N 1P00341H [0,1,0,1,0,0|2,0,0]=4 2913 B7R1.4 O=C1OCC[C@@H]1N 1P003CUP [0,1,0,1,0,0|1,0,0]=3 2914 B7R1.4 O=C1OCC[C@@H]1N 1P00I4P8 [0,1,0,1,0,0|1,0,0]=3 2915 B7R1.4 O=C1OCC[C@@H]1O 1P00DEAA [0,1,0,1,0,0|0,0,0]=2 2916 B7R1.4 O=C1OCC[C@H]1N 1P00355Q [0,1,0,1,0,0|1,0,0]=3 2917 B7R1.4 O=C1OCC[C@H]1N 1P00DJY6 [0,1,0,1,0,0|1,0,0]=3 2918 B7R1.4 O=C1OCC[C@H]1O 1P0032VV [0,1,0,1,0,0|0,0,0]=2 2919 B7R1.4 O=C1O[Ba]OC1=O 1P003OG2 [0,1,0,1,0,0|1,0,1]=4 2920 B7R1.4 O=C1O[Cu]OC1=O 1P003PK0 [0,1,0,1,0,0|1,0,1]=4 2921 B7R1.4 O=C1O[Mg]OC1=O 1P003RVS [0,1,0,1,0,0|1,0,1]=4 2922 B7R1.4 O=C1O[Ni]OC1=O 1P000WXR [0,1,0,1,0,0|1,0,1]=4 2923 B7R1.4 O=C1SCCC1N 1P003A2J [0,1,0,1,0,0|1,1,0]=4 2924 B7R1.4 O=C1SCC[C@@H]1N 1P00BYQS [0,1,0,1,0,0|1,1,0]=4 2925 B7R1.4 OC1CCCC1O 1P003DTU [0,1,0,1,0,0|1,0,1]=4 2926 B7R1.4 OC1CCOC1C 1P01ADF1 [0,1,0,1,0,0|1,0,1]=4 2927 B7R1.4 OC1CNCC1O 1P019ZAG [0,1,0,1,0,0|1,0,1]=4 2928 B7R1.4 OC1CNCC1O 1P01BEZ4 [0,1,0,1,0,0|1,0,1]=4 2929 B7R1.4 OC1COCC1N 1P000W1Z [0,1,0,1,0,0|1,0,1]=4 2930 B7R1.4 OC1COCC1N 1P001KPS [0,1,0,1,0,0|1,0,1]=4 2931 B7R1.4 OC1COCC1O 1P003IYI [0,1,0,1,0,0|0,0,2]=4 2932 B7R1.4 O[C@@H]1CCC[C@@H]1O 1P00DCJ3 [0,1,0,1,0,0|1,0,1]=4 2933 B7R1.4 O[C@@H]1CCC[C@H]1O 1P003BES [0,1,0,1,0,0|1,0,1]=4 2934 B7R1.4 O[C@@H]1CNC[C@@H]1O 1P0039YU [0,1,0,1,0,0|1,0,1]=4 2935 B7R1.4 O[C@@H]1CNC[C@H]1O 1P003APN [0,1,0,1,0,0|1,0,1]=4 2936 B7R1.4 O[C@@H]1CNC[C@H]1O 1P00ADCF [0,1,0,1,0,0|1,0,1]=4 2937 B7R1.4 O[C@@H]1COC[C@@H]1N 1P00DWPL [0,1,0,1,0,0|1,0,1]=4 2938 B7R1.4 O[C@@H]1COC[C@@H]1N 1P00ILJZ [0,1,0,1,0,0|1,0,1]=4 2939 B7R1.4 O[C@@H]1COC[C@@H]1O 1P003ACE [0,1,0,1,0,0|0,0,2]=4 2940 B7R1.4 O[C@@H]1COC[C@H]1C 1P028HPJ [0,1,0,1,0,0|1,0,1]=4 2941 B7R1.4 O[C@@H]1COC[C@H]1N 1P003AXA [0,1,0,1,0,0|1,0,1]=4 2942 B7R1.4 O[C@@H]1COC[C@H]1N 