0 B3R0.1 BrCCBr C11088 [0,0,0,0,0,0|2,0,2]=4 1 B3R0.1 C#CC=O C05985 [0,0,0,0,0,0|0,0,2]=2 2 B3R0.1 C#CCO C05986 [0,0,0,0,0,0|0,0,4]=4 3 B3R0.1 C(=O)NC C11489 [0,0,0,0,0,0|1,0,1]=2 4 B3R0.1 C=CC#N C01998 [0,0,0,0,0,0|1,0,1]=2 5 B3R0.1 C=CC=C C16450 [0,0,0,0,0,0|1,0,0]=1 6 B3R0.1 C=CC=O C01471 [0,0,0,0,0,0|0,0,0]=0 7 B3R0.1 C=CCCl C19316 [0,0,0,0,0,0|1,0,1]=2 8 B3R0.1 C=CCO C02001 [0,0,0,0,0,0|0,0,2]=2 9 B3R0.1 CCC=O C00479 [0,0,0,0,0,0|0,0,2]=2 10 B3R0.1 CCCC C21390 [0,0,0,0,0,0|1,0,3]=4 11 B3R0.1 CCCO C05979 [0,0,0,0,0,0|0,0,4]=4 12 B3R0.1 CCCS C08390 [0,0,0,0,0,0|0,1,3]=4 13 B3R0.1 CN=C=S C18587 [0,0,0,0,0,0|1,1,2]=4 14 B3R0.1 CNN=O C19568 [0,0,0,0,0,0|2,0,1]=3 15 B3R0.1 CNNC C19176 [0,0,0,0,0,0|3,0,1]=4 16 B3R0.1 COCCl C19160 [0,0,0,0,0,0|2,0,2]=4 17 B3R0.1 CSSC C08371 [0,0,0,0,0,0|3,0,1]=4 18 B3R0.1 C\N=N\O C20306 [0,0,0,0,0,0|2,0,2]=4 19 B3R0.1 ClC#CCl C11089 [0,0,0,0,0,0|2,0,2]=4 20 B3R0.1 ClCCCl C06752 [0,0,0,0,0,0|2,0,2]=4 21 B3R0.1 Cl\C=C/Cl C06792 [0,0,0,0,0,0|2,0,0]=2 22 B3R0.1 Cl\C=C\Cl C06791 [0,0,0,0,0,0|2,0,0]=2 23 B3R0.1 N#CCCl C19360 [0,0,0,0,0,0|2,0,2]=4 24 B3R0.1 NCC=O C06735 [0,0,0,0,0,0|1,0,1]=2 25 B3R0.1 NCCN C18382 [0,0,0,0,0,0|2,0,2]=4 26 B3R0.1 NCCO C00189 [0,0,0,0,0,0|1,0,3]=4 27 B3R0.1 NCCS C01678 [0,0,0,0,0,0|1,1,2]=4 28 B3R0.1 O=CC=O C14448 [0,0,0,0,0,0|1,0,0]=1 29 B3R0.1 O=CCBr C14870 [0,0,0,0,0,0|1,0,1]=2 30 B3R0.1 O=CCCl C06754 [0,0,0,0,0,0|1,0,1]=2 31 B3R0.1 O=CCF C15488 [0,0,0,0,0,0|1,0,1]=2 32 B3R0.1 O=CCO C00266 [0,0,0,0,0,0|1,0,1]=2 33 B3R0.1 O=NO[O-] C16845 [0,0,0,0,0,0|3,0,0]=3 34 B3R0.1 O=[As]O[Na] C11906 [0,0,0,0,0,0|3,0,0]=3 35 B3R0.1 OCCCl C06753 [0,0,0,0,0,0|1,0,3]=4 36 B3R0.1 OCCO C01380 [0,0,0,0,0,0|1,0,3]=4 37 B3R0.1 OCCO C15588 [0,0,0,0,0,0|1,0,3]=4 38 B3R0.1 OCCS C00928 [0,0,0,0,0,0|1,0,3]=4 39 B3R0.1 O\N=N\O C01818 [0,0,0,0,0,0|3,0,1]=4 40 B3R0.1 [*]CCN C15534 [0,0,0,0,0,0|2,0,2]=4 41 B3R0.1 [*]CN[*] C21299 [0,0,0,0,0,0|3,0,1]=4 42 B3R0.1 [*]CO[*] C12942 [0,0,0,0,0,0|3,0,1]=4 43 B3R0.1 [*]NC=O C06049 [0,0,0,0,0,0|2,0,0]=2 44 B3R0.1 [*]OP=O C03497 [0,0,0,0,0,0|3,0,0]=3 45 B3R0.1 [*]SS[*] C15496 [0,0,0,0,0,0|4,0,0]=4 46 B3R0.1 [*]\C=C\[*] C01372 [0,0,0,0,0,0|2,0,0]=2 47 B3R0.1 [*]\C=C\[*] C01706 [0,0,0,0,0,0|2,0,0]=2 48 B3R0.1 [*]\C=N\O C02658 [0,0,0,0,0,0|2,0,1]=3 49 B2R0.1 C(=O)O C00058 [1,0,0,0,0,0|1,0,0]=2 50 B2R0.1 C(N)=O C00488 [1,0,0,0,0,0|1,0,0]=2 51 B2R0.1 C=CBr C19184 [1,0,0,0,0,0|1,0,0]=2 52 B2R0.1 C=CC C11505 [1,0,0,0,0,0|0,0,1]=2 53 B2R0.1 C=CCl C06793 [1,0,0,0,0,0|1,0,0]=2 54 B2R0.1 C=CCl C19508 [1,0,0,0,0,0|1,0,0]=2 55 B2R0.1 C=CF C19185 [1,0,0,0,0,0|1,0,0]=2 56 B2R0.1 C=[N+]=[N-] C19387 [1,0,0,0,0,0|2,0,0]=3 57 B2R0.1 CC=O C00084 [1,0,0,0,0,0|0,0,1]=2 58 B2R0.1 CCBr C19354 [1,0,0,0,0,0|1,0,2]=4 59 B2R0.1 CCC C20783 [1,0,0,0,0,0|0,0,3]=4 60 B2R0.1 CCCl C18248 [1,0,0,0,0,0|1,0,2]=4 61 B2R0.1 CCN C00797 [1,0,0,0,0,0|1,0,2]=4 62 B2R0.1 CCO C00469 [1,0,0,0,0,0|0,0,3]=4 63 B2R0.1 CNC C00543 [1,0,0,0,0,0|1,0,2]=4 64 B2R0.1 COC C11144 [1,0,0,0,0,0|1,0,2]=4 65 B2R0.1 CSC C00580 [1,0,0,0,0,0|1,0,2]=4 66 B2R0.1 C[Hg]Cl C11146 [1,0,0,0,0,0|2,0,1]=4 67 B2R0.1 C[N+]#N C20302 [1,0,0,0,0,0|2,0,1]=4 68 B2R0.1 C[Se]C C02535 [1,0,0,0,0,0|1,0,2]=4 69 B2R0.1 C[Te]C C02677 [1,0,0,0,0,0|1,0,2]=4 70 B2R0.1 ClCBr C02661 [1,0,0,0,0,0|2,0,1]=4 71 B2R0.1 ClCCl C02271 [1,0,0,0,0,0|2,0,1]=4 72 B2R0.1 Cl[Pt]Cl C06911 [1,0,0,0,0,0|3,0,0]=4 73 B2R0.1 FCCl C19362 [1,0,0,0,0,0|2,0,1]=4 74 B2R0.1 I[IH2-]I C08040 [1,0,0,0,0,0|3,0,0]=4 75 B2R0.1 N#CN C01566 [1,0,0,0,0,0|2,0,1]=4 76 B2R0.1 N#CO C01417 [1,0,0,0,0,0|1,0,2]=4 77 B2R0.1 N#CS C01755 [1,0,0,0,0,0|1,1,1]=4 78 B2R0.1 N#C[N-2] C19113 [1,0,0,0,0,0|2,0,1]=4 79 B2R0.1 N#C[O-] C19067 [1,0,0,0,0,0|1,0,2]=4 80 B2R0.1 NCN C02311 [1,0,0,0,0,0|2,0,1]=4 81 B2R0.1 NCN C03687 [1,0,0,0,0,0|2,0,1]=4 82 B2R0.1 O=C=O C00011 [1,0,0,0,0,0|1,0,1]=3 83 B2R0.1 O=C=S C07331 [1,0,0,0,0,0|1,0,1]=3 84 B2R0.1 O=C[O-] C18586 [1,0,0,0,0,0|1,0,0]=2 85 B2R0.1 O=Cl=O C18368 [1,0,0,0,0,0|2,0,0]=3 86 B2R0.1 O=ClO C01486 [1,0,0,0,0,0|2,0,0]=3 87 B2R0.1 O=Cl[O-] C19523 [1,0,0,0,0,0|2,0,0]=3 88 B2R0.1 O=NO C00088 [1,0,0,0,0,0|2,0,0]=3 89 B2R0.1 O=S=O C09306 [1,0,0,0,0,0|2,0,0]=3 90 B2R0.1 O=[Mn]=O C21744 [1,0,0,0,0,0|2,0,0]=3 91 B2R0.1 P(=O)O C05339 [1,0,0,0,0,0|2,0,0]=3 92 B2R0.1 S=C=S C19033 [1,0,0,0,0,0|1,1,1]=4 93 B2R0.1 SSS C19692 [1,0,0,0,0,0|2,1,0]=4 94 B2R0.1 [*]C#N C00726 [1,0,0,0,0,0|2,0,1]=4 95 B2R0.1 [*]C#N C01887 [1,0,0,0,0,0|2,0,1]=4 96 B2R0.1 [*]C#N C16072 [1,0,0,0,0,0|2,0,1]=4 97 B2R0.1 [*]C=O C00071 [1,0,0,0,0,0|1,0,0]=2 98 B2R0.1 [*]CC C21763 [1,0,0,0,0,0|1,0,2]=4 99 B2R0.1 [*]CN C00375 [1,0,0,0,0,0|2,0,1]=4 100 B2R0.1 [*]CO C00226 [1,0,0,0,0,0|1,0,2]=4 101 B2R0.1 [*]CO C00339 [1,0,0,0,0,0|1,0,2]=4 102 B2R0.1 [*]C[*] C01872 [1,0,0,0,0,0|2,0,1]=4 103 B2R0.1 [*]NC C02436 [1,0,0,0,0,0|2,0,1]=4 104 B2R0.1 [*]NO C02252 [1,0,0,0,0,0|2,0,1]=4 105 B2R0.1 [*]N[*] C02324 [1,0,0,0,0,0|3,0,0]=4 106 B2R0.1 [*]OO C01025 [1,0,0,0,0,0|2,0,1]=4 107 B2R0.1 [*]OO C15498 [1,0,0,0,0,0|2,0,1]=4 108 B2R0.1 [*]SC C20791 [1,0,0,0,0,0|2,0,1]=4 109 B2R0.1 [*]SO C02245 [1,0,0,0,0,0|2,0,1]=4 110 B2R0.1 [*]S[*] C00297 [1,0,0,0,0,0|3,0,0]=4 111 B2R0.1 [N-]=[N+]=O C00887 [1,0,0,0,0,0|2,0,0]=3 112 B2R0.1 [N-]=[N+]=[N-] C19935 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.1 C#CC(=O)O C00804 [0,1,0,0,0,0|0,0,2]=3 114 B4R0.1 C(=O)C(C)O C05999 [0,1,0,0,0,0|0,0,2]=3 115 B4R0.1 C(=O)N(C)C C03134 [0,1,0,0,0,0|1,0,1]=3 116 B4R0.1 C=C(C)CCl C19363 [0,1,0,0,0,0|1,0,1]=3 117 B4R0.1 C=CC(=C)C C16521 [0,1,0,0,0,0|1,0,0]=2 118 B4R0.1 C=CC(=C)Cl C19208 [0,1,0,0,0,0|1,0,0]=2 119 B4R0.1 C=CC(=C)Cl C19502 [0,1,0,0,0,0|1,0,0]=2 120 B4R0.1 C=CC(=O)O C00511 [0,1,0,0,0,0|0,0,0]=1 121 B4R0.1 C=CC(=O)O C19501 [0,1,0,0,0,0|0,0,0]=1 122 B4R0.1 C=CC(C)=O C20701 [0,1,0,0,0,0|0,0,0]=1 123 B4R0.1 C=CC(N)=O C01659 [0,1,0,0,0,0|0,0,0]=1 124 B4R0.1 CC(=O)C=O C00546 [0,1,0,0,0,0|0,0,1]=2 125 B4R0.1 CC(=O)CN C01888 [0,1,0,0,0,0|1,0,1]=3 126 B4R0.1 CC(=O)CO C05235 [0,1,0,0,0,0|1,0,1]=3 127 B4R0.1 CC(=O)NN C07447 [0,1,0,0,0,0|2,0,0]=3 128 B4R0.1 CC(=O)NO C06808 [0,1,0,0,0,0|2,0,0]=3 129 B4R0.1 CC(C)=CCl C19206 [0,1,0,0,0,0|1,0,1]=3 130 B4R0.1 CC(C)=NO C01995 [0,1,0,0,0,0|1,0,2]=4 131 B4R0.1 CC=[N+]([O-])[O-] C18091 [0,1,0,0,0,0|1,0,2]=4 132 B4R0.1 CCC(=O)O C00163 [0,1,0,0,0,0|0,0,2]=3 133 B4R0.1 CCC(C)=O C02845 [0,1,0,0,0,0|0,0,2]=3 134 B4R0.1 CC[N+](=O)[O-] C01837 [0,1,0,0,0,0|1,0,2]=4 135 B4R0.1 CN(C)N=O C14704 [0,1,0,0,0,0|2,0,1]=4 136 B4R0.1 CNC(=N)N C02294 [0,1,0,0,0,0|2,0,1]=4 137 B4R0.1 CNC(=S)[S-] C18424 [0,1,0,0,0,0|1,1,1]=4 138 B4R0.1 CNC(N)=O C16363 [0,1,0,0,0,0|1,0,1]=3 139 B4R0.1 COC(C)=O C17530 [0,1,0,0,0,0|1,0,1]=3 140 B4R0.1 COC(N)=O C19445 [0,1,0,0,0,0|1,0,1]=3 141 B4R0.1 C[C@@H](O)C=O C00937 [0,1,0,0,0,0|0,0,2]=3 142 B4R0.1 C[C@H](O)C=O C00424 [0,1,0,0,0,0|0,0,2]=3 143 B4R0.1 ClC=C(Cl)Cl C06790 [0,1,0,0,0,0|2,0,0]=3 144 B4R0.1 N=CC(=O)O C15809 [0,1,0,0,0,0|1,0,0]=2 145 B4R0.1 NC(=O)CF C18675 [0,1,0,0,0,0|1,0,1]=3 146 B4R0.1 NC(=O)NO C07044 [0,1,0,0,0,0|2,0,0]=3 147 B4R0.1 NCC(=O)O C00037 [0,1,0,0,0,0|1,0,1]=3 148 B4R0.1 NNC(N)=O C02077 [0,1,0,0,0,0|2,0,0]=3 149 B4R0.1 NNC(N)=O C19521 [0,1,0,0,0,0|2,0,0]=3 150 B4R0.1 O=C(Cl)CCl C14859 [0,1,0,0,0,0|1,0,1]=3 151 B4R0.1 O=C(O)CCl C06755 [0,1,0,0,0,0|1,0,1]=3 152 B4R0.1 O=C(O)CF C06108 [0,1,0,0,0,0|1,0,1]=3 153 B4R0.1 