0 B4R0.1 C(=O)C(C)O C05999 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C(=O)N(C)C C03134 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C=C(C)CCl C19363 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C=CC(=C)C C16521 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 C=CC(C)=O C20701 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 CC(=O)C=O C00546 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CC(=O)CN C01888 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.1 CC(=O)CO C05235 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(=O)NN C07447 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(=O)NO C06808 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 CC(C)=CCl C19206 [0,0,0,0,0,0|1,0,2]=3 11 B4R0.1 CC(C)=NO C01995 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(C)C#N C02420 [0,0,0,0,0,0|0,0,2]=2 13 B4R0.1 CC(C)CN C02787 [0,0,0,0,0,0|0,0,0]=0 14 B4R0.1 CC(C)CO C14710 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 CC(Cl)CCl C19034 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 CC(N)C#N C05714 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 CC(O)CN C05771 [0,0,0,0,0,0|1,0,0]=1 18 B4R0.1 CC(O)CO C00583 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.1 CCC(=O)O C00163 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 CCC(C)=O C02845 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 CCC(C)N C18706 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 CC[N+](=O)[O-] C01837 [0,0,0,0,0,0|4,0,0]=4 23 B4R0.1 CN(C)N=O C14704 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.1 COC(C)=O C17530 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 C[C@@H](O)C=O C00937 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 C[C@@H](O)CN C03194 [0,0,0,0,0,0|1,0,0]=1 27 B4R0.1 C[C@@H](O)CO C02912 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 C[C@H](O)C=O C00424 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 C[C@H](O)CO C02917 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.1 ClCC(Cl)Cl C19536 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.1 N#CC(Br)Br C19396 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.1 N#CC(Cl)Br C19353 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.1 N#CC(Cl)Cl C19395 [0,0,0,0,0,0|2,0,2]=4 34 B4R0.1 NC(=O)CF C18675 [0,0,0,0,0,0|3,0,1]=4 35 B4R0.1 NCC(=O)O C00037 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.1 NNC(N)=O C02077 [0,0,0,0,0,0|3,0,1]=4 