1P01BD0K [0,1,0,1,0,0|1,0,1]=4 2943 B7R1.4 O[C@H]1CCC[C@@H]1O 1P00E936 [0,1,0,1,0,0|1,0,1]=4 2944 B7R1.4 O[C@H]1CNC[C@@H]1O 1P002UW7 [0,1,0,1,0,0|1,0,1]=4 2945 B7R1.4 O[C@H]1CNC[C@@H]1O 1P006E9R [0,1,0,1,0,0|1,0,1]=4 2946 B7R1.4 O[C@H]1COC[C@@H]1C 1P00I856 [0,1,0,1,0,0|1,0,1]=4 2947 B7R1.4 O[C@H]1COC[C@@H]1N 1P002FAF [0,1,0,1,0,0|1,0,1]=4 2948 B7R1.4 O[C@H]1COC[C@@H]1N 1P00BFVI [0,1,0,1,0,0|1,0,1]=4 2949 B7R1.4 O[C@H]1COC[C@@H]1N 1P00C780 [0,1,0,1,0,0|1,0,1]=4 2950 B7R1.4 O[C@H]1COC[C@@H]1O 1P004ZNU [0,1,0,1,0,0|0,0,2]=4 2951 B7R1.4 O[C@H]1COC[C@H]1C 1P027N5M [0,1,0,1,0,0|1,0,1]=4 2952 B7R1.4 O[C@H]1COC[C@H]1N 1P00AEA6 [0,1,0,1,0,0|1,0,1]=4 2953 B7R1.4 Oc1cnoc1C 1P027UVL [0,1,0,1,0,0|1,0,1]=4 2954 B7R1.8 CCC1CCC1=O 1P008TOV [0,1,0,1,0,0|2,0,0]=4 2955 B7R1.8 CNC1CNC1=O 1P028A60 [0,1,0,1,0,0|2,0,0]=4 2956 B7R1.8 COC1CCC1=O 1P01JVE1 [0,1,0,1,0,0|1,0,0]=3 2957 B7R1.8 CO[C@@H]1CC[C@H]1O 1P0290K0 [0,1,0,1,0,0|1,0,1]=4 2958 B7R1.8 CSC1CCC1=O 1P01C4DE [0,1,0,1,0,0|1,1,0]=4 2959 B7R1.8 OCC1CCC1=O 1P00I4ZH [0,1,0,1,0,0|1,0,0]=3 2960 B7R1.8 OC[C@@H]1CC[C@H]1O 1P027UXG [0,1,0,1,0,0|1,0,1]=4 2961 B7R1.8 OC[C@@H]1NC[C@H]1O 1P028XO4 [0,1,0,1,0,0|1,0,1]=4 2962 B7R1.15 CC1C(=O)CC1=O 1P01EIR4 [0,1,0,1,0,0|1,0,1]=4 2963 B7R1.15 CC1C(C)CC1=O 1P00CVG5 [0,1,0,1,0,0|2,0,0]=4 2964 B7R1.15 CC1C(O)CC1O 1P028A9J [0,1,0,1,0,0|1,0,1]=4 2965 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 1P01KA9U [0,1,0,1,0,0|2,0,0]=4 2966 B7R1.15 NC1C(O)CC1O 1P028T5Q [0,1,0,1,0,0|1,0,1]=4 2967 B7R1.15 N[C@@H]1C[C@H]([C@@H]1O)O 1P0293V6 [0,1,0,1,0,0|1,0,1]=4 2968 B7R1.15 N[C@@H]1[C@@H](O)C[C@H]1O 1P027XXU [0,1,0,1,0,0|1,0,1]=4 2969 B7R1.17 O=C1CCC1(Br)Br 1P01XFO2 [0,1,0,1,0,0|2,0,0]=4 2970 B7R1.17 O=C1CCC1(C)C 1P000PMW [0,1,0,1,0,0|2,0,0]=4 2971 B7R1.17 O=C1COC1(C)C 