0 B5R0.5 C=C(Cl)C(=O)O C20609 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.5 C=C(N)C(=O)O C02218 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.5 CC(=N)C(=O)O C20904 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 CC(=O)C(=O)O C00022 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 CC(=O)C(C)=O C00741 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.5 CC(=O)C(C)O C00466 [0,0,0,0,0,0|0,0,0]=0 6 B5R0.5 CC(=O)N(C)C C20339 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 CC(=O)[C@@H](C)O C00810 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.5 CC(=O)[C@H](C)O C01769 [0,0,0,0,0,0|0,0,0]=0 9 B5R0.5 CC(C)C(=O)O C02632 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CC(C)[N+](=O)[O-] C02116 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.5 CC(N)C(=O)O C01401 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 CC(O)C(=O)O C01432 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.5 CN(C)C(=O)Cl C19175 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.5 CN(C)C(=S)[S-] C11223 [0,0,0,0,0,0|3,1,0]=4 15 B5R0.5 CN(C)C(=S)[S-] C15229 [0,0,0,0,0,0|3,1,0]=4 16 B5R0.5 C[C@@H](N)C(=O)O C00133 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 C[C@@H](O)C(=O)O C00256 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.5 C[C@@H](O)[C@@H](C)O C03044 [0,0,0,0,0,0|0,0,2]=2 19 B5R0.5 C[C@H](Cl)C(=O)O C20608 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.5 C[C@H](N)C(=O)O C00041 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.5 C[C@H](O)C(=O)O C00186 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.5 C[C@H](O)[C@@H](C)O C20657 [0,0,0,0,0,0|0,0,2]=2 23 B5R0.5 C[C@H](O)[C@H](C)O C03046 [0,0,0,0,0,0|0,0,2]=2 24 B5R0.5 NC(=O)C(=O)O C01444 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.5 O=C(Cl)C(Cl)Cl C14867 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.5 O=C(O)C(=O)O C00209 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.5 O=C(O)C(Br)Br C20123 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.5 O=C(O)C(Cl)Br C19212 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.5 O=C(O)C(Cl)Cl C11149 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.5 O=C([O-])C(=O)[O-] C17478 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.5 OC(O)C(Cl)Cl C14860 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.5 [*]C(=O)C(=O)O C00161 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.5 [*]C(=O)C([*])O C01398 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.5 [*]C(=O)[C@H]([*])N C01076 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.5 [*]C(C)C(=O)O C06389 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.5 [*]C(N)C(=O)O C00045 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.5 [*]C(N)C(=O)O C05167 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.5 [*]C(O)C(=O)O C02929 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.5 [*]C([*])C(=O)O C02103 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.5 [*]C([*])C(=O)O C15564 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.5 [*][C@@H](N)C(=O)O C00405 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.5 [*][C@@H](O)C(=O)O C02489 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.5 [*][C@H](N)C(=O)O C00151 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.5 [*][C@H](O)C(=O)O C15565 