37 B4R0.1 NNC(N)=O C19521 [0,0,0,0,0,0|3,0,1]=4 38 B4R0.1 O=C(Cl)CCl C14859 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.1 O=C(O)CCl C06755 [0,0,0,0,0,0|3,0,1]=4 40 B4R0.1 O=C(O)CF C06108 [0,0,0,0,0,0|3,0,1]=4 41 B4R0.1 O=C(O)CO C00160 [0,0,0,0,0,0|3,0,1]=4 42 B4R0.1 O=C(O)CO C03547 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.1 O=C(O)CS C02086 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.1 O=C([O-])CF C18588 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.1 O=CC(Cl)Cl C14858 [0,0,0,0,0,0|3,0,1]=4 46 B4R0.1 OC(Cl)CCl C20305 [0,0,0,0,0,0|3,0,0]=3 47 B4R0.1 [*]C(=O)CO C03667 [0,0,0,0,0,0|3,0,1]=4 48 B4R0.1 [*]C(O)C=O C01370 [0,0,0,0,0,0|3,0,1]=4 49 B4R0.1 [*]C(O)C=O C06461 [0,0,0,0,0,0|3,0,1]=4 50 B4R0.1 [*]C(O)CO C00717 [0,0,0,0,0,0|3,0,0]=3 51 B4R0.1 [*]CC(=O)O C01812 [0,0,0,0,0,0|3,0,1]=4 52 B4R0.1 [*]CC([*])C C19505 [0,0,0,0,0,0|2,0,0]=2 53 B4R0.1 [*]CC([*])O C00980 [0,0,0,0,0,0|3,0,0]=3 54 B4R0.1 [*]NC(C)=O C02998 [0,0,0,0,0,0|3,0,1]=4 55 B4R0.1 [*]OC(C)=O C01883 [0,0,0,0,0,0|3,0,1]=4 56 B4R0.1 [*]OC(C)=O C03707 [0,0,0,0,0,0|3,0,1]=4 57 B4R0.1 [*]OC([*])O C01707 [0,0,0,0,0,0|4,0,0]=4 58 B4R0.1 [*]SC(C)=O C03939 [0,0,0,0,0,0|3,0,1]=4 59 B4R0.1 [*]SC(C)=O C04334 [0,0,0,0,0,0|3,0,1]=4 60 B4R0.1 [*][C@@H](O)CO C01506 [0,0,0,0,0,0|3,0,0]=3 61 B3R0.1 BrCCBr C11088 [1,0,0,0,0,0|2,0,0]=3 62 B3R0.1 C#CCO C05986 [1,0,0,0,0,0|1,0,2]=4 63 B3R0.1 C(=O)NC C11489 [1,0,0,0,0,0|2,0,1]=4 64 B3R0.1 C=CCCl C19316 [1,0,0,0,0,0|1,0,2]=4 65 B3R0.1 C=CCO C02001 [1,0,0,0,0,0|1,0,2]=4 66 B3R0.1 CCC=O C00479 [1,0,0,0,0,0|1,0,1]=3 67 B3R0.1 CCCC C21390 [1,0,0,0,0,0|1,0,0]=2 68 B3R0.1 CCCO C05979 [1,0,0,0,0,0|1,0,0]=2 69 B3R0.1 CCCS C08390 [1,0,0,0,0,0|1,0,0]=2 70 B3R0.1 CN=C=S C18587 [1,0,0,0,0,0|2,0,1]=4 71 B3R0.1 CNN=O C19568 [1,0,0,0,0,0|3,0,0]=4 72 B3R0.1 CNNC C19176 [1,0,0,0,0,0|3,0,0]=4 73 B3R0.1 COCCl C19160 [1,0,0,0,0,0|2,0,0]=3 74 B3R0.1 CSSC C08371 [1,0,0,0,0,0|3,0,0]=4 75 B3R0.1 C\N=N\O C20306 [1,0,0,0,0,0|3,0,0]=4 76 B3R0.1 ClCCCl C06752 [1,0,0,0,0,0|2,0,0]=3 77 B3R0.1 N#CCCl C19360 [1,0,0,0,0,0|1,0,2]=4 78 B3R0.1 NCC=O C06735 [1,0,0,0,0,0|1,0,1]=3 79 B3R0.1 NCCN C18382 [1,0,0,0,0,0|1,0,0]=2 80 B3R0.1 NCCO C00189 [1,0,0,0,0,0|1,0,0]=2 81 B3R0.1 NCCS C01678 [1,0,0,0,0,0|1,0,0]=2 82 B3R0.1 O=CCBr C14870 [1,0,0,0,0,0|2,0,1]=4 83 B3R0.1 O=CCCl C06754 [1,0,0,0,0,0|2,0,1]=4 84 B3R0.1 O=CCF C15488 [1,0,0,0,0,0|2,0,1]=4 85 B3R0.1 O=CCO C00266 [1,0,0,0,0,0|2,0,1]=4 