1P00ILW0 [0,1,0,1,0,0|1,0,0]=3 2972 B7R1.17 O=C1NCC1(C)C 1P005SY2 [0,1,0,1,0,0|2,0,0]=4 2973 B7R1.17 O=C1OCC1(C)C 1P00AEIM [0,1,0,1,0,0|1,0,0]=3 2974 B7R1.18 CC(=O)C1CCC1 1P003PKG [0,1,0,1,0,0|2,0,0]=4 2975 B7R1.18 CC(=O)C1CNC1 1P00A20O [0,1,0,1,0,0|2,0,0]=4 2976 B7R1.18 CC(=O)C1COC1 1P01DY8T [0,1,0,1,0,0|1,0,0]=3 2977 B7R1.18 CC(=O)C1CSC1 1P01E9GS [0,1,0,1,0,0|1,1,0]=4 2978 B7R1.18 CC(C1CCO1)O 1P028OAM [0,1,0,1,0,0|1,0,1]=4 2979 B7R1.18 CC(C1COC1)O 1P01DXSB [0,1,0,1,0,0|1,0,1]=4 2980 B7R1.18 C[C@@H](C1COC1)O 1P01JV3Q [0,1,0,1,0,0|1,0,1]=4 2981 B7R1.18 C[C@H](C1COC1)O 1P01XADG [0,1,0,1,0,0|1,0,1]=4 2982 B7R1.18 ClC(=O)C1CCC1 1P00353Y [0,1,0,1,0,0|2,0,0]=4 2983 B7R1.18 NC(=O)C1CCC1 1P001MYW [0,1,0,1,0,0|2,0,0]=4 2984 B7R1.18 NC(=O)C1CCN1 1P000VNK [0,1,0,1,0,0|2,0,0]=4 2985 B7R1.18 NC(=O)C1CNC1 1P000N1N [0,1,0,1,0,0|2,0,0]=4 2986 B7R1.18 NC(=O)C1CNC1 1P008PMO [0,1,0,1,0,0|2,0,0]=4 2987 B7R1.18 NC(=O)C1COC1 1P01DGLG [0,1,0,1,0,0|1,0,0]=3 2988 B7R1.18 NC(=O)[C@@H]1CCN1 1P01G17Q [0,1,0,1,0,0|2,0,0]=4 2989 B7R1.18 OC(=O)C1=CCC1 1P00BJ3Y [0,1,0,1,0,0|1,0,1]=4 2990 B7R1.18 OC(=O)C1CCC1 1P00353Z [0,1,0,1,0,0|1,0,0]=3 2991 B7R1.18 OC(=O)C1CCN1 1P002R80 [0,1,0,1,0,0|1,0,0]=3 2992 B7R1.18 OC(=O)C1CCO1 1P0036EM [0,1,0,1,0,0|0,0,0]=2 2993 B7R1.18 OC(=O)C1CNC1 1P0008FD [0,1,0,1,0,0|1,0,0]=3 2994 B7R1.18 OC(=O)C1CNC1 1P003429 [0,1,0,1,0,0|1,0,0]=3 2995 B7R1.18 OC(=O)C1COC1 1P000AR0 [0,1,0,1,0,0|0,0,0]=2 2996 B7R1.18 OC(=O)C1CSC1 1P005KXP [0,1,0,1,0,0|0,1,0]=3 2997 B7R1.18 OC(=O)[C@@H]1CCN1 1P003827 [0,1,0,1,0,0|1,0,0]=3 2998 B7R1.18 OC(=O)[C@@H]1CCO1 1P01JUQJ [0,1,0,1,0,0|0,0,0]=2 2999 B7R1.18 OC(=O)[C@H]1CCN1 1P005DGN [0,1,0,1,0,0|1,0,0]=3 3000 B7R1.18 OC(=O)[C@H]1CCN1 1P00EIWE [0,1,0,1,0,0|1,0,0]=3 3001 B7R1.18 OC(=O)[C@H]1CCO1 1P01JUNT [0,1,0,1,0,0|0,0,0]=2 3002 B7R1.18 [O-][N+](=O)C1COC1 1P01DY7M [0,1,0,1,0,0|1,0,1]=4 3003 B7R1.19 CC(=O)C1(Br)CC1 1P00EIF5 [0,1,0,1,0,0|2,0,0]=4 3004 B7R1.19 CC(=O)C1(C)CC1 1P001PDI [0,1,0,1,0,0|2,0,0]=4 3005 B7R1.19 CC(=O)C1(C)CO1 1P00DD7J [0,1,0,1,0,0|1,0,0]=3 3006 B7R1.19 CC(=O)C1(Cl)CC1 1P0039TS [0,1,0,1,0,0|2,0,0]=4 3007 B7R1.19 CC(=O)C1(F)CC1 1P00ELCH [0,1,0,1,0,0|2,0,0]=4 3008 B7R1.19 CC(=O)C1(N)CC1 1P01C30Z [0,1,0,1,0,0|2,0,0]=4 3009 B7R1.19 CC1(CO1)C(=O)O 1P003B26 [0,1,0,1,0,0|0,0,0]=2 3010 B7R1.19 ClC(=O)C1(C)CC1 1P0038FK [0,1,0,1,0,0|2,0,0]=4 3011 B7R1.19 ClC(=O)C1(F)CC1 1P01OO89 [0,1,0,1,0,0|2,0,0]=4 3012 B7R1.19 FC1(CC1)S(=O)O 1P027OFQ [0,1,0,1,0,0|2,0,0]=4 3013 B7R1.19 NC(=O)C1(Br)CC1 1P002C6O [0,1,0,1,0,0|2,0,0]=4 3014 B7R1.19 NC(=O)C1(C)CC1 1P001QXO [0,1,0,1,0,0|2,0,0]=4 3015 B7R1.19 NC(=O)C1(F)CC1 1P024TSB [0,1,0,1,0,0|2,0,0]=4 3016 B7R1.19 NC(=O)C1(N)CC1 1P0013ML [0,1,0,1,0,0|2,0,0]=4 3017 B7R1.19 NC(=O)C1(N)CC1 1P00I6M9 [0,1,0,1,0,0|2,0,0]=4 3018 B7R1.19 OC(=O)C1(Br)CC1 1P0087LA [0,1,0,1,0,0|1,0,0]=3 3019 B7R1.19 OC(=O)C1(C)CC1 1P003793 [0,1,0,1,0,0|1,0,0]=3 3020 B7R1.19 OC(=O)C1(Cl)CC1 1P01ALB2 [0,1,0,1,0,0|1,0,0]=3 3021 B7R1.19 OC(=O)C1(F)CC1 1P0013A5 [0,1,0,1,0,0|1,0,0]=3 3022 B7R1.19 OC(=O)C1(I)CC1 1P028GK9 [0,1,0,1,0,0|1,0,0]=3 3023 B7R1.19 OC(=O)C1(N)CC1 1P003350 [0,1,0,1,0,0|1,0,0]=3 3024 B7R1.19 OC(=O)C1(N)CC1 1P006HMC [0,1,0,1,0,0|1,0,0]=3 3025 B7R1.19 OC(=O)C1(O)CC1 1P0021XR [0,1,0,1,0,0|0,0,0]=2 3026 B7R1.22 BrCC(=O)C1CC1 1P0033LH [0,1,0,1,0,0|2,0,0]=4 3027 B7R1.22 C#CC(=O)C1CC1 1P027Y5N [0,1,0,1,0,0|2,0,0]=4 3028 B7R1.22 C=CC(=O)C1CC1 1P00ESOF [0,1,0,1,0,0|2,0,0]=4 3029 B7R1.22 CCC(=O)C1CC1 1P00FHR5 [0,1,0,1,0,0|2,0,0]=4 3030 B7R1.22 CNC(=O)C1CC1 1P0060X3 [0,1,0,1,0,0|2,0,0]=4 3031 B7R1.22 