0 B3R0.1 BrCCBr C11088 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.1 C#CC=O C05985 [0,0,0,0,0,0|1,0,3]=4 2 B3R0.1 C#CCO C05986 [0,0,0,0,0,0|1,0,1]=2 3 B3R0.1 C(=O)NC C11489 [0,0,0,0,0,0|2,0,2]=4 4 B3R0.1 C=CC#N C01998 [0,0,0,0,0,0|1,0,3]=4 5 B3R0.1 C=CC=C C16450 [0,0,0,0,0,0|2,0,2]=4 6 B3R0.1 C=CC=O C01471 [0,0,0,0,0,0|1,0,3]=4 7 B3R0.1 C=CCCl C19316 [0,0,0,0,0,0|2,0,1]=3 8 B3R0.1 C=CCO C02001 [0,0,0,0,0,0|1,0,1]=2 9 B3R0.1 CCC=O C00479 [0,0,0,0,0,0|1,0,2]=3 10 B3R0.1 CCCC C21390 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.1 CCCO C05979 [0,0,0,0,0,0|1,0,0]=1 12 B3R0.1 CCCS C08390 [0,0,0,0,0,0|1,1,0]=2 13 B3R0.1 CN=C=S C18587 [0,0,0,0,0,0|2,1,1]=4 14 B3R0.1 CNN=O C19568 [0,0,0,0,0,0|3,0,1]=4 15 B3R0.1 CNNC C19176 [0,0,0,0,0,0|4,0,0]=4 16 B3R0.1 COCCl C19160 [0,0,0,0,0,0|3,0,0]=3 17 B3R0.1 CSSC C08371 [0,0,0,0,0,0|4,0,0]=4 18 B3R0.1 C\N=N\O C20306 [0,0,0,0,0,0|3,0,0]=3 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|2,0,0]=2 21 B3R0.1 Cl\C=C/Cl C06792 [0,0,0,0,0,0|2,0,2]=4 22 B3R0.1 Cl\C=C\Cl C06791 [0,0,0,0,0,0|2,0,2]=4 23 B3R0.1 N#CCCl C19360 [0,0,0,0,0,0|1,0,2]=3 24 B3R0.1 NCC=O C06735 [0,0,0,0,0,0|0,0,2]=2 25 B3R0.1 NCCN C18382 [0,0,0,0,0,0|1,0,0]=1 26 B3R0.1 NCCO C00189 [0,0,0,0,0,0|0,0,0]=0 27 B3R0.1 NCCS C01678 [0,0,0,0,0,0|0,1,0]=1 28 B3R0.1 O=CC=O C14448 [0,0,0,0,0,0|1,0,3]=4 29 B3R0.1 O=CCBr C14870 [0,0,0,0,0,0|1,0,2]=3 30 B3R0.1 O=CCCl C06754 [0,0,0,0,0,0|1,0,2]=3 31 B3R0.1 O=CCF C15488 [0,0,0,0,0,0|1,0,2]=3 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|3,0,1]=4 34 B3R0.1 O=[As]O[Na] C11906 [0,0,0,0,0,0|3,0,1]=4 35 B3R0.1 OCCCl C06753 [0,0,0,0,0,0|1,0,0]=1 36 B3R0.1 OCCO C01380 [0,0,0,0,0,0|1,0,0]=1 37 B3R0.1 OCCO C15588 [0,0,0,0,0,0|1,0,0]=1 38 B3R0.1 OCCS C00928 [0,0,0,0,0,0|1,0,0]=1 39 B3R0.1 O\N=N\O C01818 [0,0,0,0,0,0|3,0,0]=3 40 B3R0.1 [*]CCN C15534 [0,0,0,0,0,0|1,0,0]=1 41 B3R0.1 [*]CN[*] C21299 [0,0,0,0,0,0|3,0,0]=3 42 B3R0.1 [*]CO[*] C12942 [0,0,0,0,0,0|3,0,0]=3 43 B3R0.1 [*]NC=O C06049 [0,0,0,0,0,0|2,0,2]=4 44 B3R0.1 [*]OP=O C03497 [0,0,0,0,0,0|3,0,1]=4 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|2,0,2]=4 47 B3R0.1 [*]\C=C\[*] C01706 [0,0,0,0,0,0|2,0,2]=4 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|1,0,1]=3 50 B2R0.1 C(N)=O C00488 [1,0,0,0,0,0|0,0,2]=3 51 B2R0.1 C=CBr C19184 [1,0,0,0,0,0|1,0,2]=4 52 B2R0.1 C=CC C11505 [1,0,0,0,0,0|1,0,1]=3 53 B2R0.1 C=CCl C06793 [1,0,0,0,0,0|1,0,2]=4 54 B2R0.1 C=CCl C19508 [1,0,0,0,0,0|1,0,2]=4 55 B2R0.1 C=CF C19185 [1,0,0,0,0,0|1,0,2]=4 56 B2R0.1 C=[N+]=[N-] C19387 [1,0,0,0,0,0|1,0,2]=4 