0 B5R0.1 C=COC(C)=O C19309 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C=COC(C)=O C19546 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(=O)NCN C02297 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(C)=CC=O C07330 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.1 CC(C)=CCO C01390 [0,0,0,0,0,0|0,0,0]=0 5 B5R0.1 CC(C)CC=O C07329 [0,0,0,0,0,0|0,0,4]=4 6 B5R0.1 CC(C)CCN C02640 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(C)CCO C07328 [0,0,0,0,0,0|0,0,2]=2 8 B5R0.1 CC(C)CNO C21369 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CC(C)\C=N/O C20315 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.1 CC(C)\C=N\O C03219 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.1 CC(O)CCO C20335 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.1 CCCC(=O)O C00246 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CCCC(C)=O C01949 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CCNC(C)=O C21404 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CCOC(C)=O C00849 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CCOC(N)=O C01537 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 C\C=C\C(=O)O C01771 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C\[N+]([O-])=N\CO C02390 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 NC(=O)NCO C06384 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 NCCC(=O)O C00099 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 NCCC(N)=O C19779 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 NCNC(N)=O C06383 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 N\C=C/C(=O)O C20253 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 O=C(O)CCO C01013 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.1 O=C(O)\C=C/Cl C06615 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 O=C(O)\C=C\Cl C06614 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 O=C(O)\C=C\O C12069 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 [*]C(=O)OCC C04202 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.1 [*]CCC(=O)O C00347 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 [*]CCC(=O)O C00638 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 [*]COC([*])=O C02434 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.1 [*]\C=C\C(=O)O C11823 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 C(=O)C(C)O C05999 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C(=O)N(C)C C03134 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 C=C(C)CCl C19363 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 C=CC(=C)C C16521 [1,0,0,0,0,0|0,0,2]=3 37 B4R0.1 C=CC(=C)Cl C19208 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 C=CC(=C)Cl C19502 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 C=CC(=O)O C00511 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 C=CC(=O)O C19501 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 C=CC(C)=O C20701 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 C=CC(N)=O C01659 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(=O)C=O C00546 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(=O)CN C01888 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CC(=O)CO C05235 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 CC(=O)NN C07447 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 CC(=O)NO C06808 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CC(C)=CCl C19206 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 CC(C)=NO C01995 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.1 CC(C)C#N C02420 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 CC(C)CN C02787 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 CC(C)CO C14710 [1,0,0,0,0,0|0,0,1]=2 53 B4R0.1 CC(Cl)CCl C19034 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CC(O)CN C05771 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CC(O)CO C00583 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 CC=[N+]([O-])[O-] C18091 