0 B2R0.1 CC=O HMDB0000990 [0,0,0,0,0,0|2,0,0]=2 1 B2R0.1 CCC HMDB0031630 [0,0,0,0,0,0|3,0,0]=3 2 B2R0.1 CCN HMDB0013231 [0,0,0,0,0,0|3,0,0]=3 3 B2R0.1 CNC HMDB0000087 [0,0,0,0,0,0|2,0,1]=3 4 B2R0.1 CSC HMDB0002303 [0,0,0,0,0,0|3,0,0]=3 5 B2R0.1 ClCCl HMDB0031548 [0,0,0,0,0,0|3,0,0]=3 6 B2R0.1 NC=O HMDB0001536 [0,0,0,0,0,0|2,0,0]=2 7 B2R0.1 O=C=O HMDB0001967 [0,0,0,0,0,0|1,0,1]=2 8 B2R0.1 O=[Te]=O HMDB0012288 [0,0,0,0,0,0|1,0,1]=2 9 B2R0.1 [O-]C#N HMDB0002078 [0,0,0,0,0,0|2,0,1]=3 10 B2R0.1 [O-]N=O HMDB0002786 [0,0,0,0,0,0|0,0,1]=1 11 B2R0.1 [O-][Cl]=O HMDB0002077 [0,0,0,0,0,0|1,0,1]=2 12 B2R0.1 [S-]C#N HMDB0001453 [0,0,0,0,0,0|2,1,0]=3 13 B1R0.1 BrBr HMDB0031434 [1,0,0,0,0,0|2,0,0]=3 14 B1R0.1 C#[N-] HMDB0002084 [1,0,0,0,0,0|1,0,1]=3 15 B1R0.1 C=C HMDB0029594 [1,0,0,0,0,0|2,0,0]=3 16 B1R0.1 C=O HMDB0001426 [1,0,0,0,0,0|1,0,0]=2 17 B1R0.1 CBr HMDB0031524 [1,0,0,0,0,0|2,0,0]=3 18 B1R0.1 CN HMDB0000164 [1,0,0,0,0,0|1,0,1]=3 19 B1R0.1 CS HMDB0003227 [1,0,0,0,0,0|1,1,0]=3 20 B1R0.1 Cl[Tl] HMDB0013724 [1,0,0,0,0,0|2,0,0]=3 21 B1R0.1 NN HMDB0012973 [1,0,0,0,0,0|1,0,1]=3 22 B1R0.1 NO HMDB0003338 [1,0,0,0,0,0|0,0,1]=2 23 B1R0.1 O=O HMDB0001377 [1,0,0,0,0,0|0,0,1]=2 24 B1R0.1 OO HMDB0003125 [1,0,0,0,0,0|0,0,1]=2 25 B1R0.1 [C-]#[O+] HMDB0001361 [1,0,0,0,0,0|1,0,1]=3 26 B1R0.1 [H][H] HMDB0001362 [1,0,0,0,0,0|2,0,0]=3 27 B1R0.1 [NH3+][O-] HMDB0032439 [1,0,0,0,0,0|0,0,2]=3 28 B1R0.1 [N]=O HMDB0003378 [1,0,0,0,0,0|0,0,1]=2 29 B1R0.1 [O-]Cl HMDB0001050 [1,0,0,0,0,0|1,0,1]=3 30 B1R0.1 [O][O-] HMDB0002168 [1,0,0,0,0,0|0,0,2]=3 31 B3R0.1 C(=O)CCl HMDB0013860 [0,1,0,0,0,0|2,0,0]=3 32 B3R0.1 C/C=N/O HMDB0003656 [0,1,0,0,0,0|1,0,0]=2 33 B3R0.1 CCC=O HMDB0003366 [0,1,0,0,0,0|2,0,0]=3 34 B3R0.1 CCCO HMDB0000820 [0,1,0,0,0,0|2,0,0]=3 35 B3R0.1 CCSC HMDB0031238 [0,1,0,0,0,0|2,1,0]=4 36 B3R0.1 CNC=O HMDB0001122 [0,1,0,0,0,0|1,0,1]=3 37 B3R0.1 COCCl HMDB0031332 [0,1,0,0,0,0|2,0,0]=3 38 B3R0.1 COOC HMDB0031430 [0,1,0,0,0,0|2,0,0]=3 39 B3R0.1 CSCS HMDB0032428 [0,1,0,0,0,0|1,2,0]=4 40 B3R0.1 CSSC HMDB0005879 [0,1,0,0,0,0|2,1,0]=4 41 B3R0.1 CS[Se]C HMDB0030879 [0,1,0,0,0,0|2,1,0]=4 42 B3R0.1 ClCCCl HMDB0029571 [0,1,0,0,0,0|3,0,0]=4 43 B3R0.1 NCCN HMDB0031225 [0,1,0,0,0,0|3,0,0]=4 44 B3R0.1 NCCO HMDB0000149 [0,1,0,0,0,0|2,0,0]=3 45 B3R0.1 NCCS HMDB0002991 [0,1,0,0,0,0|2,1,0]=4 46 B3R0.1 O=CC#C HMDB0006803 [0,1,0,0,0,0|2,0,0]=3 47 B3R0.1 OCC=C HMDB0031652 [0,1,0,0,0,0|2,0,0]=3 48 B3R0.1 OCC=O HMDB0003344 [0,1,0,0,0,0|1,0,0]=2 49 B3R0.1 OCCO HMDB0032262 [0,1,0,0,0,0|1,0,1]=3 50 B3R0.1 OSC#N HMDB0012974 [0,1,0,0,0,0|2,0,0]=3 51 B3R0.1 SCC=C HMDB0031635 [0,1,0,0,0,0|2,1,0]=4 52 B3R0.1 SCCS HMDB0031707 [0,1,0,0,0,0|1,2,0]=4 53 B3R0.1 [O-]ON=O HMDB0002179 [0,1,0,0,0,0|0,0,0]=1 54 B3R0.2 CC(C)=O HMDB0001659 [0,1,0,0,0,0|2,0,0]=3 55 B3R0.2 CC(C)O HMDB0000863 [0,1,0,0,0,0|2,0,0]=3 56 B3R0.2 CC(C)S HMDB0031634 [0,1,0,0,0,0|2,1,0]=4 57 B3R0.2 CC(N)=O HMDB0031645 [0,1,0,0,0,0|2,0,0]=3 58 B3R0.2 CC(O)=O HMDB0000042 [0,1,0,0,0,0|1,0,0]=2 59 B3R0.2 CC(S)=O HMDB0031188 [0,1,0,0,0,0|1,1,0]=3 60 B3R0.2 CC(S)S HMDB0032253 [0,1,0,0,0,0|1,2,0]=4 61 B3R0.2 C[As](C)O HMDB0012216 [0,1,0,0,0,0|1,1,0]=3 62 B3R0.2 C[As](O)O HMDB0012259 [0,1,0,0,0,0|0,1,1]=3 63 B3R0.2 C[S+](C)C HMDB0012295 [0,1,0,0,0,0|3,0,0]=4 64 B3R0.2 C[Se+](C)C HMDB0042052 [0,1,0,0,0,0|3,0,0]=4 65 B3R0.2 ClC(Cl)=C HMDB0032554 [0,1,0,0,0,0|3,0,0]=4 66 B3R0.2 ClC(Cl)Cl HMDB0029596 [0,1,0,0,0,0|3,0,0]=4 67 B3R0.2 NC(N)=N HMDB0001842 [0,1,0,0,0,0|3,0,0]=4 68 B3R0.2 NC(N)=O HMDB0000294 [0,1,0,0,0,0|2,0,0]=3 69 B3R0.2 NC(O)=O HMDB0003551 [0,1,0,0,0,0|1,0,0]=2 70 B3R0.2 OC(O)=O HMDB0003538 [0,1,0,0,0,0|1,0,0]=2 71 B3R0.2 OC([O-])=O HMDB0000595 [0,1,0,0,0,0|1,0,0]=2 72 B3R0.2 OS([O-])=O HMDB0001033 [0,1,0,0,0,0|1,0,0]=2 73 B3R0.2 [O-]C([O-])=O HMDB0031453 [0,1,0,0,0,0|1,0,1]=3 74 B3R0.2 [O-]P([O-])[O-] HMDB0001443 [0,1,0,0,0,0|0,1,2]=4 75 B3R0.2 [O-]S([O-])=O HMDB0000240 [0,1,0,0,0,0|1,0,1]=3 76 B3R0.2 [O-][As]([O-])[O-] HMDB0011620 [0,1,0,0,0,0|0,1,2]=4 77 B3R0.2 [O-][Cl](=O)=O HMDB0002036 [0,1,0,0,0,0|1,0,1]=3 78 B3R0.2 [O-][I](=O)=O HMDB0001061 [0,1,0,0,0,0|1,0,1]=3 79 B3R0.2 [O-][N+]([O-])=O HMDB0002878 [0,1,0,0,0,0|0,0,2]=3 80 B3R0.2 [O-][Se]([O-])=O