57 B2R0.1 CC=O C00084 [1,0,0,0,0,0|0,0,2]=3 58 B2R0.1 CCBr C19354 [1,0,0,0,0,0|1,0,0]=2 59 B2R0.1 CCC C20783 [1,0,0,0,0,0|1,0,0]=2 60 B2R0.1 CCCl C18248 [1,0,0,0,0,0|1,0,0]=2 61 B2R0.1 CCN C00797 [1,0,0,0,0,0|0,0,0]=1 62 B2R0.1 CCO C00469 [1,0,0,0,0,0|0,0,0]=1 63 B2R0.1 CNC C00543 [1,0,0,0,0,0|2,0,0]=3 64 B2R0.1 COC C11144 [1,0,0,0,0,0|2,0,0]=3 65 B2R0.1 CSC C00580 [1,0,0,0,0,0|2,0,0]=3 66 B2R0.1 C[Hg]Cl C11146 [1,0,0,0,0,0|2,0,0]=3 67 B2R0.1 C[N+]#N C20302 [1,0,0,0,0,0|1,0,1]=3 68 B2R0.1 C[Se]C C02535 [1,0,0,0,0,0|2,0,0]=3 69 B2R0.1 C[Te]C C02677 [1,0,0,0,0,0|2,0,0]=3 70 B2R0.1 ClCBr C02661 [1,0,0,0,0,0|2,0,0]=3 71 B2R0.1 ClCCl C02271 [1,0,0,0,0,0|2,0,0]=3 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|2,0,0]=3 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|1,0,1]=3 76 B2R0.1 N#CO C01417 [1,0,0,0,0,0|0,0,2]=3 77 B2R0.1 N#CS C01755 [1,0,0,0,0,0|0,1,2]=4 78 B2R0.1 N#C[N-2] C19113 [1,0,0,0,0,0|1,0,2]=4 79 B2R0.1 N#C[O-] C19067 [1,0,0,0,0,0|0,0,3]=4 80 B2R0.1 NCN C02311 [1,0,0,0,0,0|1,0,0]=2 81 B2R0.1 NCN C03687 [1,0,0,0,0,0|1,0,0]=2 82 B2R0.1 O=C=O C00011 [1,0,0,0,0,0|1,0,2]=4 83 B2R0.1 O=C=S C07331 [1,0,0,0,0,0|1,0,2]=4 84 B2R0.1 O=C[O-] C18586 [1,0,0,0,0,0|1,0,2]=4 85 B2R0.1 O=Cl=O C18368 [1,0,0,0,0,0|2,0,1]=4 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|2,0,1]=4 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|2,0,1]=4 90 B2R0.1 O=[Mn]=O C21744 [1,0,0,0,0,0|2,0,1]=4 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|1,0,2]=4 95 B2R0.1 [*]C#N C01887 [1,0,0,0,0,0|1,0,2]=4 96 B2R0.1 [*]C#N C16072 [1,0,0,0,0,0|1,0,2]=4 97 B2R0.1 [*]C=O C00071 [1,0,0,0,0,0|1,0,2]=4 98 B2R0.1 [*]CC C21763 [1,0,0,0,0,0|1,0,0]=2 99 B2R0.1 [*]CN C00375 [1,0,0,0,0,0|1,0,0]=2 100 B2R0.1 [*]CO C00226 [1,0,0,0,0,0|1,0,0]=2 101 B2R0.1 [*]CO C00339 [1,0,0,0,0,0|1,0,0]=2 102 B2R0.1 [*]C[*] C01872 [1,0,0,0,0,0|2,0,0]=3 103 B2R0.1 [*]NC C02436 [1,0,0,0,0,0|2,0,0]=3 104 B2R0.1 [*]NO C02252 [1,0,0,0,0,0|2,0,0]=3 105 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|2,0,0]=3 107 B2R0.1 [*]OO C15498 [1,0,0,0,0,0|2,0,0]=3 108 B2R0.1 [*]SC C20791 [1,0,0,0,0,0|2,0,0]=3 109 B2R0.1 [*]SO C02245 [1,0,0,0,0,0|2,0,0]=3 110 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|1,0,2]=4 112 B2R0.1 [N-]=[N+]=[N-] C19935 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.1 C#CC(=O)O C00804 [0,1,0,0,0,0|1,0,2]=4 114 B4R0.1 C(=O)C(C)O C05999 [0,1,0,0,0,0|1,0,1]=3 115 B4R0.1 C=C(C)CCl C19363 [0,1,0,0,0,0|2,0,1]=4 116 B4R0.1 C=CC(=O)O C00511 [0,1,0,0,0,0|1,0,2]=4 117 B4R0.1 C=CC(=O)O C19501 [0,1,0,0,0,0|1,0,2]=4 118 B4R0.1 C=CC(N)=O C01659 [0,1,0,0,0,0|1,0,2]=4 119 B4R0.1 CC(=O)CN C01888 [0,1,0,0,0,0|0,0,2]=3 120 B4R0.1 CC(=O)CO C05235 [0,1,0,0,0,0|1,0,1]=3 121 B4R0.1 CC(=O)NN C07447 [0,1,0,0,0,0|1,0,2]=4 122 B4R0.1 CC(=O)NO C06808 [0,1,0,0,0,0|2,0,1]=4 123 B4R0.1 CC(C)=NO C01995 [0,1,0,0,0,0|2,0,1]=4 124 B4R0.1 CC(C)C#N C02420 [0,1,0,0,0,0|1,0,2]=4 125 B4R0.1 CC(C)CN C02787 [0,1,0,0,0,0|1,0,0]=2 126 B4R0.1 CC(C)CO C14710 [0,1,0,0,0,0|1,0,0]=2 127 B4R0.1 CC(Cl)CCl C19034 [0,1,0,0,0,0|2,0,0]=3 128 B4R0.1 CC(N)C#N C05714 [0,1,0,0,0,0|1,0,1]=3 129 B4R0.1 CC(O)CN C05771 [0,1,0,0,0,0|0,0,0]=1 130 B4R0.1 CC(O)CO C00583 [0,1,0,0,0,0|1,0,0]=2 131 B4R0.1 CCC(=O)O C00163 [0,1,0,0,0,0|1,0,1]=3 132 B4R0.1 CCC(C)=O C02845 [0,1,0,0,0,0|1,0,2]=4 133 B4R0.1 CCC(C)N C18706 [0,1,0,0,0,0|1,0,0]=2 134 B4R0.1 CC[N+](=O)[O-] C01837 [0,1,0,0,0,0|2,0,1]=4 135 B4R0.1 CNC(=N)N C02294 [0,1,0,0,0,0|2,0,1]=4 136 B4R0.1 CNC(N)=O C16363 [0,1,0,0,0,0|2,0,1]=4 137 B4R0.1 COC(N)=O C19445 [0,1,0,0,0,0|2,0,1]=4 138 B4R0.1 C[C@@H](O)C=O C00937 [0,1,0,0,0,0|1,0,1]=3 139 B4R0.1 C[C@@H](O)CN C03194 [0,1,0,0,0,0|0,0,0]=1 140 B4R0.1 C[C@@H](O)CO C02912 [0,1,0,0,0,0|1,0,0]=2 141 B4R0.1 C[C@H](O)C=O C00424 [0,1,0,0,0,0|1,0,1]=3 142 B4R0.1 C[C@H](O)CO C02917 [0,1,0,0,0,0|1,0,0]=2 143 B4R0.1 ClCC(Cl)Cl C19536 [0,1,0,0,0,0|2,0,0]=3 144 B4R0.1 N#CC(Br)Br C19396 [0,1,0,0,0,0|1,0,2]=4 145 B4R0.1 N#CC(Cl)Br C19353 [0,1,0,0,0,0|1,0,2]=4 146 B4R0.1 N#CC(Cl)Cl C19395 [0,1,0,0,0,0|1,0,2]=4 147 B4R0.1 N=CC(=O)O C15809 [0,1,0,0,0,0|0,0,3]=4 148 B4R0.1 NC(=O)CF C18675 [0,1,0,0,0,0|1,0,1]=3 149 B4R0.1 NC(=O)NO C07044 [0,1,0,0,0,0|1,0,1]=3 150 B4R0.1 NCC(=O)O C00037 [0,1,0,0,0,0|0,0,1]=2 151 B4R0.1 NNC(N)=O C02077 [0,1,0,0,0,0|1,0,2]=4 152 B4R0.1 NNC(N)=O C19521 [0,1,0,0,0,0|1,0,2]=4 153 B4R0.1 O=C(Cl)CCl C14859 [0,1,0,0,0,0|1,0,2]=4 154 B4R0.1 O=C(O)CCl C06755 [0,1,0,0,0,0|1,0,1]=3 155 B4R0.1 O=C(O)CF C06108 [0,1,0,0,0,0|1,0,1]=3 156 B4R0.1 O=C(O)CO C00160 [0,1,0,0,0,0|1,0,1]=3 157 B4R0.1 O=C(O)CO C03547 [0,1,0,0,0,0|1,0,1]=3 158 B4R0.1 O=C(O)CS C02086 [0,1,0,0,0,0|1,0,1]=3 159 B4R0.1 O=C([O-])CF C18588 [0,1,0,0,0,0|1,0,2]=4 160 B4R0.1 O=CC(=O)O C00048 [0,1,0,0,0,0|1,0,2]=4 161 B4R0.1 O=CC(Cl)Cl C14858 [0,1,0,0,0,0|1,0,2]=4 162 B4R0.1 OC(Cl)CCl C20305 [0,1,0,0,0,0|1,0,0]=2 163 B4R0.1 [*]C(=O)CO C03667 [0,1,0,0,0,0|1,0,1]=3 164 B4R0.1 [*]C(=O)NO C06443 [0,1,0,0,0,0|2,0,1]=4 165 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 [*]C(O)CO C00717 [0,1,0,0,0,0|1,0,0]=2 168 B4R0.1 [*]CC(=O)O C01812 [0,1,0,0,0,0|1,0,1]=3 169 B4R0.1 [*]CC([*])C