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.1 C#CC(=O)O C00804 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 C(=O)C(C)O C05999 [1,0,0,0,0,0|0,0,0]=1 47 B4R0.1 C(=O)N(C)C C03134 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C=C(C)CCl C19363 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 C=CC(=C)C C16521 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 C=CC(=O)O C00511 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 C=CC(=O)O C19501 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 C=CC(C)=O C20701 [1,0,0,0,0,0|0,0,2]=3 53 B4R0.1 C=CC(N)=O C01659 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 CC(=O)C=O C00546 [1,0,0,0,0,0|0,0,2]=3 55 B4R0.1 CC(=O)CN C01888 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 CC(=O)CO C05235 [1,0,0,0,0,0|0,0,0]=1 57 B4R0.1 CC(=O)NN C07447 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 CC(=O)NO C06808 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.1 CC(C)=CCl C19206 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 CC(C)=NO C01995 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 CC(C)C#N C02420 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 CC(C)CN C02787 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 CC(C)CO C14710 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 CC(Cl)CCl C19034 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 CC(N)C#N C05714 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 CC(O)CN C05771 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 CC(O)CO C00583 [1,0,0,0,0,0|0,0,2]=3 68 B4R0.1 CC=[N+]([O-])[O-] C18091 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CCC(=O)O C00163 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.1 CCC(C)=O C02845 [1,0,0,0,0,0|0,0,0]=1 71 B4R0.1 CCC(C)N C18706 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 CC[N+](=O)[O-] C01837 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 CN(C)N=O C14704 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 CNC(=N)N C02294 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 CNC(=S)[S-] C18424 [1,0,0,0,0,0|2,1,0]=4 76 B4R0.1 CNC(N)=O C16363 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 COC(C)=O C17530 [1,0,0,0,0,0|1,0,0]=2 78 B4R0.1 COC(N)=O C19445 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 C[C@@H](O)C=O C00937 [1,0,0,0,0,0|0,0,0]=1 80 B4R0.1 C[C@@H](O)CN C03194 [1,0,0,0,0,0|1,0,1]=3 81 B4R0.1 C[C@@H](O)CO C02912 [1,0,0,0,0,0|0,0,2]=3 82 B4R0.1 C[C@H](O)C=O C00424 [1,0,0,0,0,0|0,0,0]=1 83 B4R0.1 C[C@H](O)CO C02917 [1,0,0,0,0,0|0,0,2]=3 84 B4R0.1 N=CC(=O)O C15809 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 NC(=O)CF C18675 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 NC(=O)NO C07044 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 NCC(=O)O C00037 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 NNC(N)=O C02077 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.1 NNC(N)=O C19521 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 O=C(Cl)CCl C14859 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 O=C(O)CCl C06755 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 O=C(O)CF C06108 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.1 O=C(O)CO C00160 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 O=C(O)CO C03547 