COC(=N)C1CC1 1P005T3M [0,1,0,1,0,0|2,0,0]=4 3032 B7R1.22 COC(=O)C1CC1 1P002WJH [0,1,0,1,0,0|1,0,0]=3 3033 B7R1.22 COC(=O)C1CN1 1P003SFZ [0,1,0,1,0,0|1,0,0]=3 3034 B7R1.22 COC(=O)C1CO1 1P0036AI [0,1,0,1,0,0|0,0,0]=2 3035 B7R1.22 COC(=O)[C@@H]1CO1 1P0035LP [0,1,0,1,0,0|0,0,0]=2 3036 B7R1.22 COC(=O)[C@H]1CO1 1P0035LN [0,1,0,1,0,0|0,0,0]=2 3037 B7R1.22 COC(=S)C1CC1 1P01FL50 [0,1,0,1,0,0|1,1,0]=4 3038 B7R1.22 ClCC(=O)C1CC1 1P005KYK [0,1,0,1,0,0|2,0,0]=4 3039 B7R1.22 FCC(=O)C1CC1 1P00CZHZ [0,1,0,1,0,0|2,0,0]=4 3040 B7R1.22 NCC(=O)C1CC1 1P01A4QP [0,1,0,1,0,0|2,0,0]=4 3041 B7R1.22 NNC(=O)C1CC1 1P005XS9 [0,1,0,1,0,0|2,0,0]=4 3042 B7R1.22 OCC(=O)C1CC1 1P019ZQ5 [0,1,0,1,0,0|1,0,0]=3 3043 B7R1.22 ONC(=N)C1CC1 1P002M00 [0,1,0,1,0,0|2,0,0]=4 3044 B7R1.22 ONC(=N)C1CC1 1P003PNI [0,1,0,1,0,0|2,0,0]=4 3045 B7R1.22 ONC(=O)C1CC1 1P019U87 [0,1,0,1,0,0|1,0,0]=3 3046 B7R1.23 O=CC1OC1(C)C 1P01B68F [0,1,0,1,0,0|1,0,1]=4 3047 B7R1.26 CC(C1OC1)(O)C 1P01DZP3 [0,1,0,1,0,0|1,0,1]=4 3048 B7R1.26 CP(=O)(C1OC1)C 1P028TY4 [0,1,0,1,0,0|2,0,0]=4 3049 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [0,0,0,0,0,2|1,0,1]=4 3050 B7R0.6 CC(=O)C=CC(=O)O 1P003414 [0,0,0,0,0,2|0,0,2]=4 3051 B7R0.6 CC(=O)CCC(=O)O 1P000KEL [0,0,0,0,0,2|0,0,2]=4 3052 B7R0.6 CC(=O)COC(C)C 1P0071XC [0,0,0,0,0,2|2,0,0]=4 3053 B7R0.6 CC(=O)NCC(=O)O 1P0033J8 [0,0,0,0,0,2|0,0,2]=4 3054 B7R0.6 CC(=O)OCC(=O)O 1P0018ZE [0,0,0,0,0,2|0,0,2]=4 3055 B7R0.6 CC(=O)SCC(=O)O 1P000PI2 [0,0,0,0,0,2|0,0,2]=4 3056 B7R0.6 CC(C#CC(=O)O)C 1P01ANWI [0,0,0,0,0,2|1,0,0]=3 3057 B7R0.6 CC(C#CC(=O)O)N 1P0284K5 [0,0,0,0,0,2|1,0,0]=3 3058 B7R0.6 CC(C#CC(O)C)O 1P00303A [0,0,0,0,0,2|1,0,1]=4 3059 B7R0.6 CC(C=CC(=O)C)C 1P003NC7 [0,0,0,0,0,2|2,0,0]=4 3060 B7R0.6 CC(C=CC(=O)O)C 1P003M70 [0,0,0,0,0,2|1,0,0]=3 3061 B7R0.6 