86 B3R0.1 OCCCl C06753 [1,0,0,0,0,0|2,0,0]=3 87 B3R0.1 OCCO C01380 [1,0,0,0,0,0|2,0,0]=3 88 B3R0.1 OCCO C15588 [1,0,0,0,0,0|2,0,0]=3 89 B3R0.1 OCCS C00928 [1,0,0,0,0,0|2,0,0]=3 90 B3R0.1 [*]CCN C15534 [1,0,0,0,0,0|1,0,0]=2 91 B3R0.1 [*]CN[*] C21299 [1,0,0,0,0,0|3,0,0]=4 92 B3R0.1 [*]CO[*] C12942 [1,0,0,0,0,0|3,0,0]=4 93 B3R0.2 BrC(Br)Br C14707 [1,0,0,0,0,0|3,0,0]=4 94 B3R0.2 CC(=O)O C00033 [1,0,0,0,0,0|2,0,1]=4 95 B3R0.2 CC(=O)S C01857 [1,0,0,0,0,0|2,0,1]=4 96 B3R0.2 CC(=O)[O-] C12554 [1,0,0,0,0,0|2,0,1]=4 97 B3R0.2 CC(C)=O C00207 [1,0,0,0,0,0|1,0,1]=3 98 B3R0.2 CC(C)N C06748 [1,0,0,0,0,0|0,0,0]=1 99 B3R0.2 CC(C)O C01845 [1,0,0,0,0,0|1,0,0]=2 100 B3R0.2 CC(C)S C08391 [1,0,0,0,0,0|1,0,0]=2 101 B3R0.2 CC(Cl)Cl C18247 [1,0,0,0,0,0|2,0,0]=3 102 B3R0.2 CC(N)=O C06244 [1,0,0,0,0,0|1,0,1]=3 103 B3R0.2 CC(N)=S C19302 [1,0,0,0,0,0|1,0,1]=3 104 B3R0.2 CN(C)C C00565 [1,0,0,0,0,0|1,0,0]=2 105 B3R0.2 CN(C)N C19233 [1,0,0,0,0,0|1,0,0]=2 106 B3R0.2 CS(=O)O C21398 [1,0,0,0,0,0|3,0,0]=4 107 B3R0.2 CS(C)=O C11143 [1,0,0,0,0,0|2,0,0]=3 108 B3R0.2 C[As](C)O C20300 [1,0,0,0,0,0|2,0,0]=3 109 B3R0.2 C[As](O)O C07295 [1,0,0,0,0,0|3,0,0]=4 110 B3R0.2 C[N+](=O)[O-] C19275 [1,0,0,0,0,0|3,0,0]=4 111 B3R0.2 C[S+](C)C C01008 [1,0,0,0,0,0|1,0,0]=2 112 B3R0.2 C[Se+](C)C C18872 [1,0,0,0,0,0|1,0,0]=2 113 B3R0.2 C[Se](=O)O C18902 [1,0,0,0,0,0|3,0,0]=4 114 B3R0.2 ClC(Br)Br C14692 [1,0,0,0,0,0|3,0,0]=4 115 B3R0.2 ClC(Cl)Br C14708 [1,0,0,0,0,0|3,0,0]=4 116 B3R0.2 ClC(Cl)Cl C13827 [1,0,0,0,0,0|3,0,0]=4 117 B3R0.2 FC(F)Cl C19361 [1,0,0,0,0,0|3,0,0]=4 118 B3R0.2 IC(I)I C13383 [1,0,0,0,0,0|3,0,0]=4 119 B3R0.2 N=C(N)N C17349 [1,0,0,0,0,0|2,0,1]=4 120 B3R0.2 NC(=O)O C01563 [1,0,0,0,0,0|2,0,1]=4 121 B3R0.2 NC(N)=O C00086 [1,0,0,0,0,0|2,0,1]=4 122 B3R0.2 NC(N)=S C14415 [1,0,0,0,0,0|2,0,1]=4 123 B3R0.2 [*]C(N)=O C00241 [1,0,0,0,0,0|2,0,1]=4 124 B3R0.2 [*]C(N)=O C01663 [1,0,0,0,0,0|2,0,1]=4 125 B3R0.2 [*]C(N)=O C03620 [1,0,0,0,0,0|2,0,1]=4 126 B3R0.2 [*]C([*])O C01612 [1,0,0,0,0,0|3,0,0]=4 127 B3R0.2 [*]C([*])O C01813 [1,0,0,0,0,0|3,0,0]=4 128 B3R0.2 [*]C([*])S C01525 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.1 CC(=O)NCN C02297 [0,1,0,0,0,0|1,0,1]=3 130 B5R0.1 CC(C)=CC=O C07330 [0,1,0,0,0,0|1,0,2]=4 131 B5R0.1 CC(C)=CCO C01390 [0,1,0,0,0,0|1,0,1]=3 132 B5R0.1 CC(C)CC=O C07329 [0,1,0,0,0,0|1,0,0]=2 133 B5R0.1 CC(C)CCN C02640 [0,1,0,0,0,0|0,0,0]=1 134 B5R0.1 CC(C)CCO C07328 [0,1,0,0,0,0|1,0,0]=2 135 B5R0.1 CC(C)CNO