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.1 O=C(O)CS C02086 [1,0,0,0,0,0|1,1,0]=3 96 B4R0.1 O=C([O-])CF C18588 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.1 O=CC(=O)O C00048 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.1 O=CC(Cl)Cl C14858 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.1 OC(Cl)CCl C20305 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 [*]C(=O)C=O C00538 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.1 [*]C(=O)C=O C01928 [1,0,0,0,0,0|1,0,2]=4 102 B4R0.1 [*]C(=O)CO C03667 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 [*]C(=O)NO C06443 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 [*]C(=O)OC C03395 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.1 [*]C(O)C=O C01370 [1,0,0,0,0,0|1,0,0]=2 106 B4R0.1 [*]C(O)C=O C06461 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.1 [*]C(O)CO C00717 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.1 [*]CC(=O)O C01812 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 [*]CC([*])C C19505 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 [*]CC([*])O C00980 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.1 [*]NC(C)=O C02998 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.1 [*]NC([*])=O C01658 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.1 [*]OC(C)=O C01883 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 [*]OC(C)=O C03707 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 [*]OC([*])=O C02391 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 [*]OC([*])O C01707 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.1 [*]SC(C)=O C03939 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 [*]SC(C)=O C04334 [1,0,0,0,0,0|2,0,0]=3 119 B4R0.1 [*][C@@H](O)CO C01506 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.1 [*]\C(S)=N\O C17261 [1,0,0,0,0,0|2,1,0]=4 121 B6R0.3 C=C(C)C(=O)OC C14527 [0,1,0,0,0,0|1,0,1]=3 122 B6R0.3 C=C(C)C(=O)OC C19504 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.3 CC(=O)\C(C)=N\O C07509 [0,1,0,0,0,0|0,0,1]=2 124 B6R0.3 CC(C=O)C(=O)O C00349 [0,1,0,0,0,0|1,0,1]=3 125 B6R0.3 CC(CN)C(=O)O C05145 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.3 CC(CO)C(=O)O C01188 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.3 CCC(=N)C(=O)O C20905 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.3 CCC(=O)C(=O)O C00109 [0,1,0,0,0,0|1,0,1]=3 129 B6R0.3 CCC(C)C(=O)O C18319 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.3 CC[C@@H](N)C(=O)O C02261 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.3 CC[C@H](N)C(=O)O C02356 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.3 CC[C@H](O)C(=O)O C05984 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.3 CN(N=O)C(N)=O C14595 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.3 CN[C@@H](C)C(=O)O C02721 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.3 C[C@@H](C=O)C(=O)O C06002 [0,1,0,0,0,0|1,0,1]=3 136 B6R0.3 C[C@@H](CN)C(=O)O C03284 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.3 C[C@@H](CO)C(=O)O C06001 [0,1,0,0,0,0|1,0,0]=2 138 B6R0.3 C[C@H](C=O)C(=O)O C21030 [0,1,0,0,0,0|1,0,1]=3 139 B6R0.3 C[C@H](CN)C(=O)O C01205 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.3 C\C(=N\O)C(=O)O C02193 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.3 C\C=C(/C)C(=O)O C08279 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.3 