C19505 [0,1,0,0,0,0|2,0,0]=3 170 B4R0.1 [*]CC([*])O C00980 [0,1,0,0,0,0|1,0,0]=2 171 B4R0.1 [*]OC([*])O C01707 [0,1,0,0,0,0|2,0,0]=3 172 B4R0.1 [*]OP(=O)O C03498 [0,1,0,0,0,0|3,0,0]=4 173 B4R0.1 [*][C@@H](O)CO C01506 [0,1,0,0,0,0|1,0,0]=2 174 B4R0.1 [*]\C(S)=N\O C17261 [0,1,0,0,0,0|2,0,1]=4 175 B4R0.2 C#CCC=O C06145 [0,1,0,0,0,0|1,0,2]=4 176 B4R0.2 C#CCCO C06146 [0,1,0,0,0,0|1,0,0]=2 177 B4R0.2 C=CCCN C12244 [0,1,0,0,0,0|1,0,0]=2 178 B4R0.2 CCC=S=O C08389 [0,1,0,0,0,0|1,0,2]=4 179 B4R0.2 CCCC=O C01412 [0,1,0,0,0,0|1,0,1]=3 180 B4R0.2 CCCCO C06142 [0,1,0,0,0,0|1,0,0]=2 181 B4R0.2 CCOCC C13240 [0,1,0,0,0,0|2,0,0]=3 182 B4R0.2 CCSCC C02272 [0,1,0,0,0,0|2,0,0]=3 183 B4R0.2 ClCOCCl C19158 [0,1,0,0,0,0|2,0,0]=3 184 B4R0.2 Cl\C=C/CCl C06610 [0,1,0,0,0,0|2,0,1]=4 185 B4R0.2 Cl\C=C\CCl C06609 [0,1,0,0,0,0|2,0,1]=4 186 B4R0.2 Cl\C=C\CCl C18627 [0,1,0,0,0,0|2,0,1]=4 187 B4R0.2 N#CCCN C05670 [0,1,0,0,0,0|1,0,0]=2 188 B4R0.2 NCCC=O C05665 [0,1,0,0,0,0|0,0,1]=2 189 B4R0.2 NCCCN C00986 [0,1,0,0,0,0|1,0,0]=2 190 B4R0.2 O=CCC=O C19440 [0,1,0,0,0,0|1,0,2]=4 191 B4R0.2 O=CCCO C00969 [0,1,0,0,0,0|1,0,0]=2 192 B4R0.2 OCCCO C02457 [0,1,0,0,0,0|1,0,0]=2 193 B4R0.2 OC\C=C/Cl C06612 [0,1,0,0,0,0|1,0,1]=3 194 B4R0.2 OC\C=C\Cl C06611 [0,1,0,0,0,0|1,0,1]=3 195 B4R0.2 [*]CCC=O C00609 [0,1,0,0,0,0|1,0,1]=3 196 B4R0.2 [Ru][O-2][Ru+10][O-2][Ru] C13932 [0,1,0,0,0,0|3,0,0]=4 197 B4R1.2 CC1CN1 C19257 [0,0,0,1,0,0|1,0,0]=2 198 B4R1.2 CC1CO1 C15508 [0,0,0,1,0,0|1,0,0]=2 199 B4R1.2 C[C@@H]1CO1 C11506 [0,0,0,1,0,0|1,0,0]=2 200 B4R1.2 C[C@H]1CO1 C11507 [0,0,0,1,0,0|1,0,0]=2 201 B4R1.2 ClC1CO1 C20303 [0,0,0,1,0,0|1,0,0]=2 202 B4R1.2 NC1CC1 C14150 [0,0,0,1,0,0|1,0,0]=2 203 B4R1.2 [CH2-]C1CC1 C05354 [0,0,0,1,0,0|2,0,0]=3 204 B1R0.1 C#C C01548 [2,0,0,0,0,0|0,0,2]=4 205 B1R0.1 C#N C01326 [2,0,0,0,0,0|0,0,2]=4 206 B1R0.1 C=C C06547 [2,0,0,0,0,0|0,0,2]=4 207 B1R0.1 C=C C19503 [2,0,0,0,0,0|0,0,2]=4 208 B1R0.1 C=O C00067 [2,0,0,0,0,0|0,0,2]=4 209 B1R0.1 CBr C18447 [2,0,0,0,0,0|1,0,0]=3 210 B1R0.1 CCl C19446 [2,0,0,0,0,0|1,0,0]=3 211 B1R0.1 CF C11147 [2,0,0,0,0,0|1,0,0]=3 212 B1R0.1 CI C18448 [2,0,0,0,0,0|1,0,0]=3 213 B1R0.1 CN C00218 [2,0,0,0,0,0|0,0,0]=2 214 B1R0.1 CO C00132 [2,0,0,0,0,0|0,0,0]=2 215 B1R0.1 CS C00409 [2,0,0,0,0,0|0,1,0]=3 216 B1R0.1 C[Hg+] C18672 [2,0,0,0,0,0|1,0,0]=3 217 B1R0.1 II C01382 [2,0,0,0,0,0|2,0,0]=4 218 B1R0.1 N#N C00697 [2,0,0,0,0,0|1,0,1]=4 219 B1R0.1 N=N C05360 [2,0,0,0,0,0|1,0,1]=4 220 B1R0.1 N=O C20937 [2,0,0,0,0,0|0,0,2]=4 221 B1R0.1 NCl C19359 [2,0,0,0,0,0|1,0,0]=3 222 B1R0.1 NN C05361 [2,0,0,0,0,0|1,0,0]=3 