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 CCC(=O)O C00163 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 CCC(C)=O C02845 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 CCC(C)N C18706 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.1 CN(C)N=O C14704 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 CNC(=N)N C02294 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 CNC(=S)[S-] C18424 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 CNC(N)=O C16363 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 COC(C)=O C17530 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 COC(N)=O C19445 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 C[C@@H](O)C=O C00937 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.1 C[C@@H](O)CN C03194 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 C[C@@H](O)CO C02912 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 C[C@H](O)C=O C00424 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.1 C[C@H](O)CO C02917 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.1 ClC=C(Cl)Cl C06790 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.1 N=CC(=O)O C15809 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 NC(=O)CF C18675 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 NC(=O)NO C07044 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 NCC(=O)O C00037 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.1 O=C(Cl)CCl C14859 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 O=C(O)CCl C06755 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 O=C(O)CF C06108 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.1 O=C(O)CO C00160 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 O=C(O)CO C03547 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 O=C(O)CS C02086 [1,0,0,0,0,0|2,1,0]=4 82 B4R0.1 O=C([O-])CF C18588 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.1 O=CC(=O)O C00048 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 S\C(Cl)=C/Cl C20318 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.1 [*]C(=O)C=O C00538 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 [*]C(=O)C=O C01928 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 [*]C(=O)CO C03667 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 [*]C(=O)NO C06443 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.1 [*]C(=O)OC C03395 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 [*]C(O)CO C00717 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 [*]CC(=O)O C01812 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.1 [*]CC([*])C C19505 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 [*]NC(C)=O C02998 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.1 [*]OC(C)=O C01883 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 [*]OC(C)=O C03707 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 [*]SC(C)=O C03939 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.1 [*]SC(C)=O C04334 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 [*][C@@H](O)CO C01506 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 [*]\C(S)=N\O C17261 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.2 C#CCCO C06146 [1,0,0,0,0,0|0,0,3]=4 101 B4R0.2 C=CCCN C12244 [1,0,0,0,0,0|1,0,2]=4 102 B4R0.2 CCC=S=O C08389 [1,0,0,0,0,0|1,0,2]=4 103 B4R0.2 CCCC=O C01412 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.2 CCCCO C06142 [1,0,0,0,0,0|0,0,2]=3 105 B4R0.2 CCOCC C13240 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.2 CCSCC C02272 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.2 C\C=C\C=O C19377 [1,0,0,0,0,0|0,0,2]=3 108 B4R0.2 Cl\C=C/CCl C06610 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.2 Cl\C=C\CCl C06609 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.2 Cl\C=C\CCl C18627 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.2 NCCC=O C05665 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.2 O=CCCO C00969 