O=C(O)CO C00160 [0,1,0,0,0,0|1,0,1]=3 154 B4R0.1 O=C(O)CO C03547 [0,1,0,0,0,0|1,0,1]=3 155 B4R0.1 O=C(O)CS C02086 [0,1,0,0,0,0|1,0,1]=3 156 B4R0.1 O=C([O-])CF C18588 [0,1,0,0,0,0|1,0,1]=3 157 B4R0.1 O=CC(=O)O C00048 [0,1,0,0,0,0|1,0,0]=2 158 B4R0.1 O=CC(Cl)Cl C14858 [0,1,0,0,0,0|1,0,1]=3 159 B4R0.1 S\C(Cl)=C/Cl C20318 [0,1,0,0,0,0|1,1,0]=3 160 B4R0.1 [*]C(=O)C=O C00538 [0,1,0,0,0,0|1,0,0]=2 161 B4R0.1 [*]C(=O)C=O C01928 [0,1,0,0,0,0|1,0,0]=2 162 B4R0.1 [*]C(=O)CO C03667 [0,1,0,0,0,0|1,0,1]=3 163 B4R0.1 [*]C(=O)NO C06443 [0,1,0,0,0,0|2,0,0]=3 164 B4R0.1 [*]C(=O)OC C03395 [0,1,0,0,0,0|1,0,1]=3 165 B4R0.1 [*]C(O)C=O C01370 [0,1,0,0,0,0|1,0,1]=3 166 B4R0.1 [*]C(O)C=O C06461 [0,1,0,0,0,0|1,0,1]=3 167 B4R0.1 [*]CC(=O)O C01812 [0,1,0,0,0,0|1,0,1]=3 168 B4R0.1 [*]NC(C)=O C02998 [0,1,0,0,0,0|2,0,0]=3 169 B4R0.1 [*]NC([*])=O C01658 [0,1,0,0,0,0|2,0,0]=3 170 B4R0.1 [*]OC(C)=O C01883 [0,1,0,0,0,0|2,0,0]=3 171 B4R0.1 [*]OC(C)=O C03707 [0,1,0,0,0,0|2,0,0]=3 172 B4R0.1 [*]OC([*])=O C02391 [0,1,0,0,0,0|2,0,0]=3 173 B4R0.1 [*]OP(=O)O C03498 [0,1,0,0,0,0|3,0,0]=4 174 B4R0.1 [*]SC(C)=O C03939 [0,1,0,0,0,0|2,0,0]=3 175 B4R0.1 [*]SC(C)=O C04334 [0,1,0,0,0,0|2,0,0]=3 176 B4R0.1 [*]\C(S)=N\O C17261 [0,1,0,0,0,0|2,0,1]=4 177 B4R0.2 C#CCC=O C06145 [0,1,0,0,0,0|0,0,2]=3 178 B4R0.2 C=CCCN C12244 [0,1,0,0,0,0|1,0,1]=3 179 B4R0.2 C=COC=C C17721 [0,1,0,0,0,0|1,0,0]=2 180 B4R0.2 CCC=S=O C08389 [0,1,0,0,0,0|0,0,2]=3 181 B4R0.2 CCCC=O C01412 [0,1,0,0,0,0|0,0,2]=3 182 B4R0.2 C\C=C\C=O C19377 [0,1,0,0,0,0|0,0,0]=1 183 B4R0.2 Cl\C=C/CCl C06610 [0,1,0,0,0,0|1,0,1]=3 184 B4R0.2 Cl\C=C\CCl C06609 [0,1,0,0,0,0|1,0,1]=3 185 B4R0.2 Cl\C=C\CCl C18627 [0,1,0,0,0,0|1,0,1]=3 186 B4R0.2 NCCC=O C05665 [0,1,0,0,0,0|0,0,2]=3 187 B4R0.2 O=CCC=O C19440 [0,1,0,0,0,0|0,0,1]=2 188 B4R0.2 O=CCCO C00969 [0,1,0,0,0,0|0,0,2]=3 189 B4R0.2 O=C\C=C/Cl C16348 [0,1,0,0,0,0|0,0,0]=1 190 B4R0.2 O=C\C=C\Cl C06613 [0,1,0,0,0,0|0,0,0]=1 191 B4R0.2 OC\C=C/Cl C06612 [0,1,0,0,0,0|0,0,2]=3 192 B4R0.2 OC\C=C\Cl C06611 [0,1,0,0,0,0|0,0,2]=3 193 B4R0.2 [*]CCC=O C00609 [0,1,0,0,0,0|0,0,2]=3 194 B1R0.1 C#C C01548 [2,0,0,0,0,0|0,0,2]=4 195 B1R0.1 C#N C01326 [2,0,0,0,0,0|1,0,1]=4 196 B1R0.1 C=C C06547 [2,0,0,0,0,0|0,0,0]=2 197 B1R0.1 C=C C19503 [2,0,0,0,0,0|0,0,0]=2 198 B1R0.1 C=O C00067 [2,0,0,0,0,0|0,0,0]=2 199 B1R0.1 CBr C18447 [2,0,0,0,0,0|1,0,1]=4 200 B1R0.1 CCl C19446 [2,0,0,0,0,0|1,0,1]=4 201 B1R0.1 CF C11147 [2,0,0,0,0,0|1,0,1]=4 202 