223 B1R0.1 NO C00192 [2,0,0,0,0,0|0,0,0]=2 224 B1R0.1 NO C11598 [2,0,0,0,0,0|0,0,0]=2 225 B1R0.1 O=O C00007 [2,0,0,0,0,0|1,0,1]=4 226 B1R0.1 OCl C19697 [2,0,0,0,0,0|1,0,0]=3 227 B1R0.1 OO C00027 [2,0,0,0,0,0|1,0,0]=3 228 B1R0.1 O[O] C21641 [2,0,0,0,0,0|1,0,0]=3 229 B1R0.1 [*]Br C00720 [2,0,0,0,0,0|2,0,0]=4 230 B1R0.1 [*]Cl C01334 [2,0,0,0,0,0|2,0,0]=4 231 B1R0.1 [*]I C01321 [2,0,0,0,0,0|2,0,0]=4 232 B1R0.1 [*]N C00706 [2,0,0,0,0,0|1,0,0]=3 233 B1R0.1 [*]N C00893 [2,0,0,0,0,0|1,0,0]=3 234 B1R0.1 [*]N C01664 [2,0,0,0,0,0|1,0,0]=3 235 B1R0.1 [*]N C01890 [2,0,0,0,0,0|1,0,0]=3 236 B1R0.1 [*]N C16240 [2,0,0,0,0,0|1,0,0]=3 237 B1R0.1 [*]N C16722 [2,0,0,0,0,0|1,0,0]=3 238 B1R0.1 [*]N C21300 [2,0,0,0,0,0|1,0,0]=3 239 B1R0.1 [*]O C00069 [2,0,0,0,0,0|1,0,0]=3 240 B1R0.1 [*]O C00863 [2,0,0,0,0,0|1,0,0]=3 241 B1R0.1 [*]O C01335 [2,0,0,0,0,0|1,0,0]=3 242 B1R0.1 [*]O C02525 [2,0,0,0,0,0|1,0,0]=3 243 B1R0.1 [*]O C03130 [2,0,0,0,0,0|1,0,0]=3 244 B1R0.1 [*]S C00145 [2,0,0,0,0,0|1,1,0]=4 245 B1R0.1 [*]S C00229 [2,0,0,0,0,0|1,1,0]=4 246 B1R0.1 [*]S C00812 [2,0,0,0,0,0|1,1,0]=4 247 B1R0.1 [*]S C01336 [2,0,0,0,0,0|1,1,0]=4 248 B1R0.1 [*]S C04298 [2,0,0,0,0,0|1,1,0]=4 249 B1R0.1 [*]S C11482 [2,0,0,0,0,0|1,1,0]=4 250 B1R0.1 [*]S C16736 [2,0,0,0,0,0|1,1,0]=4 251 B1R0.1 [*]S C21097 [2,0,0,0,0,0|1,1,0]=4 252 B1R0.1 [*][*] C01322 [2,0,0,0,0,0|2,0,0]=4 253 B1R0.1 [*][Hg+] C01343 [2,0,0,0,0,0|2,0,0]=4 254 B1R0.1 [C-]#N C00177 [2,0,0,0,0,0|0,0,2]=4 255 B1R0.1 [C-]#N C18673 [2,0,0,0,0,0|0,0,2]=4 256 B1R0.1 [C-]#[O+] C00237 [2,0,0,0,0,0|0,0,2]=4 257 B1R0.1 [H][H] C00282 [2,0,0,0,0,0|2,0,0]=4 258 B1R0.1 [N]=O C00533 [2,0,0,0,0,0|0,0,2]=4 259 B1R0.1 [O-][O-] C17732 [2,0,0,0,0,0|1,0,1]=4 260 B1R0.1 [O-][O-] C18566 [2,0,0,0,0,0|1,0,1]=4 261 B1R0.1 [O][O-] C00704 [2,0,0,0,0,0|1,0,1]=4 262 B1R0.1 [SeH]C C05703 [2,0,0,0,0,0|0,1,0]=3 263 B3R0.2 BrC(Br)Br C14707 [1,1,0,0,0,0|2,0,0]=4 264 B3R0.2 CC(=O)O C00033 [1,1,0,0,0,0|0,0,1]=3 265 B3R0.2 CC(=O)S C01857 [1,1,0,0,0,0|0,0,2]=4 266 B3R0.2 CC(=O)[O-] C12554 [1,1,0,0,0,0|0,0,2]=4 267 B3R0.2 CC(C)=O C00207 [1,1,0,0,0,0|0,0,2]=4 268 B3R0.2 CC(C)N C06748 [1,1,0,0,0,0|0,0,0]=2 269 B3R0.2 CC(C)O C01845 [1,1,0,0,0,0|0,0,0]=2 270 B3R0.2 CC(C)S C08391 [1,1,0,0,0,0|0,1,0]=3 271 B3R0.2 CC(Cl)Cl C18247 [1,1,0,0,0,0|1,0,0]=3 272 B3R0.2 CC(N)=O C06244 [1,1,0,0,0,0|0,0,1]=3 273 B3R0.2 CC(N)=S C19302 [1,1,0,0,0,0|0,0,1]=3 274 B3R0.2 CN(C)C C00565 [1,1,0,0,0,0|2,0,0]=4 275 B3R0.2 CN(C)N C19233 [1,1,0,0,0,0|1,0,0]=3 276 B3R0.2 CS(=O)O C21398 [1,1,0,0,0,0|1,0,0]=3 277 B3R0.2 CS(C)=O C11143 [1,1,0,0,0,0|1,0,1]=4 278 B3R0.2 C[As](C)O C20300 [1,1,0,0,0,0|1,0,0]=3 279 B3R0.2 C[As](O)O C07295 [1,1,0,0,0,0|1,0,0]=3 280 B3R0.2 C[N+](=O)[O-] C19275 [1,1,0,0,0,0|1,0,1]=4 281 B3R0.2 C[S+](C)C C01008 [1,1,0,0,0,0|2,0,0]=4 282 B3R0.2 C[Se+](C)C C18872 [1,1,0,0,0,0|2,0,0]=4 283 B3R0.2 C[Se](=O)O C18902 [1,1,0,0,0,0|1,0,0]=3 284 B3R0.2 ClC(Br)Br C14692 [1,1,0,0,0,0|2,0,0]=4 285 B3R0.2 ClC(Cl)Br C14708 [1,1,0,0,0,0|2,0,0]=4 286 B3R0.2 ClC(Cl)Cl C13827 [1,1,0,0,0,0|2,0,0]=4 287 B3R0.2 FC(F)Cl C19361 [1,1,0,0,0,0|2,0,0]=4 288 B3R0.2 IC(I)I C13383 [1,1,0,0,0,0|2,0,0]=4 289 B3R0.2 N=C(N)N C17349 [1,1,0,0,0,0|1,0,1]=4 290 B3R0.2 NC(=O)O C01563 [1,1,0,0,0,0|0,0,1]=3 291 B3R0.2 NC(N)=O C00086 [1,1,0,0,0,0|0,0,2]=4 292 B3R0.2 NC(N)=S C14415 [1,1,0,0,0,0|0,1,1]=4 293 B3R0.2 O=C(O)O C01353 [1,1,0,0,0,0|1,0,1]=4 294 B3R0.2 O=C([O-])O C00288 [1,1,0,0,0,0|1,0,1]=4 295 B3R0.2 O=C([O-])O C12603 [1,1,0,0,0,0|1,0,1]=4 296 B3R0.2 O=C([O-])O C18606 [1,1,0,0,0,0|1,0,1]=4 297 B3R0.2 O=Cl(=O)O C01485 [1,1,0,0,0,0|2,0,0]=4 298 B3R0.2 O=N(=O)O C00244 [1,1,0,0,0,0|2,0,0]=4 299 B3R0.2 O=S(O)O C00094 [1,1,0,0,0,0|2,0,0]=4 300 B3R0.2 O=S([O-])O C11481 [1,1,0,0,0,0|2,0,0]=4 301 B3R0.2 OB(O)O C12486 [1,1,0,0,0,0|2,0,0]=4 302 B3R0.2 P(=O)(O)O C06701 [1,1,0,0,0,0|2,0,0]=4 303 B3R0.2 [*]C(=O)O C00162 [1,1,0,0,0,0|1,0,1]=4 304 B3R0.2 [*]C(N)=O C00241 [1,1,0,0,0,0|0,0,2]=4 305 B3R0.2 [*]C(N)=O C01663 [1,1,0,0,0,0|0,0,2]=4 306 B3R0.2 [*]C(N)=O C03620 [1,1,0,0,0,0|0,0,2]=4 307 B3R0.2 [*]C([*])O C01612 [1,1,0,0,0,0|1,0,0]=3 308 B3R0.2 [*]C([*])O C01813 [1,1,0,0,0,0|1,0,0]=3 309 B3R0.2 [*]C([*])S C01525 [1,1,0,0,0,0|1,1,0]=4 310 B3R0.2 [*]S(=O)O C01615 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.1 C#CCC(=O)O C06144 [0,2,0,0,0,0|1,0,1]=4 312 B5R0.1 CC(=O)NCN C02297 [0,2,0,0,0,0|0,0,2]=4 313 B5R0.1 CC(C)=CCO C01390 [0,2,0,0,0,0|1,0,1]=4 314 B5R0.1 CC(C)CC=O C07329 [0,2,0,0,0,0|1,0,1]=4 315 B5R0.1 CC(C)CCN C02640 [0,2,0,0,0,0|1,0,0]=3 316 B5R0.1 CC(C)CCO C07328 [0,2,0,0,0,0|1,0,0]=3 317 B5R0.1 CC(C)CNO C21369 [0,2,0,0,0,0|1,0,0]=3 318 B5R0.1 CC(C)\C=N/O C20315 [0,2,0,0,0,0|1,0,1]=4 319 B5R0.1 CC(C)\C=N\O C03219 [0,2,0,0,0,0|1,0,1]=4 320 B5R0.1 CC(O)CCO C20335 [0,2,0,0,0,0|1,0,0]=3 321 B5R0.1 CCCC(=O)O C00246 [0,2,0,0,0,0|1,0,0]=3 322 B5R0.1 CCCC(C)=O C01949 [0,2,0,0,0,0|1,0,1]=4 323 B5R0.1 CCOC(N)=O C01537 [0,2,0,0,0,0|1,0,1]=4 324 B5R0.1 CNCC(=O)O C00213 [0,2,0,0,0,0|0,0,1]=3 325 B5R0.1 CSCC(=O)O C03173 [0,2,0,0,0,0|1,0,1]=4 326 B5R0.1 C\[N+]([O-])=N\CO C02390 [0,2,0,0,0,0|1,0,1]=4 327 B5R0.1 NC(=O)NCO C06384 [0,2,0,0,0,0|0,0,1]=3 