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.2 O=C\C=C/Cl C16348 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.2 O=C\C=C\Cl C06613 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.2 OCCCO C02457 [1,0,0,0,0,0|1,0,2]=4 116 B4R0.2 OC\C=C/Cl C06612 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.2 OC\C=C\Cl C06611 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.2 [*]CCC=O C00609 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.1 C=CC(=O)NCO C19456 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 CC[C@H](C)\C=N/O C20312 [0,1,0,0,0,0|1,0,1]=3 121 B6R0.1 CC[C@H](C)\C=N\O C19491 [0,1,0,0,0,0|1,0,1]=3 122 B6R0.1 [*]C\C=C(\C)C[*] C02321 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.2 CC(=O)CC(=O)O C00164 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.2 CC(=O)CC(C)C C19263 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.2 CC(C)CC(=O)O C08262 [0,1,0,0,0,0|0,0,3]=4 126 B6R0.2 CC(O)CC(N)=O C11109 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.2 CN(C)CC(=O)O C01026 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.2 C[C@@H](O)CC(=O)O C01089 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.2 C[C@H](O)CC(=O)O C03197 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.2 C[S+](C)CC(=O)O C03392 [0,1,0,0,0,0|1,0,2]=4 131 B6R0.2 [*]C(O)CC(=O)O C03834 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.3 C=C(C)C(=O)OC C14527 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.3 C=C(C)C(=O)OC C19504 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.3 CC(=O)\C(C)=N\O C07509 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.3 CC(CO)C(=O)O C01188 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.3 CCC(=N)C(=O)O C20905 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.3 CCC(=O)C(=O)O C00109 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.3 C[C@@H](CO)C(=O)O C06001 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.3 C\C(=N\O)C(=O)O C02193 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.3 NC(CO)C(=O)O C00716 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.3 N[C@@H](CO)C(=O)O C00065 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.3 N[C@H](CO)C(=O)O C00740 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.3 O=C(O)C(=O)CO C00168 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.3 O=C(O)C(=O)CS C00957 [0,1,0,0,0,0|2,1,0]=4 145 B6R0.3 O=C(O)[C@H](O)CO C00258 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.3 [*]C(O)C(=O)CO C02319 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.3 [*]CC(=O)C(=O)O C00972 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.3 [*]CC(=O)C(=O)O C17265 [0,1,0,0,0,0|3,0,0]=4 149 B6R0.3 [*]\C(=N/O)C(=O)O C05718 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.4 C(=N/OC)C(C)C C03982 [0,1,0,0,0,0|1,0,1]=3 151 B6R0.4 CC(=O)SCCN C03537 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.4 CC(C)CCC=O C02373 [0,1,0,0,0,0|0,0,3]=4 153 B6R0.4 CC(C)C\C=N\O C17255 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.4 O=C(O)CCCO C00989 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.4 O=C(O)CCCO C01991 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.4 [*]C(=O)NCCO C04080 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.4 [*]CCNC(C)=O C15535 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.5 C[N+](C)(C)CCCl C18585 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.5 C[N+](C)(C)CCO C00114 [0,1,0,0,0,0|1,0,1]=3 160 B6R1.2 CC1=CN=CN1 C19262 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.2 CC1=CNN=C1 C07837 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.2 CC1=NCCC1 C20808 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.2 C[C@@H]1CCCN1 C20809 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.2 C[N+]1=CCCC1 C06178 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.2 O=C1CCCC1 C00557 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.2 O=C1CCCO1 C01770 [0,0,0,1,0,0|3,0,0]=4 167 B6R1.3 