B1R0.1 CI C18448 [2,0,0,0,0,0|1,0,1]=4 203 B1R0.1 CN C00218 [2,0,0,0,0,0|1,0,1]=4 204 B1R0.1 CO C00132 [2,0,0,0,0,0|0,0,2]=4 205 B1R0.1 CS C00409 [2,0,0,0,0,0|0,1,1]=4 206 B1R0.1 C[Hg+] C18672 [2,0,0,0,0,0|1,0,1]=4 207 B1R0.1 II C01382 [2,0,0,0,0,0|2,0,0]=4 208 B1R0.1 N#N C00697 [2,0,0,0,0,0|2,0,0]=4 209 B1R0.1 N=N C05360 [2,0,0,0,0,0|2,0,0]=4 210 B1R0.1 N=O C20937 [2,0,0,0,0,0|1,0,0]=3 211 B1R0.1 NCl C19359 [2,0,0,0,0,0|2,0,0]=4 212 B1R0.1 NN C05361 [2,0,0,0,0,0|2,0,0]=4 213 B1R0.1 NO C00192 [2,0,0,0,0,0|1,0,1]=4 214 B1R0.1 NO C11598 [2,0,0,0,0,0|1,0,1]=4 215 B1R0.1 O=O C00007 [2,0,0,0,0,0|1,0,0]=3 216 B1R0.1 OCl C19697 [2,0,0,0,0,0|1,0,1]=4 217 B1R0.1 OO C00027 [2,0,0,0,0,0|1,0,1]=4 218 B1R0.1 O[O] C21641 [2,0,0,0,0,0|1,0,1]=4 219 B1R0.1 [*]Br C00720 [2,0,0,0,0,0|2,0,0]=4 220 B1R0.1 [*]Cl C01334 [2,0,0,0,0,0|2,0,0]=4 221 B1R0.1 [*]I C01321 [2,0,0,0,0,0|2,0,0]=4 222 B1R0.1 [*]N C00706 [2,0,0,0,0,0|2,0,0]=4 223 B1R0.1 [*]N C00893 [2,0,0,0,0,0|2,0,0]=4 224 B1R0.1 [*]N C01664 [2,0,0,0,0,0|2,0,0]=4 225 B1R0.1 [*]N C01890 [2,0,0,0,0,0|2,0,0]=4 226 B1R0.1 [*]N C16240 [2,0,0,0,0,0|2,0,0]=4 227 B1R0.1 [*]N C16722 [2,0,0,0,0,0|2,0,0]=4 228 B1R0.1 [*]N C21300 [2,0,0,0,0,0|2,0,0]=4 229 B1R0.1 [*]O C00069 [2,0,0,0,0,0|1,0,1]=4 230 B1R0.1 [*]O C00863 [2,0,0,0,0,0|1,0,1]=4 231 B1R0.1 [*]O C01335 [2,0,0,0,0,0|1,0,1]=4 232 B1R0.1 [*]O C02525 [2,0,0,0,0,0|1,0,1]=4 233 B1R0.1 [*]O C03130 [2,0,0,0,0,0|1,0,1]=4 234 B1R0.1 [*]S C00145 [2,0,0,0,0,0|1,1,0]=4 235 B1R0.1 [*]S C00229 [2,0,0,0,0,0|1,1,0]=4 236 B1R0.1 [*]S C00812 [2,0,0,0,0,0|1,1,0]=4 237 B1R0.1 [*]S C01336 [2,0,0,0,0,0|1,1,0]=4 238 B1R0.1 [*]S C04298 [2,0,0,0,0,0|1,1,0]=4 239 B1R0.1 [*]S C11482 [2,0,0,0,0,0|1,1,0]=4 240 B1R0.1 [*]S C16736 [2,0,0,0,0,0|1,1,0]=4 241 B1R0.1 [*]S C21097 [2,0,0,0,0,0|1,1,0]=4 242 B1R0.1 [*][*] C01322 [2,0,0,0,0,0|2,0,0]=4 243 B1R0.1 [*][Hg+] C01343 [2,0,0,0,0,0|2,0,0]=4 244 B1R0.1 [C-]#N C00177 [2,0,0,0,0,0|1,0,1]=4 245 B1R0.1 [C-]#N C18673 [2,0,0,0,0,0|1,0,1]=4 246 B1R0.1 [C-]#[O+] C00237 [2,0,0,0,0,0|0,0,2]=4 247 B1R0.1 [H][H] C00282 [2,0,0,0,0,0|2,0,0]=4 248 B1R0.1 [N]=O C00533 [2,0,0,0,0,0|1,0,0]=3 249 B1R0.1 [O-][O-] C17732 [2,0,0,0,0,0|1,0,1]=4 250 B1R0.1 [O-][O-] C18566 [2,0,0,0,0,0|1,0,1]=4 251 B1R0.1 [O][O-] C00704 [2,0,0,0,0,0|1,0,1]=4 252 B1R0.1 [SeH]C C05703 [2,0,0,0,0,0|0,1,1]=4 253 B3R0.2 C=C(Cl)Cl C14039 [1,1,0,0,0,0|1,0,0]=3 254 B3R0.2 C=C(Cl)Cl C18992 [1,1,0,0,0,0|1,0,0]=3 255 B3R0.2 