328 B5R0.1 NCCC(=O)O C00099 [0,2,0,0,0,0|0,0,0]=2 329 B5R0.1 NCCC(N)=O C19779 [0,2,0,0,0,0|0,0,1]=3 330 B5R0.1 NCCS(=O)O C00519 [0,2,0,0,0,0|0,0,0]=2 331 B5R0.1 NCNC(N)=O C06383 [0,2,0,0,0,0|0,0,2]=4 332 B5R0.1 N\C=C/C(=O)O C20253 [0,2,0,0,0,0|0,0,2]=4 333 B5R0.1 O=C(O)CCO C01013 [0,2,0,0,0,0|1,0,0]=3 334 B5R0.1 O=CCC(=O)O C00222 [0,2,0,0,0,0|1,0,1]=4 335 B5R0.1 P(=O)(O)OCC C18401 [0,2,0,0,0,0|2,0,0]=4 336 B5R0.1 [*]CCC(=O)O C00347 [0,2,0,0,0,0|1,0,0]=3 337 B5R0.1 [*]CCC(=O)O C00638 [0,2,0,0,0,0|1,0,0]=3 338 B5R0.3 CCC(C)C#N C21525 [0,2,0,0,0,0|1,0,1]=4 339 B5R0.3 CCC(C)C=O C02223 [0,2,0,0,0,0|1,0,1]=4 340 B5R0.3 CN(C=O)CO C11488 [0,2,0,0,0,0|1,0,1]=4 341 B5R0.3 CN(CO)N=O C20301 [0,2,0,0,0,0|1,0,1]=4 342 B5R0.3 ClCC(Br)CBr C14336 [0,2,0,0,0,0|2,0,0]=4 343 B5R0.3 ClCC(Cl)CCl C14400 [0,2,0,0,0,0|2,0,0]=4 344 B5R0.3 NC[C@H](O)CO C06057 [0,2,0,0,0,0|0,0,0]=2 345 B5R0.3 O=C(CO)CO C00184 [0,2,0,0,0,0|1,0,0]=3 346 B5R0.3 O=CC(O)CO C02154 [0,2,0,0,0,0|1,0,0]=3 347 B5R0.3 O=C[C@@H](O)CO C02426 [0,2,0,0,0,0|1,0,0]=3 348 B5R0.3 O=C[C@H](O)CO C00577 [0,2,0,0,0,0|1,0,0]=3 349 B5R0.3 OC(CCl)CCl C14399 [0,2,0,0,0,0|1,0,0]=3 350 B5R0.3 OCC(Br)CBr C19224 [0,2,0,0,0,0|1,0,0]=3 351 B5R0.3 OCC(O)CCl C18676 [0,2,0,0,0,0|1,0,0]=3 352 B5R0.3 OCC(O)CO C00116 [0,2,0,0,0,0|1,0,0]=3 353 B5R0.3 OCC(S)CS C02924 [0,2,0,0,0,0|1,0,0]=3 354 B5R0.4 C=CC(C)(C)O C21402 [0,2,0,0,0,0|1,0,1]=4 355 B5R0.4 CC(C)(O)C#N C02659 [0,2,0,0,0,0|0,0,2]=4 356 B5R0.4 CC(C)(O)C=O C21291 [0,2,0,0,0,0|1,0,1]=4 357 B5R0.4 CC(C)(O)CO C21290 [0,2,0,0,0,0|1,0,0]=3 358 B5R0.4 CCC(C)(C)O C21401 [0,2,0,0,0,0|1,0,0]=3 359 B5R0.4 ClCC(Cl)(Cl)Cl C14705 [0,2,0,0,0,0|2,0,0]=4 360 B5R0.4 FC(F)(F)CCl C19367 [0,2,0,0,0,0|2,0,0]=4 361 B5R0.4 NCP(=O)(O)O C11033 [0,2,0,0,0,0|1,0,0]=3 362 B5R0.4 NOP(=O)(O)O C03629 [0,2,0,0,0,0|2,0,0]=4 363 B5R0.4 O=P(O)(O)CO C06455 [0,2,0,0,0,0|2,0,0]=4 364 B5R0.4 OCC(Cl)(Cl)Cl C07490 [0,2,0,0,0,0|1,0,0]=3 365 B5R0.4 [*]C([*])(O)C#N C05712 [0,2,0,0,0,0|0,0,2]=4 366 B5R0.4 [*]C([*])(O)C#N C18797 [0,2,0,0,0,0|0,0,2]=4 367 B5R0.4 [*]CS(=O)(=O)O C15521 [0,2,0,0,0,0|2,0,0]=4 368 B5R0.5 C=C(N)C(=O)O C02218 [0,2,0,0,0,0|0,0,2]=4 369 B5R0.5 CC(=O)C(C)O C00466 [0,2,0,0,0,0|1,0,1]=4 370 B5R0.5 CC(=O)[C@@H](C)O C00810 [0,2,0,0,0,0|1,0,1]=4 371 B5R0.5 CC(=O)[C@H](C)O C01769 [0,2,0,0,0,0|1,0,1]=4 372 B5R0.5 CC(C)C(=O)O C02632 [0,2,0,0,0,0|1,0,1]=4 373 B5R0.5 CC(N)C(=O)O C01401 [0,2,0,0,0,0|0,0,1]=3 374 B5R0.5 CC(O)C(=O)O C01432 [0,2,0,0,0,0|1,0,1]=4 375 B5R0.5 C[C@@H](N)C(=O)O C00133 [0,2,0,0,0,0|0,0,1]=3 376 B5R0.5 C[C@@H](O)C(=O)O