C\C=C(/N)C(=O)O C17234 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.3 NC(CO)C(=O)O C00716 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.3 NC(CS)C(=O)O C00736 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.3 NCC(F)C(=O)O C16632 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.3 NCC(N)C(=O)O C06393 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.3 NC[C@H](N)C(=O)O C03401 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.3 N[C@@H](C=O)C(=O)O C11822 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.3 N[C@@H](CCl)C(=O)O C02635 [0,1,0,0,0,0|2,0,0]=3 150 B6R0.3 N[C@@H](CO)C(=O)O C00065 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.3 N[C@@H](CS)C(=O)O C00097 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.3 N[C@H](CCl)C(=O)O C02634 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.3 N[C@H](CF)C(=O)O C02638 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.3 N[C@H](CO)C(=O)O C00740 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.3 N[C@H](CS)C(=O)O C00793 [0,1,0,0,0,0|2,0,0]=3 156 B6R0.3 O=C(O)C(=O)CO C00168 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.3 O=C(O)C(=O)CS C00957 [0,1,0,0,0,0|1,0,1]=3 158 B6R0.3 O=C(O)[C@@H](O)CS C05823 [0,1,0,0,0,0|1,0,0]=2 159 B6R0.3 O=C(O)[C@H](O)CO C00258 [0,1,0,0,0,0|1,0,0]=2 160 B6R0.3 O=CC(O)C(=O)O C01146 [0,1,0,0,0,0|1,0,1]=3 161 B6R0.3 [*]C(=O)[C@@H](N)CS C21487 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.3 [*]C(O)C(=O)CO C02319 [0,1,0,0,0,0|1,0,0]=2 163 B6R0.3 [*]CC(=O)C(=O)O C00972 [0,1,0,0,0,0|1,0,1]=3 164 B6R0.3 [*]CC(=O)C(=O)O C17265 [0,1,0,0,0,0|1,0,1]=3 165 B6R0.3 [*]CC(N)C(=O)O C17266 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.3 [*]CC(O)C(=O)O C05102 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.3 [*]C[C@H](N)C(=O)O C01021 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.3 [*]NC(=O)[C@H](C)N C03803 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.3 [*]OC(=O)C([*])N C03317 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.3 [*][C@H](NC)C(=O)O C03148 [0,1,0,0,0,0|2,0,0]=3 171 B6R0.3 [*][C@H](NO)C(=O)O C05710 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.3 [*]\C(=N/O)C(=O)O C05718 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.3 [SeH]C[C@H](N)C(=O)O C05688 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.7 CC(C)(N)C(=O)O C03665 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.7 CC(C)(O)C(=O)O C21297 [0,1,0,0,0,0|1,0,0]=2 176 B6R0.7 CC(Cl)(Cl)C(=O)O C18600 [0,1,0,0,0,0|2,0,0]=3 177 B6R0.7 C[C@H](N)P(=O)(O)O C03782 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.7 O=C(O)C(Cl)(Cl)Cl C11150 [0,1,0,0,0,0|3,0,0]=4 179 B6R0.7 O=C(O)P(=O)(O)O C06456 [0,1,0,0,0,0|3,0,0]=4 180 B6R0.7 O=C([O-])C(Cl)(Cl)Cl C18808 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.7 [*]C([*])(N)C(=O)O C02623 [0,1,0,0,0,0|3,0,0]=4 182 B6R1.11 O=C(O)C1CC1 C16267 [0,0,0,1,0,0|2,0,0]=3 183 B6R0.2 CC(=O)CC(=O)O C00164 [0,0,0,0,0,1|1,0,1]=3 184 B6R0.2 CC(=O)CC(=O)[O-] C17688 [0,0,0,0,0,1|1,0,2]=4 185 B6R0.2 CC(=O)CC(C)=O C15499 [0,0,0,0,0,1|0,0,2]=3 186 B6R0.2 CC(=O)CC(C)C C19263 [0,0,0,0,0,1|1,0,0]=2 187 B6R0.2 CC(=O)CC(N)=O C11106 [0,0,0,0,0,1|1,0,2]=4 188 B6R0.2 CC(C)CC(=O)O C08262 [0,0,0,0,0,1|2,0,0]=3 189 B6R0.2 CC(C)OC(=S)S C19127 [0,0,0,0,0,1|2,1,0]=4 190 