OCCN1CC1 C19332 [0,0,0,1,0,0|1,0,1]=3 168 B6R1.5 CC1CC(=O)O1 C19201 [0,0,0,1,0,0|3,0,0]=4 169 B3R0.1 C#CCO C05986 [2,0,0,0,0,0|0,0,2]=4 170 B3R0.1 C(=O)NC C11489 [2,0,0,0,0,0|1,0,1]=4 171 B3R0.1 C=CC#N C01998 [2,0,0,0,0,0|1,0,1]=4 172 B3R0.1 C=CC=C C16450 [2,0,0,0,0,0|0,0,2]=4 173 B3R0.1 C=CC=O C01471 [2,0,0,0,0,0|0,0,2]=4 174 B3R0.1 C=CCCl C19316 [2,0,0,0,0,0|1,0,0]=3 175 B3R0.1 C=CCO C02001 [2,0,0,0,0,0|0,0,0]=2 176 B3R0.1 CCC=O C00479 [2,0,0,0,0,0|0,0,2]=4 177 B3R0.1 CCCC C21390 [2,0,0,0,0,0|0,0,2]=4 178 B3R0.1 CCCO C05979 [2,0,0,0,0,0|0,0,1]=3 179 B3R0.1 CCCS C08390 [2,0,0,0,0,0|0,1,1]=4 180 B3R0.1 CNNC C19176 [2,0,0,0,0,0|2,0,0]=4 181 B3R0.1 COCCl C19160 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.1 CSSC C08371 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.1 C\N=N\O C20306 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.1 Cl\C=C/Cl C06792 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 Cl\C=C\Cl C06791 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.1 NCC=O C06735 [2,0,0,0,0,0|2,0,0]=4 187 B3R0.1 NCCO C00189 [2,0,0,0,0,0|1,0,1]=4 188 B3R0.1 O=CC=O C14448 [2,0,0,0,0,0|1,0,1]=4 189 B3R0.1 O=CCBr C14870 [2,0,0,0,0,0|2,0,0]=4 190 B3R0.1 O=CCCl C06754 [2,0,0,0,0,0|2,0,0]=4 191 B3R0.1 O=CCF C15488 [2,0,0,0,0,0|2,0,0]=4 192 B3R0.1 O=CCO C00266 [2,0,0,0,0,0|1,0,0]=3 193 B3R0.1 OCCCl C06753 [2,0,0,0,0,0|1,0,1]=4 194 B3R0.1 OCCO C01380 [2,0,0,0,0,0|1,0,1]=4 195 B3R0.1 OCCO C15588 [2,0,0,0,0,0|1,0,1]=4 196 B3R0.1 OCCS C00928 [2,0,0,0,0,0|1,0,1]=4 197 B3R0.1 [*]\C=C\[*] C01372 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.1 [*]\C=C\[*] C01706 [2,0,0,0,0,0|2,0,0]=4 199 B3R0.1 [*]\C=N\O C02658 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.2 C=C(Cl)Cl C14039 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.2 C=C(Cl)Cl C18992 [2,0,0,0,0,0|2,0,0]=4 202 B3R0.2 C=C(F)F C19547 [2,0,0,0,0,0|2,0,0]=4 203 B3R0.2 CC(=O)O C00033 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.2 CC(=O)S C01857 [2,0,0,0,0,0|1,0,1]=4 205 B3R0.2 CC(=O)[O-] C12554 [2,0,0,0,0,0|1,0,1]=4 206 B3R0.2 CC(C)=O C00207 [2,0,0,0,0,0|0,0,1]=3 207 B3R0.2 CC(C)N C06748 [2,0,0,0,0,0|1,0,1]=4 208 B3R0.2 CC(C)O C01845 [2,0,0,0,0,0|0,0,1]=3 209 B3R0.2 CC(C)S C08391 [2,0,0,0,0,0|0,1,1]=4 210 B3R0.2 CC(N)=O C06244 [2,0,0,0,0,0|1,0,1]=4 211 B3R0.2 CC(N)=S C19302 [2,0,0,0,0,0|1,1,0]=4 212 B3R0.2 CN(C)C C00565 [2,0,0,0,0,0|1,0,0]=3 213 B3R0.2 CN(C)N C19233 [2,0,0,0,0,0|2,0,0]=4 214 B3R0.2 CS(=O)O C21398 [2,0,0,0,0,0|2,0,0]=4 215 B3R0.2 CS(C)=O C11143 [2,0,0,0,0,0|1,0,1]=4 216 B3R0.2 C[As](C)O C20300 [2,0,0,0,0,0|1,0,0]=3 217 B3R0.2 C[As](O)O C07295 [2,0,0,0,0,0|2,0,0]=4 218 B3R0.2 C[S+](C)C C01008 [2,0,0,0,0,0|1,0,0]=3 219 B3R0.2 C[Se+](C)C C18872 [2,0,0,0,0,0|1,0,0]=3 220 B3R0.2 C[Se](=O)O C18902 [2,0,0,0,0,0|2,0,0]=4 221 B3R0.2 NC(=O)O C01563 [2,0,0,0,0,0|2,0,0]=4 222 B3R0.2 O=C(O)O C01353 [2,0,0,0,0,0|2,0,0]=4 223 B3R0.2 O=C([O-])O C00288 [2,0,0,0,0,0|2,0,0]=4 224 B3R0.2 O=C([O-])O C12603 [2,0,0,0,0,0|2,0,0]=4 225 B3R0.2 O=C([O-])O C18606 [2,0,0,0,0,0|2,0,0]=4 226 B3R0.2 [*]C(=O)O C00162 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.3 C=CC(=O)OC C19443 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.3 CCC(C)C=O C02223 [1,1,0,0,0,0|0,0,2]=4 229 B5R0.3 CN(C=O)CO C11488 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.3 CN(CO)N=O C20301 [1,1,0,0,0,0|2,0,0]=4 231 B5R0.3 CNC(=O)NC C16364 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.3 NC[C@H](O)CO C06057 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.3 O=C(CO)CO C00184 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.3 OCC(Br)CBr C19224 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.3 OCC(O)CCl C18676 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.3 OCC(O)CO C00116 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.3 OCC(S)CS C02924 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.4 C=CC(C)(C)O C21402 [1,1,0,0,0,0|0,0,2]=4 239 B5R0.4 CC(C)(O)C=O