C21369 [0,1,0,0,0,0|0,0,0]=1 136 B5R0.1 CC(C)\C=N/O C20315 [0,1,0,0,0,0|0,0,2]=3 137 B5R0.1 CC(C)\C=N\O C03219 [0,1,0,0,0,0|0,0,2]=3 138 B5R0.1 CC(O)CCO C20335 [0,1,0,0,0,0|2,0,0]=3 139 B5R0.1 CCCC(C)=O C01949 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.1 CCNC(C)=O C21404 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.1 CCOC(C)=O C00849 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.1 CNCC(=O)O C00213 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.1 C\[N+]([O-])=N\CO C02390 [0,1,0,0,0,0|3,0,0]=4 144 B5R0.1 NCCC(=O)O C00099 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.1 NCCC(N)=O C19779 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.1 NCCS(=O)O C00519 [0,1,0,0,0,0|3,0,0]=4 147 B5R0.1 NCNC(N)=O C06383 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.3 CCC(C)C#N C21525 [0,1,0,0,0,0|0,0,2]=3 149 B5R0.3 CCC(C)C=O C02223 [0,1,0,0,0,0|1,0,1]=3 150 B5R0.3 CCN(C)N=O C19281 [0,1,0,0,0,0|3,0,0]=4 151 B5R0.3 CN(C=O)CO C11488 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.3 CN(CO)N=O C20301 [0,1,0,0,0,0|3,0,0]=4 153 B5R0.3 ClCC(Br)CBr C14336 [0,1,0,0,0,0|2,0,0]=3 154 B5R0.3 ClCC(Cl)CCl C14400 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.3 NC[C@H](O)CO C06057 [0,1,0,0,0,0|1,0,0]=2 156 B5R0.3 O=C(CO)CO C00184 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.3 O=CC(O)CO C02154 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.3 O=C[C@@H](O)CO C02426 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.3 O=C[C@H](O)CO C00577 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.3 OC(CCl)CCl C14399 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.3 OCC(Br)CBr C19224 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.3 OCC(O)CCl C18676 [0,1,0,0,0,0|2,0,0]=3 163 B5R0.3 OCC(O)CO C00116 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.3 OCC(S)CS C02924 [0,1,0,0,0,0|2,0,0]=3 165 B5R0.4 C=CC(C)(C)O C21402 [0,1,0,0,0,0|1,0,1]=3 166 B5R0.4 CC(C)(O)C#N C02659 [0,1,0,0,0,0|0,0,2]=3 167 B5R0.4 CC(C)(O)C=O C21291 [0,1,0,0,0,0|1,0,1]=3 168 B5R0.4 CC(C)(O)CO C21290 [0,1,0,0,0,0|1,0,0]=2 169 B5R0.4 CCC(C)(C)O C21401 [0,1,0,0,0,0|1,0,0]=2 170 B5R0.4 COC(C)(C)C C11344 [0,1,0,0,0,0|2,0,0]=3 171 B5R0.4 ClCC(Cl)(Cl)Cl C14705 [0,1,0,0,0,0|3,0,0]=4 172 B5R0.4 FC(F)(F)CCl C19367 [0,1,0,0,0,0|3,0,0]=4 173 B5R0.4 NCP(=O)(O)O C11033 [0,1,0,0,0,0|3,0,0]=4 174 B5R0.4 OCC(Cl)(Cl)Cl C07490 [0,1,0,0,0,0|3,0,0]=4 175 B5R0.5 CC(=O)C(C)O C00466 