C00256 [0,2,0,0,0,0|1,0,1]=4 377 B5R0.5 C[C@@H](O)[C@@H](C)O C03044 [0,2,0,0,0,0|1,0,0]=3 378 B5R0.5 C[C@H](Cl)C(=O)O C20608 [0,2,0,0,0,0|1,0,1]=4 379 B5R0.5 C[C@H](N)C(=O)O C00041 [0,2,0,0,0,0|0,0,1]=3 380 B5R0.5 C[C@H](O)C(=O)O C00186 [0,2,0,0,0,0|1,0,1]=4 381 B5R0.5 C[C@H](O)[C@@H](C)O C20657 [0,2,0,0,0,0|1,0,0]=3 382 B5R0.5 C[C@H](O)[C@H](C)O C03046 [0,2,0,0,0,0|1,0,0]=3 383 B5R0.5 ClC(Cl)C(Cl)Cl C19534 [0,2,0,0,0,0|2,0,0]=4 384 B5R0.5 NC(=O)C(=O)O C01444 [0,2,0,0,0,0|0,0,2]=4 385 B5R0.5 O=C(O)C(Br)Br C20123 [0,2,0,0,0,0|1,0,1]=4 386 B5R0.5 O=C(O)C(Cl)Br C19212 [0,2,0,0,0,0|1,0,1]=4 387 B5R0.5 O=C(O)C(Cl)Cl C11149 [0,2,0,0,0,0|1,0,1]=4 388 B5R0.5 OC(O)C(Cl)Cl C14860 [0,2,0,0,0,0|1,0,0]=3 389 B5R0.5 [*]C(=O)C([*])O C01398 [0,2,0,0,0,0|1,0,1]=4 390 B5R0.5 [*]C(=O)[C@H]([*])N C01076 [0,2,0,0,0,0|0,0,2]=4 391 B5R0.5 [*]C(C)C(=O)O C06389 [0,2,0,0,0,0|1,0,1]=4 392 B5R0.5 [*]C(N)C(=O)O C00045 [0,2,0,0,0,0|0,0,1]=3 393 B5R0.5 [*]C(N)C(=O)O C05167 [0,2,0,0,0,0|0,0,1]=3 394 B5R0.5 [*]C(O)C(=O)O C02929 [0,2,0,0,0,0|1,0,1]=4 395 B5R0.5 [*]C([*])C(=O)O C02103 [0,2,0,0,0,0|1,0,1]=4 396 B5R0.5 [*]C([*])C(=O)O C15564 [0,2,0,0,0,0|1,0,1]=4 397 B5R0.5 [*][C@@H](N)C(=O)O C00405 [0,2,0,0,0,0|0,0,1]=3 398 B5R0.5 [*][C@@H](O)C(=O)O C02489 [0,2,0,0,0,0|1,0,1]=4 399 B5R0.5 [*][C@H](N)C(=O)O C00151 [0,2,0,0,0,0|0,0,1]=3 400 B5R0.5 [*][C@H](O)C(=O)O C15565 [0,2,0,0,0,0|1,0,1]=4 401 B5R0.2 CCCCCC C11271 [0,2,0,0,0,0|2,0,0]=4 402 B5R0.2 CCCCCO C16834 [0,2,0,0,0,0|1,0,0]=3 403 B5R0.2 CCNNCC C19227 [0,2,0,0,0,0|2,0,0]=4 404 B5R0.2 CCOCCO C14687 [0,2,0,0,0,0|1,0,0]=3 405 B5R0.2 CSCCCN C03354 [0,2,0,0,0,0|0,1,0]=3 406 B5R0.2 ClC\C=C\CCl C19398 [0,2,0,0,0,0|2,0,0]=4 407 B5R0.2 NCCCC=O C00555 [0,2,0,0,0,0|0,0,1]=3 408 B5R0.2 NCCCC=O C02903 [0,2,0,0,0,0|0,0,1]=3 409 B5R0.2 NCCCCN C00134 [0,2,0,0,0,0|1,0,0]=3 410 B5R0.2 NCCCCN C02896 [0,2,0,0,0,0|1,0,0]=3 411 B5R0.2 O=CC#CCO C02648 [0,2,0,0,0,0|1,0,1]=4 412 B5R0.2 O=CCCC=O C16835 [0,2,0,0,0,0|1,0,1]=4 413 B5R0.2 OCC#CCO C02497 [0,2,0,0,0,0|1,0,0]=3 414 B3R1.1 C1CN1 C11687 [1,0,0,1,0,0|0,0,0]=2 415 B3R1.1 C1CO1 C06548 [1,0,0,1,0,0|0,0,0]=2 416 B3R1.1 C1CS1 C19419 [1,0,0,1,0,0|0,1,0]=3 417 B5R1.2 O=C1CCO1 C19297 [0,1,0,1,0,0|1,0,0]=3 418 B5R1.3 CCC1CO1 C19237 [0,1,0,1,0,0|1,0,0]=3 419 B5R1.3 ClCC1CO1 C14449 [0,1,0,1,0,0|1,0,0]=3 420 B5R1.3 O=CC1CO1 C19246 [0,1,0,1,0,0|1,0,0]=3 421 B5R1.3 OCC1CO1 C10920 [0,1,0,1,0,0|1,0,0]=3 422 B5R1.4 [*]C1OC1[*] C00722 [0,1,0,1,0,0|1,0,0]=3 423 B5R1.5 ClC1(Cl)CO1 C14857 [0,1,0,1,0,0|1,0,0]=3 424 B5R1.1 C1=NCCC1 C15668 [0,1,0,1,0,0|1,0,1]=4