C21291 [1,1,0,0,0,0|0,0,2]=4 240 B5R0.4 CC(C)(O)CO C21290 [1,1,0,0,0,0|0,0,1]=3 241 B5R0.4 CCC(C)(C)O C21401 [1,1,0,0,0,0|0,0,2]=4 242 B5R0.4 COC(C)(C)C C11344 [1,1,0,0,0,0|1,0,1]=4 243 B5R0.5 C=C(Cl)C(=O)O C20609 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.5 C=C(N)C(=O)O C02218 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.5 CC(=N)C(=O)O C20904 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.5 CC(=O)C(=O)O C00022 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.5 CC(=O)C(C)=O C00741 [1,1,0,0,0,0|1,0,0]=3 248 B5R0.5 CC(=O)C(C)O C00466 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.5 CC(=O)N(C)C C20339 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.5 CC(=O)[C@@H](C)O C00810 [1,1,0,0,0,0|1,0,0]=3 251 B5R0.5 CC(=O)[C@H](C)O C01769 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.5 CC(C)C(=O)O C02632 [1,1,0,0,0,0|0,0,1]=3 253 B5R0.5 CC(N)C(=O)O C01401 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.5 CC(O)C(=O)O C01432 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.5 CN(C)C(=O)Cl C19175 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.5 CN(C)C(=S)[S-] C11223 [1,1,0,0,0,0|1,1,0]=4 257 B5R0.5 CN(C)C(=S)[S-] C15229 [1,1,0,0,0,0|1,1,0]=4 258 B5R0.5 C[C@@H](N)C(=O)O C00133 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.5 C[C@@H](O)C(=O)O C00256 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.5 C[C@@H](O)[C@@H](C)O C03044 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.5 C[C@H](Cl)C(=O)O C20608 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.5 C[C@H](N)C(=O)O C00041 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.5 C[C@H](O)C(=O)O C00186 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.5 C[C@H](O)[C@@H](C)O C20657 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.5 C[C@H](O)[C@H](C)O C03046 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.5 NC(=O)C(=O)O C01444 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.5 O=C(O)C(=O)O C00209 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.5 [*]C(=O)C(=O)O C00161 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.5 [*]C(=O)C([*])O C01398 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.5 [*]C(C)C(=O)O C06389 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.5 [*]C(O)C(=O)O C02929 [1,1,0,0,0,0|2,0,0]=4 272 B5R0.5 [*][C@@H](O)C(=O)O C02489 [1,1,0,0,0,0|2,0,0]=4 273 B5R0.5 [*][C@H](O)C(=O)O C15565 [1,1,0,0,0,0|2,0,0]=4 274 B5R0.2 CCCCCO C16834 [1,1,0,0,0,0|0,0,2]=4 275 B5R0.2 CCOCCO C14687 [1,1,0,0,0,0|0,0,2]=4 276 B5R0.2 ClC\C=C\CCl C19398 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.2 O=CC#CCO C02648 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.2 OCC#CCO C02497 [1,1,0,0,0,0|0,0,2]=4 279 B7R0.10 CSC(=O)[C@H](O)CO C03804 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.10 C\C(=C\N)C(=O)OO C20250 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.10 O=C(CO)[C@@H](O)CO C02045 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.10 O=C(CO)[C@H](O)CO C02022 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.9 CC(O)C[N+](C)(C)C C02224 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.9 C[N+](C)(C)CC(O)O C07345 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.16 CC(C)C(=O)C(=O)O C00141 [0,2,0,0,0,0|0,0,2]=4 286 B7R0.4 CC(C)CCOC=O C12293 [0,2,0,0,0,0|0,0,2]=4 287 B7R0.4 CC(C)CCON=O C07457 [0,2,0,0,0,0|0,0,2]=4 288 B7R0.6 CC(=O)\C=C/C(=O)O C07091 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.6 CC(C)CCC(=O)O C21399 [0,2,0,0,0,0|0,0,2]=4 290 B5R1.2 O=C1CCO1 C19297 [1,0,0,1,0,0|2,0,0]=4 291 B5R1.3 OCC1CO1 C10920 [1,0,0,1,0,0|1,0,1]=4 292 B5R1.1 C1=COC=C1 C14275 [1,0,0,1,0,0|0,0,2]=4 293 B5R1.1 C1=NCCC1 C15668 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.2 CC1=CC(O)=NO1 C11103 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.3 O=C1C=CCCC1 C02395 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.4 CN1CCCC1=O C11118 [0,1,0,1,0,0|2,0,0]=4