0 B4R0.1 C=CC(=O)O DB02579 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 CC(=O)C=O DB03587 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 CC(=O)NO DB00551 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CC(=O)O[Hg+] DB02176 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CC(O)CO DB01839 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 CC[C@@H](C)O DB02606 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 CN(C)C=O DB01844 [0,0,0,0,0,0|1,0,0]=1 7 B4R0.1 C[C@@H](Cl)CCl DB01701 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C[C@@H](O)CO DB02159 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 C[C@H](O)C=O DB03776 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 C[C@H](O)CBr DB03335 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C[C@H](O)CO DB04349 [0,0,0,0,0,0|1,0,2]=3 12 B4R0.1 C[C@H](O)C[NH3+] DB02576 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 ClC=C(Cl)Cl DB13323 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 O=CC(=O)O DB04343 [0,0,0,0,0,0|2,0,1]=3 15 B3R0.1 C#[N+]CC DB03399 [1,0,0,0,0,0|2,0,0]=3 16 B3R0.1 C(N)=CS DB01968 [1,0,0,0,0,0|1,1,1]=4 17 B3R0.1 CCCO DB03175 [1,0,0,0,0,0|0,0,2]=3 18 B3R0.1 CCN=O DB02646 [1,0,0,0,0,0|1,0,0]=2 19 B3R0.1 CCNC DB02396 [1,0,0,0,0,0|2,0,0]=3 20 B3R0.1 CN=C=O DB12765 [1,0,0,0,0,0|1,0,1]=3 21 B3R0.1 ClCCCl DB03733 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.1 N=CCN DB02108 [1,0,0,0,0,0|2,0,0]=3 23 B3R0.1 NCCN DB14189 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.1 NCCO DB03994 [1,0,0,0,0,0|1,0,2]=4 25 B3R0.1 NCCS DB00847 [1,0,0,0,0,0|1,1,1]=4 26 B3R0.1 O=BOO DB13235 [1,0,0,0,0,0|3,0,0]=4 27 B3R0.1 OCCS DB03345 [1,0,0,0,0,0|1,0,2]=4 28 B3R0.2 BrC(Br)Br DB03054 [1,0,0,0,0,0|3,0,0]=4 29 B3R0.2 C(I)(I)I DB13813 [1,0,0,0,0,0|3,0,0]=4 30 B3R0.2 CC(=O)O DB03166 [1,0,0,0,0,0|1,0,1]=3 31 B3R0.2 CC(=O)[O-] DB00258 [1,0,0,0,0,0|1,0,1]=3 32 B3R0.2 CC(=O)[O-] DB09395 [1,0,0,0,0,0|1,0,1]=3 33 B3R0.2 CC(=O)[O-] DB09409 [1,0,0,0,0,0|1,0,1]=3 34 B3R0.2 CC(=O)[O-] DB13996 [1,0,0,0,0,0|1,0,1]=3 35 B3R0.2 CC(C)O DB02325 [1,0,0,0,0,0|0,0,1]=2 36 B3R0.2 CC(N)=O DB02736 [1,0,0,0,0,0|1,0,1]=3 37 B3R0.2 CS(C)=O DB01093 [1,0,0,0,0,0|1,0,0]=2 38 B3R0.2 C[P@@H](=O)[O-] DB02825 [1,0,0,0,0,0|2,0,0]=3 39 B3R0.2 C[P@H](=O)O DB02845 [1,0,0,0,0,0|2,0,0]=3 40 B3R0.2 NC(=O)O DB04261 [1,0,0,0,0,0|2,0,1]=4 41 B3R0.2 NC(N)=O DB03904 [1,0,0,0,0,0|2,0,1]=4 42 B3R0.2 N[14C](N)=O DB09513 [1,0,0,0,0,0|2,0,1]=4 43 B3R0.2 O=C([O-])O DB01390 [1,0,0,0,0,0|2,0,1]=4 44 B3R0.2 O=C([O-])O DB11098 [1,0,0,0,0,0|2,0,1]=4 45 B3R0.2 O=C([O-])[O-] DB06724 [1,0,0,0,0,0|2,0,1]=4 46 B3R0.2 O=C([O-])[O-] DB06792 [1,0,0,0,0,0|2,0,1]=4 47 B3R0.2 O=C([O-])[O-] DB09460 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.2 O=C([O-])[O-] DB09481 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.2 O=C([O-])[O-] DB13322 