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.5 CC(=O)N(C)C C20339 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.5 CC(=O)[C@@H](C)O C00810 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.5 CC(=O)[C@H](C)O C01769 [0,1,0,0,0,0|2,0,1]=4 179 B5R0.5 CC(C)C(=O)O C02632 [0,1,0,0,0,0|1,0,1]=3 180 B5R0.5 CC(C)[N+](=O)[O-] C02116 [0,1,0,0,0,0|2,0,0]=3 181 B5R0.5 CC(N)C(=O)O C01401 [0,1,0,0,0,0|2,0,1]=4 182 B5R0.5 CC(O)C(=O)O C01432 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.5 CN(C)C(=O)Cl C19175 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.5 CN(C)C(=S)[S-] C11223 [0,1,0,0,0,0|2,0,1]=4 185 B5R0.5 CN(C)C(=S)[S-] C15229 [0,1,0,0,0,0|2,0,1]=4 186 B5R0.5 C[C@@H](N)C(=O)O C00133 [0,1,0,0,0,0|2,0,1]=4 187 B5R0.5 C[C@@H](O)C(=O)O C00256 [0,1,0,0,0,0|2,0,1]=4 188 B5R0.5 C[C@@H](O)[C@@H](C)O C03044 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.5 C[C@H](Cl)C(=O)O C20608 [0,1,0,0,0,0|2,0,1]=4 190 B5R0.5 C[C@H](N)C(=O)O C00041 [0,1,0,0,0,0|2,0,1]=4 191 B5R0.5 C[C@H](O)C(=O)O C00186 [0,1,0,0,0,0|2,0,1]=4 192 B5R0.5 C[C@H](O)[C@@H](C)O C20657 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.5 C[C@H](O)[C@H](C)O C03046 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.5 ClC(Cl)C(Cl)Cl C19534 [0,1,0,0,0,0|3,0,0]=4 195 B5R0.5 OC(O)C(Cl)Cl C14860 [0,1,0,0,0,0|3,0,0]=4 196 B5R0.5 [*]C(=O)[C@H]([*])N C01076 [0,1,0,0,0,0|2,0,1]=4 197 B5R0.5 [*]C(C)C(=O)O C06389 [0,1,0,0,0,0|2,0,1]=4 198 B5R0.5 [*]C(N)C(=O)O C00045 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.5 [*]C(N)C(=O)O C05167 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.5 [*][C@@H](N)C(=O)O C00405 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.5 [*][C@H](N)C(=O)O C00151 [0,1,0,0,0,0|2,0,1]=4 202 B5R1.3 CCC1CO1 C19237 [0,0,0,1,0,0|2,0,0]=3 203 B5R1.3 ClCC1CO1 C14449 [0,0,0,1,0,0|2,0,0]=3 204 B5R1.3 O=CC1CO1 C19246 [0,0,0,1,0,0|2,0,1]=4 205 B5R1.3 OCC1CO1 C10920 [0,0,0,1,0,0|2,0,0]=3 206 B5R1.4 [*]C1OC1[*] C00722 [0,0,0,1,0,0|3,0,0]=4 207 B5R1.5 ClC1(Cl)CO1 C14857 [0,0,0,1,0,0|3,0,0]=4 208 B2R0.1 C(N)=O C00488 [2,0,0,0,0,0|1,0,1]=4 209 B2R0.1 C=CC C11505 [2,0,0,0,0,0|0,0,2]=4 210 B2R0.1 CC=O C00084 [2,0,0,0,0,0|1,0,1]=4 211 B2R0.1 CCBr C19354 [2,0,0,0,0,0|1,0,0]=3 212 B2R0.1 CCC C20783 [2,0,0,0,0,0|0,0,0]=2 213 B2R0.1 CCCl C18248 [2,0,0,0,0,0|1,0,0]=3 214 B2R0.1 CCN C00797 [2,0,0,0,0,0|0,0,0]=2 215 B2R0.1 CCO C00469 [2,0,0,0,0,0|1,0,0]=3 216 B2R0.1 CNC C00543 [2,0,0,0,0,0|1,0,0]=3 