B6R0.2 CC(O)CC(N)=O C11109 [0,0,0,0,0,1|1,0,0]=2 191 B6R0.2 CN(C)CC(=O)O C01026 [0,0,0,0,0,1|3,0,0]=4 192 B6R0.2 C[C@@H](O)CC(=O)O C01089 [0,0,0,0,0,1|1,0,0]=2 193 B6R0.2 C[C@H](O)CC(=O)O C03197 [0,0,0,0,0,1|1,0,0]=2 194 B6R0.2 C[S+](C)CC(=O)O C03392 [0,0,0,0,0,1|3,0,0]=4 195 B6R0.2 NC(=O)CC(=O)O C04131 [0,0,0,0,0,1|2,0,1]=4 196 B6R0.2 NC(=O)NC(=O)O C01010 [0,0,0,0,0,1|2,0,1]=4 197 B6R0.2 O=C(O)CC(=O)O C00383 [0,0,0,0,0,1|2,0,1]=4 198 B6R0.2 O=C(O)CC(=O)O C02028 [0,0,0,0,0,1|2,0,1]=4 199 B6R0.2 O=C(O)CC(=O)O C04025 [0,0,0,0,0,1|2,0,1]=4 200 B6R0.2 [*]C(=O)CC(=O)O C01656 [0,0,0,0,0,1|2,0,1]=4 201 B6R0.2 [*]C(O)CC(=O)O C03834 [0,0,0,0,0,1|2,0,0]=3 202 B3R0.1 C#CC=O C05985 [2,0,0,0,0,0|0,0,2]=4 203 B3R0.1 C#CCO C05986 [2,0,0,0,0,0|0,0,2]=4 204 B3R0.1 C(=O)NC C11489 [2,0,0,0,0,0|1,0,0]=3 205 B3R0.1 C=CC=O C01471 [2,0,0,0,0,0|0,0,2]=4 206 B3R0.1 C=CCCl C19316 [2,0,0,0,0,0|1,0,1]=4 207 B3R0.1 C=CCO C02001 [2,0,0,0,0,0|0,0,1]=3 208 B3R0.1 CCC=O C00479 [2,0,0,0,0,0|0,0,0]=2 209 B3R0.1 CCCC C21390 [2,0,0,0,0,0|0,0,1]=3 210 B3R0.1 CCCO C05979 [2,0,0,0,0,0|0,0,1]=3 211 B3R0.1 CCCS C08390 [2,0,0,0,0,0|0,1,1]=4 212 B3R0.1 CNN=O C19568 [2,0,0,0,0,0|2,0,0]=4 213 B3R0.1 CNNC C19176 [2,0,0,0,0,0|2,0,0]=4 214 B3R0.1 COCCl C19160 [2,0,0,0,0,0|2,0,0]=4 215 B3R0.1 CSSC C08371 [2,0,0,0,0,0|2,0,0]=4 216 B3R0.1 C\N=N\O C20306 [2,0,0,0,0,0|2,0,0]=4 217 B3R0.1 NCC=O C06735 [2,0,0,0,0,0|1,0,0]=3 218 B3R0.1 NCCO C00189 [2,0,0,0,0,0|1,0,1]=4 219 B3R0.1 O=CC=O C14448 [2,0,0,0,0,0|0,0,2]=4 220 B3R0.1 O=CCBr C14870 [2,0,0,0,0,0|1,0,0]=3 221 B3R0.1 O=CCCl C06754 [2,0,0,0,0,0|1,0,0]=3 222 B3R0.1 O=CCF C15488 [2,0,0,0,0,0|1,0,0]=3 223 B3R0.1 O=CCO C00266 [2,0,0,0,0,0|0,0,0]=2 224 B3R0.1 OCCCl C06753 [2,0,0,0,0,0|1,0,1]=4 225 B3R0.1 OCCO C01380 [2,0,0,0,0,0|0,0,2]=4 226 B3R0.1 OCCO C15588 [2,0,0,0,0,0|0,0,2]=4 227 B3R0.1 OCCS C00928 [2,0,0,0,0,0|0,1,1]=4 228 B3R0.1 [*]NC=O C06049 [2,0,0,0,0,0|2,0,0]=4 229 B3R0.1 [*]\C=N\O C02658 [2,0,0,0,0,0|2,0,0]=4 230 B3R0.2 CC(=O)O C00033 [2,0,0,0,0,0|0,0,0]=2 231 B3R0.2 CC(=O)S C01857 [2,0,0,0,0,0|0,1,0]=3 232 B3R0.2 CC(=O)[O-] C12554 [2,0,0,0,0,0|0,0,1]=3 233 B3R0.2 CC(C)=O C00207 [2,0,0,0,0,0|0,0,0]=2 234 B3R0.2 CC(C)N C06748 [2,0,0,0,0,0|1,0,0]=3 235 B3R0.2 CC(C)O C01845 [2,0,0,0,0,0|0,0,0]=2 236 B3R0.2 CC(C)S C08391 [2,0,0,0,0,0|0,1,0]=3 237 B3R0.2 CC(Cl)Cl C18247 [2,0,0,0,0,0|2,0,0]=4 238 B3R0.2 CC(N)=O C06244 [2,0,0,0,0,0|1,0,0]=3 239 B3R0.2 CC(N)=S C19302 [2,0,0,0,0,0|1,1,0]=4 240 B3R0.2 CN(C)C C00565 [2,0,0,0,0,0|2,0,0]=4 241 B3R0.2 CN(C)N C19233 [2,0,0,0,0,0|2,0,0]=4 242 B3R0.2 CS(=O)O C21398 [2,0,0,0,0,0|1,0,0]=3 243 B3R0.2 CS(C)=O C11143 [2,0,0,0,0,0|1,0,0]=3 244 B3R0.2 C[As](C)O C20300 [2,0,0,0,0,0|1,0,0]=3 245 B3R0.2 C[As](O)O C07295 [2,0,0,0,0,0|1,0,1]=4 246 B3R0.2 C[N+](=O)[O-] C19275 [2,0,0,0,0,0|1,0,1]=4 247 B3R0.2 C[S+](C)C C01008 [2,0,0,0,0,0|2,0,0]=4 248 B3R0.2 C[Se+](C)C C18872 [2,0,0,0,0,0|2,0,0]=4 249 B3R0.2 C[Se](=O)O C18902 [2,0,0,0,0,0|1,0,0]=3 250 B3R0.2 NC(=O)O C01563 [2,0,0,0,0,0|1,0,0]=3 251 B3R0.2 NC(N)=O C00086 [2,0,0,0,0,0|2,0,0]=4 252 B3R0.2 O=C(O)O C01353 [2,0,0,0,0,0|1,0,0]=3 253 B3R0.2 O=C([O-])O C00288 [2,0,0,0,0,0|1,0,0]=3 254 B3R0.2 O=C([O-])O C12603 [2,0,0,0,0,0|1,0,0]=3 255 B3R0.2 O=C([O-])O C18606 [2,0,0,0,0,0|1,0,0]=3 256 B3R0.2 O=C([O-])[O-] C07964 [2,0,0,0,0,0|1,0,1]=4 257 B3R0.2 O=C([O-])[O-] C08129 [2,0,0,0,0,0|1,0,1]=4 258 B3R0.2 O=C([O-])[O-] C12893 [2,0,0,0,0,0|1,0,1]=4 259 B3R0.2 O=Cl(=O)O C01485 [2,0,0,0,0,0|2,0,0]=4 260 B3R0.2 O=N(=O)O C00244 [2,0,0,0,0,0|2,0,0]=4 261 B3R0.2 O=S(O)O C00094 [2,0,0,0,0,0|2,0,0]=4 262 B3R0.2 O=S([O-])O C11481 [2,0,0,0,0,0|2,0,0]=4 263 B3R0.2 P(=O)(O)O C06701 [2,0,0,0,0,0|2,0,0]=4 264 B3R0.2 [*]C(=O)O C00162 [2,0,0,0,0,0|1,0,0]=3 265 B3R0.2 [*]C(=O)[O-] C00060 [2,0,0,0,0,0|1,0,1]=4 266 B3R0.2 [*]C(=O)[O-] C02403 [2,0,0,0,0,0|1,0,1]=4 267 B3R0.2 [*]C(N)=O C00241 [2,0,0,0,0,0|2,0,0]=4 268 B3R0.2 [*]C(N)=O C01663 [2,0,0,0,0,0|2,0,0]=4 269 B3R0.2 [*]C(N)=O C03620 [2,0,0,0,0,0|2,0,0]=4 270 B3R0.2 [*]C([*])=O C01450 [2,0,0,0,0,0|2,0,0]=4 271 B3R0.2 [*]C([*])=O C02146 [2,0,0,0,0,0|2,0,0]=4 272 B3R0.2 [*]C([*])O C01612 [2,0,0,0,0,0|2,0,0]=4 273 B3R0.2 [*]C([*])O C01813 [2,0,0,0,0,0|2,0,0]=4 274 B3R0.2 [*]S(=O)O C01615 [2,0,0,0,0,0|2,0,0]=4 275 B5R0.1 C#CCC(=O)O C06144 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.1 C=COC(C)=O C19309 [1,1,0,0,0,0|0,0,2]=4 277 B5R0.1 C=COC(C)=O C19546 [1,1,0,0,0,0|0,0,2]=4 278 B5R0.1 CC(=O)NCN C02297 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.1 CC(C)=CC=O C07330 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.1 CC(C)=CCO C01390 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.1 CC(C)CC=O C07329 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.1 CC(C)CCN C02640 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.1 CC(C)CCO C07328 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.1 CC(C)CNO C21369 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.1 CC(C)\C=N/O C20315 [1,1,0,0,0,0|1,0,1]=4 286 B5R0.1 CC(C)\C=N\O C03219 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.1 CC(O)CCO C20335 [1,1,0,0,0,0|0,0,1]=3 288 B5R0.1 CCCC(=O)O C00246 [1,1,0,0,0,0|1,0,0]=3 289 B5R0.1 CCCC(C)=O C01949 [1,1,0,0,0,0|0,0,0]=2 290 B5R0.1 CCNC(C)=O C21404 [1,1,0,0,0,0|0,0,0]=2 291 B5R0.1 CCOC(C)=O C00849 [1,1,0,0,0,0|0,0,0]=2 292 B5R0.1 CCOC(N)=O C01537 [1,1,0,0,0,0|1,0,0]=3 293 B5R0.1 CNCC(=O)O C00213 [1,1,0,0,0,0|1,0,0]=3 294 B5R0.1 CSCC(=O)O C03173 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.1 C\C=C\C(=O)O C01771 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.1 C\[N+]([O-])=N\CO C02390 [1,1,0,0,0,0|1,0,1]=4 297 B5R0.1 NC(=O)NCO C06384 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.1 NCCC(=O)O C00099 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.1 NCCC(N)=O C19779 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.1 NCCS(=O)O C00519 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.1 NCNC(N)=O C06383 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.1 O=C(O)CCO C01013 [1,1,0,0,0,0|1,0,0]=3 303 B5R0.1 O=C(O)\C=C\O C12069 [1,1,0,0,0,0|1,0,1]=4 304 B5R0.1 O=CCC(=O)O C00222 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.1 P(=O)(O)OCC C18401 [1,1,0,0,0,0|2,0,0]=4 306 B5R0.1 [*]C(=O)OCC C04202 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.1 [*]CCC(=O)O C00347 [1,1,0,0,0,0|1,0,0]=3 308 B5R0.1 [*]CCC(=O)O C00638 [1,1,0,0,0,0|1,0,0]=3 309 B5R0.1 [*]COC([*])=O C02434 [1,1,0,0,0,0|2,0,0]=4 310 B5R0.3 C=CC(=O)OC C19443 [1,1,0,0,0,0|0,0,2]=4 311 B5R0.3 CCC(C)C#N C21525 [1,1,0,0,0,0|1,0,1]=4 312 B5R0.3 CCC(C)C=O C02223 [1,1,0,0,0,0|0,0,1]=3 313 B5R0.3 CCN(C)N=O C19281 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.3 