CC(CCC(=C)C)O 1P006YC2 [0,0,0,0,0,2|2,0,0]=4 3062 B7R0.6 CC(CCC(=O)C)C 1P003NBT [0,0,0,0,0,2|2,0,0]=4 3063 B7R0.6 CC(CCC(=O)C)Cl 1P0007YL [0,0,0,0,0,2|2,0,0]=4 3064 B7R0.6 CC(CCC(=O)Cl)C 1P003M9S [0,0,0,0,0,2|2,0,0]=4 3065 B7R0.6 CC(CCC(=O)Cl)Cl 1P00IBOS [0,0,0,0,0,2|2,0,0]=4 3066 B7R0.6 CC(CCC(=O)N)C 1P007DVM [0,0,0,0,0,2|2,0,0]=4 3067 B7R0.6 CC(CCC(=O)O)Br 1P01A4B3 [0,0,0,0,0,2|1,0,0]=3 3068 B7R0.6 CC(CCC(=O)O)C 1P003M9R [0,0,0,0,0,2|1,0,0]=3 3069 B7R0.6 CC(CCC(=O)O)N 1P001A2N [0,0,0,0,0,2|1,0,0]=3 3070 B7R0.6 CC(CCC(=O)O)N 1P01AKAQ [0,0,0,0,0,2|1,0,0]=3 3071 B7R0.6 CC(CCC(=O)O)O 1P0038KW [0,0,0,0,0,2|0,0,0]=2 3072 B7R0.6 CC(CCC(=O)O)S 1P000P7Q [0,0,0,0,0,2|0,1,0]=3 3073 B7R0.6 CC(CCC(=O)[O-])O 1P003BDK [0,0,0,0,0,2|0,0,1]=3 3074 B7R0.6 CC(CCC(O)C)O 1P002YLC [0,0,0,0,0,2|1,0,1]=4 3075 B7R0.6 CC(CNC(=O)C)O 1P00719V [0,0,0,0,0,2|1,0,0]=3 3076 B7R0.6 CC(CNC(=O)N)C 1P003RJM [0,0,0,0,0,2|2,0,0]=4 3077 B7R0.6 CC(NCC(=O)C)C 1P01ANL3 [0,0,0,0,0,2|2,0,0]=4 3078 B7R0.6 CC(NCC(=O)N)C 1P00G7RH [0,0,0,0,0,2|2,0,0]=4 3079 B7R0.6 CC(NCC(=O)N)C 1P019JUE [0,0,0,0,0,2|2,0,0]=4 3080 B7R0.6 CC(NCC(=O)O)C 1P00C901 [0,0,0,0,0,2|1,0,0]=3 3081 B7R0.6 CC(NCC(=O)O)C 1P019MFH [0,0,0,0,0,2|1,0,0]=3 3082 B7R0.6 CC(NNC(=O)C)C 1P00DBJA [0,0,0,0,0,2|2,0,0]=4 3083 B7R0.6 CC(OCC(=O)Cl)C 1P01E7J0 [0,0,0,0,0,2|2,0,0]=4 3084 B7R0.6 CC(OCC(=O)O)C 1P007FU5 [0,0,0,0,0,2|1,0,0]=3 3085 B7R0.6 CC(SCC(=O)O)C 1P006WX6 [0,0,0,0,0,2|1,0,0]=3 3086 B7R0.6 CC(\C=C\C(=O)O)C 1P001XCU [0,0,0,0,0,2|1,0,0]=3 3087 B7R0.6 CN(CCC(=O)O)C 1P001FQ6 [0,0,0,0,0,2|2,0,0]=4 3088 B7R0.6 CN(CCC(=O)O)C 1P00E97T [0,0,0,0,0,2|2,0,0]=4 3089 B7R0.6 CS(=O)CCC(=O)O 1P001DGF [0,0,0,0,0,2|1,0,1]=4 3090 B7R0.6 C[C@@H](CCC(=O)O)N 1P028SQ6 [0,0,0,0,0,2|1,0,0]=3 3091 B7R0.6 C[C@@H](CC[C@@H](O)C)O 