217 B2R0.1 COC C11144 [2,0,0,0,0,0|1,0,0]=3 218 B2R0.1 CSC C00580 [2,0,0,0,0,0|1,0,0]=3 219 B2R0.1 C[Hg]Cl C11146 [2,0,0,0,0,0|2,0,0]=4 220 B2R0.1 C[N+]#N C20302 [2,0,0,0,0,0|1,0,1]=4 221 B2R0.1 C[Se]C C02535 [2,0,0,0,0,0|1,0,0]=3 222 B2R0.1 C[Te]C C02677 [2,0,0,0,0,0|1,0,0]=3 223 B2R0.1 ClCBr C02661 [2,0,0,0,0,0|2,0,0]=4 224 B2R0.1 ClCCl C02271 [2,0,0,0,0,0|2,0,0]=4 225 B2R0.1 FCCl C19362 [2,0,0,0,0,0|2,0,0]=4 226 B2R0.1 N#CN C01566 [2,0,0,0,0,0|1,0,1]=4 227 B2R0.1 NCN C02311 [2,0,0,0,0,0|1,0,0]=3 228 B2R0.1 NCN C03687 [2,0,0,0,0,0|1,0,0]=3 229 B2R0.1 [*]CC C21763 [2,0,0,0,0,0|1,0,0]=3 230 B2R0.1 [*]CN C00375 [2,0,0,0,0,0|1,0,0]=3 231 B2R0.1 [*]CO C00226 [2,0,0,0,0,0|2,0,0]=4 232 B2R0.1 [*]CO C00339 [2,0,0,0,0,0|2,0,0]=4 233 B2R0.1 [*]C[*] C01872 [2,0,0,0,0,0|2,0,0]=4 234 B2R0.1 [*]NC C02436 [2,0,0,0,0,0|2,0,0]=4 235 B2R0.1 [*]SC C20791 [2,0,0,0,0,0|2,0,0]=4 236 B4R0.2 C#CCCO C06146 [1,1,0,0,0,0|1,0,1]=4 237 B4R0.2 C=CCCN C12244 [1,1,0,0,0,0|0,0,1]=3 238 B4R0.2 CCC=S=O C08389 [1,1,0,0,0,0|1,0,1]=4 239 B4R0.2 CCCC=O C01412 [1,1,0,0,0,0|1,0,0]=3 240 B4R0.2 CCCCO C06142 [1,1,0,0,0,0|1,0,0]=3 241 B4R0.2 CCOCC C13240 [1,1,0,0,0,0|1,0,0]=3 242 B4R0.2 CCSCC C02272 [1,1,0,0,0,0|1,0,0]=3 243 B4R0.2 ClCOCCl C19158 [1,1,0,0,0,0|2,0,0]=4 244 B4R0.2 N#CCCN C05670 [1,1,0,0,0,0|0,0,1]=3 245 B4R0.2 NCCC=O C05665 [1,1,0,0,0,0|0,0,1]=3 246 B4R0.2 NCCCN C00986 [1,1,0,0,0,0|0,0,0]=2 247 B4R0.2 O=CCCO C00969 [1,1,0,0,0,0|1,0,1]=4 248 B4R0.2 OCCCO C02457 [1,1,0,0,0,0|1,0,0]=3 249 B4R0.2 [*]CCC=O C00609 [1,1,0,0,0,0|1,0,1]=4 250 B4R0.3 CC(C)(C)O C21389 [1,1,0,0,0,0|0,0,0]=2 251 B4R0.3 CC(Cl)(Cl)Cl C18246 [1,1,0,0,0,0|2,0,0]=4 252 B4R0.3 CS(C)(=O)=O C11142 [1,1,0,0,0,0|2,0,0]=4 253 B4R0.3 C[As](C)(=O)O C07308 [1,1,0,0,0,0|2,0,0]=4 254 B4R0.3 C[N+](C)(C)C C11335 [1,1,0,0,0,0|1,0,0]=3 255 B4R0.3 C[N+](C)(C)C C20292 [1,1,0,0,0,0|1,0,0]=3 256 B4R0.3 C[N+](C)(C)[O-] C01104 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.1 CC[C@H](C)\C=N/O C20312 [0,2,0,0,0,0|0,0,2]=4 258 B6R0.1 CC[C@H](C)\C=N\O C19491 [0,2,0,0,0,0|0,0,2]=4 259 B6R0.1 [*]C\C=C(\C)C[*] C02321 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.1 [*]OC[C@@H](O)CO C02773 [0,2,0,0,0,0|2,0,0]=4 261 B6R0.2 CC(=O)CC(C)C C19263 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.2 CC(=O)CC(N)=O C11106 [0,2,0,0,0,0|1,0,1]=4 263 B6R0.2 CC(C)CC(=O)O C08262 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.2 CC(C)OC(=S)S C19127 [0,2,0,0,0,0|1,0,1]=4 