C=C(F)F C19547 [1,1,0,0,0,0|1,0,0]=3 256 B3R0.2 CC(=O)O C00033 [1,1,0,0,0,0|0,0,1]=3 257 B3R0.2 CC(=O)S C01857 [1,1,0,0,0,0|0,0,1]=3 258 B3R0.2 CC(=O)[O-] C12554 [1,1,0,0,0,0|0,0,1]=3 259 B3R0.2 CC(C)=O C00207 [1,1,0,0,0,0|0,0,1]=3 260 B3R0.2 CC(N)=O C06244 [1,1,0,0,0,0|0,0,1]=3 261 B3R0.2 CC(N)=S C19302 [1,1,0,0,0,0|0,1,1]=4 262 B3R0.2 CS(=O)O C21398 [1,1,0,0,0,0|1,0,1]=4 263 B3R0.2 CS(C)=O C11143 [1,1,0,0,0,0|1,0,1]=4 264 B3R0.2 C[N+](=O)[O-] C19275 [1,1,0,0,0,0|1,0,1]=4 265 B3R0.2 C[Se](=O)O C18902 [1,1,0,0,0,0|1,0,1]=4 266 B3R0.2 N=C(N)N C17349 [1,1,0,0,0,0|2,0,0]=4 267 B3R0.2 NC(=O)O C01563 [1,1,0,0,0,0|1,0,0]=3 268 B3R0.2 NC(N)=O C00086 [1,1,0,0,0,0|1,0,0]=3 269 B3R0.2 NC(N)=S C14415 [1,1,0,0,0,0|1,1,0]=4 270 B3R0.2 O=Br(=O)[O-] C19295 [1,1,0,0,0,0|2,0,0]=4 271 B3R0.2 O=C(O)O C01353 [1,1,0,0,0,0|1,0,0]=3 272 B3R0.2 O=C([O-])O C00288 [1,1,0,0,0,0|1,0,0]=3 273 B3R0.2 O=C([O-])O C12603 [1,1,0,0,0,0|1,0,0]=3 274 B3R0.2 O=C([O-])O C18606 [1,1,0,0,0,0|1,0,0]=3 275 B3R0.2 O=C([O-])[O-] C07964 [1,1,0,0,0,0|1,0,0]=3 276 B3R0.2 O=C([O-])[O-] C08129 [1,1,0,0,0,0|1,0,0]=3 277 B3R0.2 O=C([O-])[O-] C12893 [1,1,0,0,0,0|1,0,0]=3 278 B3R0.2 O=Cl(=O)O C01485 [1,1,0,0,0,0|2,0,0]=4 279 B3R0.2 O=Cl(=O)[O-] C18765 [1,1,0,0,0,0|2,0,0]=4 280 B3R0.2 O=I(=O)[O-] C18366 [1,1,0,0,0,0|2,0,0]=4 281 B3R0.2 O=N(=O)O C00244 [1,1,0,0,0,0|2,0,0]=4 282 B3R0.2 O=S(O)O C00094 [1,1,0,0,0,0|2,0,0]=4 283 B3R0.2 O=S([O-])O C11481 [1,1,0,0,0,0|2,0,0]=4 284 B3R0.2 O=[N+]([O-])[O-] C13557 [1,1,0,0,0,0|2,0,0]=4 285 B3R0.2 O=[N+]([O-])[O-] C15234 [1,1,0,0,0,0|2,0,0]=4 286 B3R0.2 O=[Se]([O-])[O-] C05684 [1,1,0,0,0,0|2,0,0]=4 287 B3R0.2 P(=O)(O)O C06701 [1,1,0,0,0,0|2,0,0]=4 288 B3R0.2 [*]C(=O)O C00162 [1,1,0,0,0,0|1,0,0]=3 289 B3R0.2 [*]C(=O)[O-] C00060 [1,1,0,0,0,0|1,0,0]=3 290 B3R0.2 [*]C(=O)[O-] C02403 [1,1,0,0,0,0|1,0,0]=3 291 B3R0.2 [*]C(N)=O C00241 [1,1,0,0,0,0|1,0,0]=3 292 B3R0.2 [*]C(N)=O C01663 [1,1,0,0,0,0|1,0,0]=3 293 B3R0.2 [*]C(N)=O C03620 [1,1,0,0,0,0|1,0,0]=3 294 B3R0.2 [*]C([*])=O C01450 [1,1,0,0,0,0|1,0,0]=3 295 B3R0.2 [*]C([*])=O C02146 [1,1,0,0,0,0|1,0,0]=3 296 B3R0.2 [*]N(=O)=O C06058 [1,1,0,0,0,0|2,0,0]=4 297 B3R0.2 [*]S(=O)O C01615 [1,1,0,0,0,0|2,0,0]=4 298 B5R0.1 C#CCC(=O)O C06144 [0,2,0,0,0,0|0,0,2]=4 299 B5R0.1 C=COC(C)=O C19309 [0,2,0,0,0,0|0,0,0]=2 300 B5R0.1 C=COC(C)=O C19546 [0,2,0,0,0,0|0,0,0]=2 301 B5R0.1 CC(=O)NCN C02297 [0,2,0,0,0,0|1,0,1]=4 302 B5R0.1 CC(C)=CC=O C07330 [0,2,0,0,0,0|0,0,0]=2 303 B5R0.1 CC(C)=CCO C01390 [0,2,0,0,0,0|0,0,2]=4 304 B5R0.1 CC(C)CC=O C07329 [0,2,0,0,0,0|0,0,2]=4 305 B5R0.1 CCCC(=O)O C00246 [0,2,0,0,0,0|0,0,2]=4 306 B5R0.1 CCCC(C)=O C01949 [0,2,0,0,0,0|0,0,2]=4 307 B5R0.1 CCNC(C)=O C21404 [0,2,0,0,0,0|0,0,2]=4 308 B5R0.1 CCOC(C)=O C00849 [0,2,0,0,0,0|0,0,2]=4 309 B5R0.1 CCOC(N)=O C01537 [0,2,0,0,0,0|0,0,2]=4 310 B5R0.1 CNCC(=O)O C00213 [0,2,0,0,0,0|0,0,2]=4 311 B5R0.1 CSCC(=O)O C03173 [0,2,0,0,0,0|0,0,2]=4 312 B5R0.1 C\C=C\C(=O)O C01771 [0,2,0,0,0,0|0,0,0]=2 313 B5R0.1 NC(=O)NCO C06384 [0,2,0,0,0,0|1,0,1]=4 314 B5R0.1 NCCC(=O)O C00099 [0,2,0,0,0,0|0,0,2]=4 315 B5R0.1 NCCC(N)=O C19779 [0,2,0,0,0,0|0,0,2]=4 316 B5R0.1 NCNC(N)=O C06383 [0,2,0,0,0,0|1,0,1]=4 317 B5R0.1 N\C=C/C(=O)O C20253 [0,2,0,0,0,0|0,0,0]=2 318 B5R0.1 O=C(O)CCO C01013 [0,2,0,0,0,0|0,0,2]=4 319 B5R0.1 O=C(O)\C=C/Cl C06615 [0,2,0,0,0,0|0,0,0]=2 320 B5R0.1 O=C(O)\C=C\Cl C06614 [0,2,0,0,0,0|0,0,0]=2 321 B5R0.1 O=C(O)\C=C\O C12069 [0,2,0,0,0,0|0,0,0]=2 322 B5R0.1 O=CCC(=O)O C00222 [0,2,0,0,0,0|0,0,1]=3 323 B5R0.1 [*]C(=O)OCC C04202 [0,2,0,0,0,0|0,0,2]=4 324 B5R0.1 [*]CCC(=O)O C00347 [0,2,0,0,0,0|0,0,2]=4 325 B5R0.1 [*]CCC(=O)O C00638 [0,2,0,0,0,0|0,0,2]=4 326 B5R0.1 [*]COC([*])=O C02434 [0,2,0,0,0,0|1,0,1]=4 327 B5R0.1 [*]\C=C\C(=O)O C11823 [0,2,0,0,0,0|0,0,0]=2 328 B5R0.3 C=CC(=O)OC C19443 [0,2,0,0,0,0|0,0,0]=2 329 B5R0.3 C=CN(C)N=O C19282 [0,2,0,0,0,0|1,0,0]=3 330 B5R0.3 CCC(C)C=O C02223 [0,2,0,0,0,0|0,0,2]=4 331 B5R0.3 CN(C=O)CO C11488 [0,2,0,0,0,0|1,0,1]=4 332 B5R0.3 CNC(=O)NC C16364 [0,2,0,0,0,0|1,0,1]=4 333 B5R0.3 O=C(CO)CO C00184 [0,2,0,0,0,0|1,0,1]=4 334 B5R0.3 O=CC(O)CO C02154 [0,2,0,0,0,0|0,0,2]=4 335 B5R0.3 O=C[C@@H](O)CO C02426 [0,2,0,0,0,0|0,0,2]=4 336 B5R0.3 O=C[C@H](O)CO C00577 [0,2,0,0,0,0|0,0,2]=4 337 B5R0.4 C=CC(C)(C)O C21402 [0,2,0,0,0,0|0,0,2]=4 338 B5R0.4 CC(C)(O)C=O C21291 [0,2,0,0,0,0|0,0,2]=4 339 B5R0.4 O=CC(Cl)(Cl)Cl C14866 [0,2,0,0,0,0|1,0,1]=4 340 B5R0.4 O=CP(=O)(O)O C17943 [0,2,0,0,0,0|2,0,0]=4 341 B5R0.5 C=C(Cl)C(=O)O C20609 [0,2,0,0,0,0|0,0,0]=2 342 B5R0.5 C=C(N)C(=O)O C02218 [0,2,0,0,0,0|0,0,0]=2 343 B5R0.5 CC(=N)C(=O)O C20904 [0,2,0,0,0,0|0,0,1]=3 344 B5R0.5 CC(=O)C(=O)O C00022 [0,2,0,0,0,0|0,0,1]=3 345 B5R0.5 CC(=O)C(C)=O C00741 [0,2,0,0,0,0|0,0,1]=3 346 B5R0.5 CC(=O)C(C)O C00466 [0,2,0,0,0,0|0,0,2]=4 347 B5R0.5 CC(=O)N(C)C C20339 [0,2,0,0,0,0|1,0,1]=4 348 B5R0.5 CC(=O)[C@@H](C)O C00810 [0,2,0,0,0,0|0,0,2]=4 349 