CN(C=O)CO C11488 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.3 CN(CO)N=O C20301 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.3 CNC(=O)NC C16364 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.3 NC[C@H](O)CO C06057 [1,1,0,0,0,0|0,0,2]=4 318 B5R0.3 O=C(CO)CO C00184 [1,1,0,0,0,0|0,0,0]=2 319 B5R0.3 O=CC(O)CO C02154 [1,1,0,0,0,0|0,0,0]=2 320 B5R0.3 O=C[C@@H](O)CO C02426 [1,1,0,0,0,0|0,0,0]=2 321 B5R0.3 O=C[C@H](O)CO C00577 [1,1,0,0,0,0|0,0,0]=2 322 B5R0.3 OC(CCl)CCl C14399 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.3 OCC(Br)CBr C19224 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.3 OCC(O)CCl C18676 [1,1,0,0,0,0|0,0,2]=4 325 B5R0.3 OCC(O)CO C00116 [1,1,0,0,0,0|0,0,2]=4 326 B5R0.3 OCC(S)CS C02924 [1,1,0,0,0,0|0,1,1]=4 327 B5R0.3 P(=O)(OC)OC C19406 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.4 C=CC(C)(C)O C21402 [1,1,0,0,0,0|0,0,1]=3 329 B5R0.4 CC(C)(O)C#N C02659 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.4 CC(C)(O)C=O C21291 [1,1,0,0,0,0|0,0,0]=2 331 B5R0.4 CC(C)(O)CO C21290 [1,1,0,0,0,0|0,0,2]=4 332 B5R0.4 CCC(C)(C)O C21401 [1,1,0,0,0,0|0,0,1]=3 333 B5R0.4 COC(C)(C)C C11344 [1,1,0,0,0,0|2,0,0]=4 334 B5R0.4 COS(C)(=O)=O C19181 [1,1,0,0,0,0|2,0,0]=4 335 B5R0.4 O=CC(Cl)(Cl)Cl C14866 [1,1,0,0,0,0|2,0,0]=4 336 B5R0.4 O=CP(=O)(O)O C17943 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.4 O=P(O)(O)CO C06455 [1,1,0,0,0,0|2,0,0]=4 338 B7R0.2 CCC(=O)CC(=O)O C02233 [0,1,0,0,0,1|1,0,1]=4 339 B7R0.2 NCC(O)CC(=O)O C03678 [0,1,0,0,0,1|1,0,0]=3 340 B7R0.2 [*]CC([*])OC(C)=O C12282 [0,1,0,0,0,1|1,0,0]=3 341 B7R0.2 [*]OC(C)CC([*])=O C06143 [0,1,0,0,0,1|1,0,0]=3 342 B7R0.2 [*]O[C@H](C)CC([*])=O C11551 [0,1,0,0,0,1|1,0,0]=3 343 B7R0.2 [*]O[C@H](C)CC([*])=O C11552 [0,1,0,0,0,1|1,0,0]=3 344 B7R0.2 [*]SC(=O)C[C@@H](C)O C04618 [0,1,0,0,0,1|1,0,0]=3 345 B7R0.2 [*]SC(=O)C[C@@H]([*])O C01271 [0,1,0,0,0,1|2,0,0]=4 346 B7R0.9 CC(=O)OP(=O)(O)O C00227 [0,1,0,0,0,1|2,0,0]=4 347 B7R0.9 CC(C)(O)CC(=O)O C20827 [0,1,0,0,0,1|1,0,0]=3 348 B7R0.9 CC(C)OP(C)(=O)F C11764 [0,1,0,0,0,1|2,0,0]=4 349 B7R0.9 CC(O)C[N+](C)(C)C C02224 [0,1,0,0,0,1|2,0,0]=4 350 B7R0.9 C[C@H](O)CP(=O)(O)O C06452 [0,1,0,0,0,1|2,0,0]=4 351 B7R0.16 CC(=O)C(N)C(=O)O C03214 [0,1,0,0,0,1|1,0,1]=4 352 B7R0.16 CC(=O)[C@H](N)C(=O)O C03508 [0,1,0,0,0,1|1,0,1]=4 353 B7R0.16 CC(C)C(=O)C(=O)O C00141 [0,1,0,0,0,1|2,0,0]=4 354 B7R0.16 CC(C)C(N)C(=O)O C16436 [0,1,0,0,0,1|2,0,0]=4 355 B7R0.16 CC(C)[C@@H](N)C(=O)O C06417 [0,1,0,0,0,1|2,0,0]=4 356 B7R0.16 CC(C)[C@H](N)C(=O)O C00183 [0,1,0,0,0,1|2,0,0]=4 357 B7R0.16 CC(O)C(O)C(N)=O C11108 [0,1,0,0,0,1|1,0,0]=3 358 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O C12317 [0,1,0,0,0,1|1,0,0]=3 359 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O C00188 [0,1,0,0,0,1|1,0,0]=3 360 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O C00820 [0,1,0,0,0,1|1,0,0]=3 361 B7R0.16 C[C@H](O)[C@H](N)C(=O)O C05519 [0,1,0,0,0,1|1,0,0]=3 362 B7R0.16 [*][C@H](O)[C@@H]([*])C(=O)O C21645 [0,1,0,0,0,1|2,0,0]=4 363 B7R0.5 CCCC(=O)C(=O)O C06255 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.5 CCC[C@@H](N)C(=O)O C01799 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.5 CCC[C@H](N)C(=O)O C01826 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.5 CNC[C@H](N)C(=O)O C08291 