265 B6R0.2 CC(O)CC(N)=O C11109 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.2 CN(C)CC(=O)O C01026 [0,2,0,0,0,0|2,0,0]=4 267 B6R0.2 C[C@@H](O)CC(=O)O C01089 [0,2,0,0,0,0|2,0,0]=4 268 B6R0.2 C[C@H](O)CC(=O)O C03197 [0,2,0,0,0,0|2,0,0]=4 269 B6R0.2 C[S+](C)CC(=O)O C03392 [0,2,0,0,0,0|2,0,0]=4 270 B6R0.3 CC(CN)C(=O)O C05145 [0,2,0,0,0,0|0,0,1]=3 271 B6R0.3 CC(CO)C(=O)O C01188 [0,2,0,0,0,0|1,0,1]=4 272 B6R0.3 CCC(C)C(=O)O C18319 [0,2,0,0,0,0|1,0,1]=4 273 B6R0.3 CN[C@@H](C)C(=O)O C02721 [0,2,0,0,0,0|1,0,1]=4 274 B6R0.3 C[C@@H](CN)C(=O)O C03284 [0,2,0,0,0,0|0,0,1]=3 275 B6R0.3 C[C@@H](CO)C(=O)O C06001 [0,2,0,0,0,0|1,0,1]=4 276 B6R0.3 C[C@H](CN)C(=O)O C01205 [0,2,0,0,0,0|0,0,1]=3 277 B6R0.3 NCC(F)C(=O)O C16632 [0,2,0,0,0,0|1,0,1]=4 278 B6R0.3 NCC(N)C(=O)O C06393 [0,2,0,0,0,0|1,0,1]=4 279 B6R0.3 NC[C@H](N)C(=O)O C03401 [0,2,0,0,0,0|1,0,1]=4 280 B6R0.3 [*]NC(=O)[C@H](C)N C03803 [0,2,0,0,0,0|1,0,1]=4 281 B6R0.4 C(=N/OC)C(C)C C03982 [0,2,0,0,0,0|0,0,2]=4 282 B6R0.4 CC(=O)SCCN C03537 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.4 CC(C)CCC=O C02373 [0,2,0,0,0,0|1,0,0]=3 284 B6R0.4 CC(C)C\C=N\O C17255 [0,2,0,0,0,0|0,0,1]=3 285 B6R0.5 C[N+](C)(C)CC=O C00576 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.5 C[N+](C)(C)CCCl C18585 [0,2,0,0,0,0|2,0,0]=4 287 B6R0.5 C[N+](C)(C)CCO C00114 [0,2,0,0,0,0|2,0,0]=4 288 B6R0.8 CC(N)(CO)CO C11260 [0,2,0,0,0,0|1,0,0]=3 289 B6R0.8 CC[C@@](C)(O)C#N C18796 [0,2,0,0,0,0|0,0,2]=4 290 B6R0.9 CCN(CC)CC C14691 [0,2,0,0,0,0|2,0,0]=4 291 B6R0.9 C\C=C(/CC)CO C02893 [0,2,0,0,0,0|1,0,1]=4 292 B6R0.7 CC(C)(N)C(=O)O C03665 [0,2,0,0,0,0|1,0,1]=4 293 B6R0.7 CC(C)(O)C(=O)O C21297 [0,2,0,0,0,0|1,0,1]=4 294 B4R1.2 CC1CN1 C19257 [1,0,0,1,0,0|0,0,0]=2 295 B4R1.2 CC1CO1 C15508 [1,0,0,1,0,0|1,0,0]=3 296 B4R1.2 C[C@@H]1CO1 C11506 [1,0,0,1,0,0|1,0,0]=3 297 B4R1.2 C[C@H]1CO1 C11507 [1,0,0,1,0,0|1,0,0]=3 298 B4R1.2 ClC1CO1 C20303 [1,0,0,1,0,0|2,0,0]=4 299 B4R1.2 NC1CC1 C14150 [1,0,0,1,0,0|0,0,0]=2 300 B4R1.2 [CH2-]C1CC1 C05354 [1,0,0,1,0,0|1,0,0]=3 301 B6R1.2 CC1=NCCC1 C20808 [0,1,0,1,0,0|1,0,1]=4 302 B6R1.2 C[C@@H]1CCCN1 C20809 [0,1,0,1,0,0|1,0,0]=3 303 B6R1.2 C[N+]1=CCCC1 C06178 [0,1,0,1,0,0|2,0,0]=4 304 B6R1.2 OC1CCCC1 C02020 [0,1,0,1,0,0|2,0,0]=4 305 B6R1.3 OCCN1CC1 C19332 [0,1,0,1,0,0|2,0,0]=4 306 B6R1.5 CC1CC(=O)O1 C19201 [0,1,0,1,0,0|1,0,1]=4 307 B6R1.11 O=C(O)C1CC1 C16267 [0,1,0,1,0,0|1,0,1]=4 308 B6R1.7 C=C[C@]1(C)CO1 C21373 [0,1,0,1,0,0|1,0,1]=4