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.2 O=C([O-])[O-] DB13977 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.2 O=S([O-])O DB14015 [1,0,0,0,0,0|3,0,0]=4 52 B3R0.2 O=[Mo+6](O)O DB04494 [1,0,0,0,0,0|3,0,0]=4 53 B3R0.2 O=[Mo](=O)S DB03328 [1,0,0,0,0,0|3,0,0]=4 54 B3R0.2 O=[N+]([O-])[O-] DB05260 [1,0,0,0,0,0|3,0,0]=4 55 B3R0.2 O=[N+]([O-])[O-] DB11090 [1,0,0,0,0,0|3,0,0]=4 56 B3R0.2 O=[N+]([O-])[O-] DB13209 [1,0,0,0,0,0|3,0,0]=4 57 B3R0.2 O=[Se](O)O DB11127 [1,0,0,0,0,0|3,0,0]=4 58 B3R0.2 O=[Si]([O-])[O-] DB14116 [1,0,0,0,0,0|2,1,0]=4 59 B3R0.2 OCl(=O)=O DB14150 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 CC(C)CCO DB02296 [0,1,0,0,0,0|0,0,2]=3 61 B5R0.1 CC(O)CCO DB14110 [0,1,0,0,0,0|1,0,2]=4 62 B5R0.1 CN(C)CCO DB13352 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.1 C[C@H](O)CCO DB02202 [0,1,0,0,0,0|1,0,2]=4 64 B5R0.3 O=C[C@H](O)CO DB02536 [0,1,0,0,0,0|1,0,0]=2 65 B5R0.3 OCC(O)CO DB09462 [0,1,0,0,0,0|1,0,2]=4 66 B5R0.3 OCC(S)CS DB06782 [0,1,0,0,0,0|1,0,2]=4 67 B5R0.3 OC[C@@H](O)CS DB03864 [0,1,0,0,0,0|1,0,2]=4 68 B5R0.4 CC(C)(O)C#N DB02203 [0,1,0,0,0,0|1,0,1]=3 69 B5R0.4 CC[Si](C)(C)C DB02265 [0,1,0,0,0,0|1,1,1]=4 70 B5R0.4 O=CC(Cl)(Cl)Cl DB02650 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.5 C=C(N)C(=O)O DB02688 [0,1,0,0,0,0|1,0,2]=4 72 B5R0.5 C=C(N)C(N)=O DB02002 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.5 CC(=O)C(=O)O DB00119 [0,1,0,0,0,0|1,0,1]=3 74 B5R0.5 CC(=O)C(N)=O DB03578 [0,1,0,0,0,0|1,0,1]=3 75 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,1,0,0,0,0|1,0,0]=2 76 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,1,0,0,0,0|1,0,0]=2 77 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,1,0,0,0,0|1,0,1]=3 78 B5R0.5 CC(C)C(=O)O DB02531 [0,1,0,0,0,0|0,0,0]=1 79 B5R0.5 CC(O)C(=O)O DB04398 [0,1,0,0,0,0|1,0,0]=2 80 B5R0.5 CC(O)C(=O)[O-] DB06768 [0,1,0,0,0,0|1,0,0]=2 81 B5R0.5 CC(O)C(=O)[O-] DB13231 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,1,0,0,0,0|1,0,0]=2 83 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,1,0,0,0,0|1,0,0]=2 84 B5R0.5 C[C@H](N)C(=O)O DB00160 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [0,1,0,0,0,0|1,0,2]=4 86 B5R0.5 NC(=O)C(=O)O DB03940 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.5 O=C(O)C(=O)O DB03902 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.5 O=C(O)C(Cl)Cl DB08809 [0,1,0,0,0,0|2,0,0]=3 89 B5R1.3 ClCC1CO1 DB00658 [0,0,0,1,0,0|2,0,1]=4 90 B2R0.1 CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3 91 B2R0.1 CCO DB00898 [2,0,0,0,0,0|0,0,1]=3 92 B2R0.1 CON DB06328 [2,0,0,0,0,0|2,0,0]=4 93 B2R0.1 N=N/C DB04361 [2,0,0,0,0,0|2,0,0]=4 94 B2R0.1 O=C=O DB09157 [2,0,0,0,0,0|1,0,1]=4 95 B2R0.1 O=CO DB01942 [2,0,0,0,0,0|1,0,0]=3 96 B2R0.1 O=Cl[O-] DB05389 [2,0,0,0,0,0|2,0,0]=4 97 B2R0.1 O=NO DB09112 [2,0,0,0,0,0|2,0,0]=4 98 B2R0.1 O=N[O-] DB12529 [2,0,0,0,0,0|2,0,0]=4 99 B2R0.1 O=P[O-] DB04053 [2,0,0,0,0,0|2,0,0]=4 100 B2R0.1 O=[Cl]=O DB12453 [2,0,0,0,0,0|2,0,0]=4 101 B2R0.1 O=[O+][O-] DB12510 [2,0,0,0,0,0|2,0,0]=4 102 B2R0.1 O=[Si]=O DB11132 [2,0,0,0,0,0|1,1,0]=4 103 B2R0.1 O=[Si]=O DB13654 [2,0,0,0,0,0|1,1,0]=4 104 B2R0.1 O=[Si]=O DB14138 [2,0,0,0,0,0|1,1,0]=4 105 B2R0.1 O=[Ti]=O DB09536 [2,0,0,0,0,0|2,0,0]=4 106 B2R0.1 [C-]#[N+]C DB04337 [2,0,0,0,0,0|1,0,1]=4 107 B4R0.2 CCCCN DB03659 [1,1,0,0,0,0|1,0,1]=4 108 B4R0.2 CCCCO DB02145 [1,1,0,0,0,0|0,0,2]=4 109 B4R0.2 COCCO DB02806 [1,1,0,0,0,0|0,0,2]=4 110 B4R0.2 C\C=C\C=O DB04381 [1,1,0,0,0,0|0,0,1]=3 111 B4R0.2 O=CCC=O DB03057 [1,1,0,0,0,0|0,0,1]=3 112 B4R0.2 OCCCO DB02774 [1,1,0,0,0,0|0,0,2]=4 113 B4R0.2 [C-]#[N+]CCC DB04050 [1,1,0,0,0,0|1,0,1]=4 114 B4R0.3 CC(C)(C)O DB03900 [1,1,0,0,0,0|0,0,1]=3 115 B4R0.3 CS(=O)(=O)F DB13058 [1,1,0,0,0,0|2,0,0]=4 116 B4R0.3 CS(C)(=O)=O DB14090 [1,1,0,0,0,0|1,0,0]=3 117 B4R0.3 C[As](C)(=O)O DB02994 [1,1,0,0,0,0|1,0,0]=3 118 B4R0.3 C[N+](C)(C)C DB03095 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.2 CC(=O)CC(=O)O DB01762 [0,2,0,0,0,0|1,0,1]=4 120 B6R0.2 CC(C)CC(=O)O DB03750 [0,2,0,0,0,0|0,0,0]=2 121 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,2,0,0,0,0|1,0,1]=4 122 B6R0.2 CC(C)SC(=N)N DB04018 [0,2,0,0,0,0|1,0,0]=3 123 B6R0.2 CN(C)CC(=O)O DB02083 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,2,0,0,0,0|1,0,1]=4 125 B6R0.3 C=C(NC)C(=O)O DB03920 [0,2,0,0,0,0|0,0,2]=4 126 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,2,0,0,0,0|1,0,1]=4 127 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,2,0,0,0,0|1,0,1]=4 128 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,2,0,0,0,0|0,0,2]=4 129 B6R0.3 CCC(=O)C(=O)O DB04553 [0,2,0,0,0,0|1,0,1]=4 130 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,2,0,0,0,0|0,0,0]=2 131 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,2,0,0,0,0|1,0,0]=3 132 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,2,0,0,0,0|0,0,0]=2 133 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,2,0,0,0,0|1,0,1]=4 134 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,2,0,0,0,0|1,0,0]=3 136 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,2,0,0,0,0|1,0,0]=3 137 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|1,0,0]=3 139 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,2,0,0,0,0|1,0,0]=3 140 B6R0.3 O=C(O)C(=O)CO DB02951 [0,2,0,0,0,0|1,0,1]=4 141 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,2,0,0,0,0|1,0,1]=4 142 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,2,0,0,0,0|1,0,0]=3 143 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [0,2,0,0,0,0|1,0,0]=3 144 B6R0.5 CC(C)(C)OC=O DB02768 [0,2,0,0,0,0|0,0,0]=2 145 B6R0.5 C[N+](C)(C)CC=O DB04401 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,2,0,0,0,0|0,0,0]=2 147 B4R1.2 CC1CO1 DB11451 [1,0,0,1,0,0|0,0,2]=4