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.5 C[Se]CC(=O)C(=O)O C18904 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.5 C[Se]C[C@H](N)C(=O)O C05689 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.5 N#CC[C@H](N)C(=O)O C02512 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.5 NC(CCS)C(=O)O C05330 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.5 NCC[C@H](N)C(=O)O C03283 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.5 N[C@@H](CC=O)C(=O)O C00441 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.5 N[C@@H](CCO)C(=O)O C00263 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.5 N[C@@H](CCS)C(=O)O C00155 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.5 N[C@@H](CSS)C(=O)O C01962 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.5 O=CCC(=O)C(=O)O C02150 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.5 [*]SC[C@H](N)C(=O)O C02749 [0,2,0,0,0,0|2,0,0]=4 378 B7R0.5 [*]SC[C@H](N)C(=O)O C02882 [0,2,0,0,0,0|2,0,0]=4 379 B7R0.5 [*]SC[C@H](N)C(=O)O C05726 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.5 [SeH]CC[C@H](N)C(=O)O C05698 [0,2,0,0,0,0|2,0,0]=4 381 B7R0.10 CCC(=O)C(O)CC C02948 [0,2,0,0,0,0|0,0,0]=2 382 B7R0.10 COC(=O)C(=O)OC C10900 [0,2,0,0,0,0|0,0,2]=4 383 B7R0.10 CSC(=O)[C@H](O)CO C03804 [0,2,0,0,0,0|0,0,0]=2 384 B7R0.10 O=C(CO)[C@@H](O)CO C02045 [0,2,0,0,0,0|0,0,0]=2 385 B7R0.10 O=C(CO)[C@H](O)CO C02022 [0,2,0,0,0,0|0,0,0]=2 386 B7R0.10 OC[C@@H](O)[C@H](O)CO C16884 [0,2,0,0,0,0|0,0,2]=4 387 B7R0.10 OC[C@H](O)[C@H](O)CO C00503 [0,2,0,0,0,0|0,0,2]=4 388 B7R0.10 O[C@@H](CS)[C@@H](O)CS C00265 [0,2,0,0,0,0|0,0,2]=4 389 B7R0.10 O[C@H](CS)[C@@H](O)CS C00950 [0,2,0,0,0,0|0,0,2]=4 390 B7R0.10 [*]CC(C)C(=O)S[*] C21392 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.10 [*]SC(=O)[C@@H](C)CC C21129 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.13 CCC(C)(N)C(=O)O C03571 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.13 C[C@@](N)(CO)C(=O)O C02115 [0,2,0,0,0,0|1,0,0]=3 394 B7R0.14 NCC(O)P(=O)(O)O C05678 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.15 O=C(O)C(CS)CS C04371 [0,2,0,0,0,0|1,1,0]=4 396 B5R1.2 O=C1CCO1 C19297 [1,0,0,1,0,0|1,0,0]=3 397 B5R1.3 CCC1CO1 C19237 [1,0,0,1,0,0|0,0,1]=3 398 B5R1.3 ClCC1CO1 C14449 [1,0,0,1,0,0|1,0,1]=4 399 B5R1.3 O=CC1CO1 C19246 [1,0,0,1,0,0|0,0,0]=2 400 B5R1.3 OCC1CO1 C10920 [1,0,0,1,0,0|0,0,2]=4 401 B7R1.2 O=C1CCC(=O)N1 C07273 [0,0,0,1,0,1|0,0,2]=4 402 B7R1.2 O=C1CCC(=O)O1 C19524 [0,0,0,1,0,1|0,0,2]=4 403 B7R1.4 C=C1CCOC1=O C20578 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.4 CN1CCCC1=O C11118 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.4 NC1CCOC1=O C02926 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.4 NC1CONC1=O C06682 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.4 N[C@H]1CCOC1=O C19777 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.4 [C@@H]1(N)CONC1=O C08057 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.15 [*][C@@H]1OC(=O)[C@@H]1[*] C21657 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.18 O=C(O)[C@@H]1CCN1 C08267 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.19 NC1(C(=O)O)CC1 C01234 [0,1,0,1,0,0|2,0,0]=4 412 B7R0.6 CC(=O)NNC(C)=O C16622 [0,0,0,0,0,2|0,0,2]=4 413 B7R0.6 CC(=O)\C=C/C(=O)O C07091 [0,0,0,0,0,2|1,0,1]=4 414 B7R0.6 CC(C)CCC(=O)O C21399 [0,0,0,0,0,2|2,0,0]=4