HMDB0011119 [0,1,0,0,0,0|1,0,1]=3 81 B0R0.1 C HMDB0002714 [2,0,0,0,0,0|0,0,0]=2 82 B0R0.1 Cl HMDB0002306 [2,0,0,0,0,0|0,0,0]=2 83 B0R0.1 N HMDB0000051 [2,0,0,0,0,0|0,0,0]=2 84 B0R0.1 O HMDB0001417 [2,0,0,0,0,0|0,0,0]=2 85 B0R0.1 O HMDB0002111 [2,0,0,0,0,0|0,0,0]=2 86 B0R0.1 O HMDB0012260 [2,0,0,0,0,0|0,0,0]=2 87 B0R0.1 S HMDB0003276 [2,0,0,0,0,0|0,0,0]=2 88 B0R0.1 [As+3] HMDB0002290 [2,0,0,0,0,0|0,0,0]=2 89 B0R0.1 [Au+] HMDB0004138 [2,0,0,0,0,0|0,0,0]=2 90 B0R0.1 [Ba+2] HMDB0004142 [2,0,0,0,0,0|0,0,0]=2 91 B0R0.1 [Cl-] HMDB0000492 [2,0,0,0,0,0|0,0,0]=2 92 B0R0.1 [Fe+3] HMDB0012943 [2,0,0,0,0,0|0,0,0]=2 93 B0R0.1 [I-] HMDB0012238 [2,0,0,0,0,0|0,0,0]=2 94 B0R0.1 [Li+] HMDB0005949 [2,0,0,0,0,0|0,0,0]=2 95 B0R0.1 [NH4+] HMDB0041827 [2,0,0,0,0,0|0,0,0]=2 96 B0R0.1 [Nd] HMDB0013715 [2,0,0,0,0,0|0,0,0]=2 97 B0R0.1 [OH-] HMDB0001039 [2,0,0,0,0,0|0,0,0]=2 98 B0R0.1 [Re] HMDB0013719 [2,0,0,0,0,0|0,0,0]=2 99 B0R0.1 [Ru] HMDB0013668 [2,0,0,0,0,0|0,0,0]=2 100 B0R0.1 [SeH2] HMDB0011110 [2,0,0,0,0,0|0,0,0]=2 101 B0R0.1 [Ta+5] HMDB0004143 [2,0,0,0,0,0|0,0,0]=2 102 B0R0.1 [Y] HMDB0013667 [2,0,0,0,0,0|0,0,0]=2 103 B0R0.1 [Zr+4] HMDB0001475 [2,0,0,0,0,0|0,0,0]=2 104 B4R0.1 CC(=O)C=O HMDB0001167 [0,2,0,0,0,0|1,0,1]=4 105 B4R0.1 CC(=O)CN HMDB0002134 [0,2,0,0,0,0|2,0,0]=4 106 B4R0.1 CC(=O)CO HMDB0006961 [0,2,0,0,0,0|1,0,0]=3 107 B4R0.1 CC(=O)CS HMDB0030025 [0,2,0,0,0,0|1,1,0]=4 108 B4R0.1 CC(=O)OO HMDB0031608 [0,2,0,0,0,0|1,0,0]=3 109 B4R0.1 CC(C)C=O HMDB0031243 [0,2,0,0,0,0|2,0,0]=4 110 B4R0.1 CC(C)CO HMDB0006006 [0,2,0,0,0,0|2,0,0]=4 111 B4R0.1 CC(Cl)CO HMDB0031335 [0,2,0,0,0,0|2,0,0]=4 112 B4R0.1 CC(O)CN HMDB0012136 [0,2,0,0,0,0|2,0,0]=4 113 B4R0.1 CCC(C)=O HMDB0000474 [0,2,0,0,0,0|2,0,0]=4 114 B4R0.1 CCC(C)O HMDB0011469 [0,2,0,0,0,0|2,0,0]=4 115 B4R0.1 CN(C)N=O HMDB0031419 [0,2,0,0,0,0|1,0,0]=3 116 B4R0.1 COC(C)=O HMDB0031523 [0,2,0,0,0,0|1,0,0]=3 117 B4R0.1 CSC(C)=O HMDB0031189 [0,2,0,0,0,0|1,1,0]=4 118 B4R0.1 C[C@@H](O)C=O HMDB0006458 [0,2,0,0,0,0|1,0,0]=3 119 B4R0.1 C[C@H](O)C=O HMDB0003052 [0,2,0,0,0,0|1,0,0]=3 120 B4R0.1 C[C@H](O)CO HMDB0006213 [0,2,0,0,0,0|1,0,1]=4 121 B4R0.1 NC(=O)C=C HMDB0004296 [0,2,0,0,0,0|2,0,0]=4 122 B4R0.1 NC(=O)C=C HMDB0032161 [0,2,0,0,0,0|2,0,0]=4 123 B4R0.1 NCC(O)=O HMDB0000123 [0,2,0,0,0,0|1,0,0]=3 124 B4R0.1 OC(=O)C#C HMDB0006804 [0,2,0,0,0,0|1,0,0]=3 125 B4R0.1 OC(=O)C=C HMDB0031647 [0,2,0,0,0,0|1,0,0]=3 126 B4R0.1 OC(=O)C=O HMDB0000119 [0,2,0,0,0,0|1,0,0]=3 127 B4R0.1 OC(=O)CCl HMDB0031331 [0,2,0,0,0,0|1,0,0]=3 128 B4R0.1 OCC(O)=O HMDB0000115 [0,2,0,0,0,0|1,0,0]=3 129 B4R0.1 O[S](O)C#N HMDB0012916 [0,2,0,0,0,0|1,0,1]=4 130 B4R0.2 C/C=C/SO HMDB0031636 [0,2,0,0,0,0|2,0,0]=4 131 B4R0.2 CCCC=O HMDB0003543 [0,2,0,0,0,0|2,0,0]=4 132 B4R0.2 CCCCO HMDB0004327 [0,2,0,0,0,0|2,0,0]=4 133 B4R0.2 CCCSO HMDB0030299 [0,2,0,0,0,0|2,0,0]=4 134 B4R0.2 CCOC=O HMDB0031229 [0,2,0,0,0,0|1,0,0]=3 135 B4R0.2 CCON=O HMDB0031239 [0,2,0,0,0,0|0,0,0]=2 136 B4R0.2 CSCC=O HMDB0031718 [0,2,0,0,0,0|1,1,0]=4 137 B4R0.2 CSCCO HMDB0032425 [0,2,0,0,0,0|1,1,0]=4 138 B4R0.2 NCCC=O HMDB0001106 [0,2,0,0,0,0|2,0,0]=4 139 B4R0.2 O=CCC#C HMDB0006853 [0,2,0,0,0,0|2,0,0]=4 140 B4R0.2 O=CCC=O HMDB0006112 [0,2,0,0,0,0|1,0,1]=4 141 B4R0.2 OCCC=C HMDB0031324 [0,2,0,0,0,0|2,0,0]=4 142 B4R0.2 OCCC=O HMDB0003453 [0,2,0,0,0,0|1,0,0]=3 143 B4R0.3 CC(C)(C)O HMDB0031456 [0,2,0,0,0,0|2,0,0]=4 144 B4R0.3 CS(C)(=O)=O HMDB0004983 [0,2,0,0,0,0|1,0,1]=4 145 B4R0.3 C[As](C)([O-])=O HMDB0011625 [0,2,0,0,0,0|0,1,1]=4 146 B4R0.3 C[As](O)(O)=O HMDB0012258 [0,2,0,0,0,0|0,1,0]=3 147 B4R0.3 OP(O)(O)=O HMDB0002142 [0,2,0,0,0,0|0,1,0]=3 148 B4R0.3 OP(O)(O)=[Se] HMDB0003840 [0,2,0,0,0,0|0,1,1]=4 149 B4R0.3 OP(O)([O-])=[Se] HMDB0006407 [0,2,0,0,0,0|0,1,1]=4 150 B4R0.3 OP([O-])([O-])=O HMDB0000973 [0,2,0,0,0,0|0,1,0]=3 151 B4R0.3 O[As](O)(O)=O HMDB0012190 [0,2,0,0,0,0|0,1,0]=3 152 B4R0.3 O[Si](O)(O)O HMDB0031436 [0,2,0,0,0,0|1,0,1]=4 153 B4R0.3 [O-]P([O-])([O-])=O HMDB0001429 [0,2,0,0,0,0|0,1,1]=4 154 B4R0.3 [O-]S([O-])(=O)=O HMDB0001448 [0,2,0,0,0,0|1,0,1]=4 155 B4R0.3 [O-]S([S-])(=O)=O HMDB0000257 [0,2,0,0,0,0|1,0,1]=4 156 B4R1.2 CC1CO1 HMDB0031558 [0,1,0,1,0,0|2,0,0]=4 157 B4R1.2 CC1CO1 HMDB0032263 [0,1,0,1,0,0|2,0,0]=4