1P003C6C [0,0,0,0,0,2|1,0,1]=4 3092 B7R0.6 C[C@H](CCC(=O)O)N 1P01P6YP [0,0,0,0,0,2|1,0,0]=3 3093 B7R0.6 C[C@H](CCC(=O)O)S 1P028IQP [0,0,0,0,0,2|0,1,0]=3 3094 B7R0.6 C[C@H](CC[C@H](O)C)O 1P003C58 [0,0,0,0,0,2|1,0,1]=4 3095 B7R0.6 C[S+](CCC(=O)O)C 1P002KXE [0,0,0,0,0,2|2,0,0]=4 3096 B7R0.6 C[S+](CCC(=O)O)C 1P003C35 [0,0,0,0,0,2|2,0,0]=4 3097 B7R0.6 ClC(CCC(=O)O)Cl 1P01BSXU [0,0,0,0,0,2|2,0,0]=4 3098 B7R0.6 FC(C#CC(=O)O)F 1P01DRX5 [0,0,0,0,0,2|2,0,0]=4 3099 B7R0.6 FC(CCC(=O)O)F 1P006BJ8 [0,0,0,0,0,2|2,0,0]=4 3100 B7R0.6 FC(OCC(=O)O)F 1P01BECR [0,0,0,0,0,2|2,0,0]=4 3101 B7R0.6 FC(SCC(=O)O)F 1P01DXRY [0,0,0,0,0,2|2,0,0]=4 3102 B7R0.6 FC(\C=C\C(=O)O)F 1P01DN4R [0,0,0,0,0,2|2,0,0]=4 3103 B7R0.6 OB(CCC(=O)O)O 1P01B8PX [0,0,0,0,0,2|2,0,0]=4 3104 B7R0.6 OC(=O)C#CC(=O)O 1P003O4J [0,0,0,0,0,2|1,0,1]=4 3105 B7R0.6 OC(=O)C=C=C(C)C 1P01GKTU [0,0,0,0,0,2|1,0,1]=4 3106 B7R0.6 OC(=O)CC=C(C)C 1P00389R [0,0,0,0,0,2|1,0,1]=4 3107 B7R0.6 OC(=O)CCC(=O)O 1P003UWX [0,0,0,0,0,2|1,0,1]=4 3108 B7R0.6 OC(=O)CCC(=O)O 1P00BCU9 [0,0,0,0,0,2|1,0,1]=4 3109 B7R0.6 OC(=O)CCC(=O)O 1P00I4UF [0,0,0,0,0,2|1,0,1]=4 3110 B7R0.6 OC(=O)CCC(=O)O 1P00I5VN [0,0,0,0,0,2|1,0,1]=4 3111 B7R0.6 OC(=O)CNC(=S)C 1P00IN1C [0,0,0,0,0,2|0,1,1]=4 3112 B7R0.6 OC(=O)\C=C/C(=O)O 1P0039G6 [0,0,0,0,0,2|1,0,1]=4 3113 B7R0.6 OC(=O)\C=C/C(=O)O 1P003RW7 [0,0,0,0,0,2|1,0,1]=4 3114 B7R0.6 OC(=O)\C=C/C(=O)O 1P00FASS [0,0,0,0,0,2|1,0,1]=4 3115 B7R0.6 OC(=O)\C=C\C(=O)O 1P001G63 [0,0,0,0,0,2|1,0,1]=4 3116 B7R0.6 OC(=O)\C=C\C(=O)O 1P002JTO [0,0,0,0,0,2|1,0,1]=4 3117 B7R0.6 OC(=O)\C=C\C(=O)O 1P0035F6 [0,0,0,0,0,2|1,0,1]=4 3118 B7R0.6 OC(=O)\C=C\C(=O)O 1P00BCCL [0,0,0,0,0,2|1,0,1]=4 3119 B7R0.6 OC(=O)\C=C\C(=O)O 1P00G4L9 [0,0,0,0,0,2|1,0,1]=4 3120 B7R0.6 OC(=O)\C=C\C(=O)O 1P00IM4G [0,0,0,0,0,2|1,0,1]=4