B5R0.5 CC(=O)[C@H](C)O C01769 [0,2,0,0,0,0|0,0,2]=4 350 B5R0.5 CC(C)C(=O)O C02632 [0,2,0,0,0,0|0,0,2]=4 351 B5R0.5 CC(N)C(=O)O C01401 [0,2,0,0,0,0|0,0,2]=4 352 B5R0.5 CC(O)C(=O)O C01432 [0,2,0,0,0,0|0,0,2]=4 353 B5R0.5 CN(C)C(=O)Cl C19175 [0,2,0,0,0,0|1,0,1]=4 354 B5R0.5 C[C@@H](N)C(=O)O C00133 [0,2,0,0,0,0|0,0,2]=4 355 B5R0.5 C[C@@H](O)C(=O)O C00256 [0,2,0,0,0,0|0,0,2]=4 356 B5R0.5 C[C@H](Cl)C(=O)O C20608 [0,2,0,0,0,0|0,0,2]=4 357 B5R0.5 C[C@H](N)C(=O)O C00041 [0,2,0,0,0,0|0,0,2]=4 358 B5R0.5 C[C@H](O)C(=O)O C00186 [0,2,0,0,0,0|0,0,2]=4 359 B5R0.5 ClC(Cl)=C(Cl)Cl C06789 [0,2,0,0,0,0|2,0,0]=4 360 B5R0.5 FC(F)=C(F)F C19299 [0,2,0,0,0,0|2,0,0]=4 361 B5R0.5 NC(=O)C(=O)O C01444 [0,2,0,0,0,0|1,0,0]=3 362 B5R0.5 O=C(Cl)C(Cl)Cl C14867 [0,2,0,0,0,0|1,0,1]=4 363 B5R0.5 O=C(O)C(=O)O C00209 [0,2,0,0,0,0|1,0,0]=3 364 B5R0.5 O=C(O)C(Br)Br C20123 [0,2,0,0,0,0|1,0,1]=4 365 B5R0.5 O=C(O)C(Cl)Br C19212 [0,2,0,0,0,0|1,0,1]=4 366 B5R0.5 O=C(O)C(Cl)Cl C11149 [0,2,0,0,0,0|1,0,1]=4 367 B5R0.5 O=C([O-])C(=O)[O-] C17478 [0,2,0,0,0,0|1,0,0]=3 368 B5R0.5 [*]C(=O)C(=O)O C00161 [0,2,0,0,0,0|1,0,0]=3 369 B5R0.5 [*]C(=O)C([*])O C01398 [0,2,0,0,0,0|1,0,1]=4 370 B5R0.5 [*]C(=O)[C@H]([*])N C01076 [0,2,0,0,0,0|1,0,1]=4 371 B5R0.5 [*]C(C)C(=O)O C06389 [0,2,0,0,0,0|0,0,2]=4 372 B5R0.5 [*]C(N)C(=O)O C00045 [0,2,0,0,0,0|1,0,1]=4 373 B5R0.5 [*]C(N)C(=O)O C05167 [0,2,0,0,0,0|1,0,1]=4 374 B5R0.5 [*]C(O)C(=O)O C02929 [0,2,0,0,0,0|1,0,1]=4 375 B5R0.5 [*]C([*])C(=O)O C02103 [0,2,0,0,0,0|1,0,1]=4 376 B5R0.5 [*]C([*])C(=O)O C15564 [0,2,0,0,0,0|1,0,1]=4 377 B5R0.5 [*][C@@H](N)C(=O)O C00405 [0,2,0,0,0,0|1,0,1]=4 378 B5R0.5 [*][C@@H](O)C(=O)O C02489 [0,2,0,0,0,0|1,0,1]=4 379 B5R0.5 [*][C@H](N)C(=O)O C00151 [0,2,0,0,0,0|1,0,1]=4 380 B5R0.5 [*][C@H](O)C(=O)O C15565 [0,2,0,0,0,0|1,0,1]=4 381 B5R0.2 C=CCN=C=S C19317 [0,2,0,0,0,0|0,1,1]=4 382 B5R0.2 C=CCSSC C08383 [0,2,0,0,0,0|0,1,1]=4 383 B5R0.2 ClC\C=C\CCl C19398 [0,2,0,0,0,0|1,0,1]=4 384 B5R0.2 NCCCC=O C00555 [0,2,0,0,0,0|0,0,2]=4 385 B5R0.2 NCCCC=O C02903 [0,2,0,0,0,0|0,0,2]=4 386 B5R0.2 O=CC#CCO C02648 [0,2,0,0,0,0|0,0,2]=4 387 B5R0.2 O=CCCC=O C16835 [0,2,0,0,0,0|0,0,1]=3 388 B5R1.2 O=C1CCO1 C19297 [0,1,0,1,0,0|0,0,2]=4 389 B5R1.3 O=CC1CO1 C19246 [0,1,0,1,0,0|0,0,2]=4 390 B5R1.1 C1=CNC=C1 C19907 [0,1,0,1,0,0|1,0,0]=3 391 B5R1.1 C1=CNC=N1 C01589 [0,1,0,1,0,0|1,0,0]=3 392 B5R1.1 C1=CNN=C1 C00481 [0,1,0,1,0,0|1,0,0]=3 393 B5R1.1 C1=COC=C1 C14275 [0,1,0,1,0,0|0,0,1]=3