0 B4R0.1 C=C(Br)CO DB04320 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 C=CC(=O)O DB02579 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 CC(=O)C=O DB03587 [0,0,0,0,0,0|0,0,4]=4 3 B4R0.1 CC(=O)NO DB00551 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.1 CC(=O)O[Hg+] DB02176 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 CC(O)CO DB01839 [0,0,0,0,0,0|0,0,0]=0 6 B4R0.1 CCC(=O)O DB03766 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CCC(N)=O DB04161 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CC[C@@H](C)O DB02606 [0,0,0,0,0,0|1,0,0]=1 9 B4R0.1 CN(C)C=O DB01844 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 C[C@@H](Cl)CCl DB01701 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 C[C@@H](O)CO DB02159 [0,0,0,0,0,0|0,0,0]=0 12 B4R0.1 C[C@H](O)C=O DB03776 [0,0,0,0,0,0|0,0,2]=2 13 B4R0.1 C[C@H](O)CBr DB03335 [0,0,0,0,0,0|1,0,0]=1 14 B4R0.1 C[C@H](O)CO DB04349 [0,0,0,0,0,0|0,0,0]=0 15 B4R0.1 C[C@H](O)C[NH3+] DB02576 [0,0,0,0,0,0|1,0,0]=1 16 B4R0.1 N=C(N)NO DB03770 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 NC(=O)NO DB01005 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 NCC(=O)O DB00145 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 NCC(=O)[O-] DB11189 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 NCC(=O)[O-] DB11200 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 NCC(=O)[O-] DB11210 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.1 NCC(N)=O DB03636 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.1 O=C(O)CBr DB02198 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 O=C(O)CO DB03085 [0,0,0,0,0,0|1,0,1]=2 25 B4R0.1 O=CC(=O)O DB04343 [0,0,0,0,0,0|1,0,3]=4 26 B3R0.1 C#[N+]CC DB03399 [1,0,0,0,0,0|2,0,0]=3 27 B3R0.1 CCCO DB03175 [1,0,0,0,0,0|0,0,0]=1 28 B3R0.1 CCN=O DB02646 [1,0,0,0,0,0|1,0,1]=3 29 B3R0.1 CCNC DB02396 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 CN=C=O DB12765 [1,0,0,0,0,0|1,0,2]=4 31 B3R0.1 ClCCCl DB03733 [1,0,0,0,0,0|2,0,0]=3 32 B3R0.1 N=CCN DB02108 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.1 NCCN DB14189 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.1 NCCO DB03994 [1,0,0,0,0,0|1,0,0]=2 35 B3R0.1 NCCS DB00847 [1,0,0,0,0,0|1,1,0]=3 36 B3R0.1 O=BOO DB13235 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.1 OCCS DB03345 [1,0,0,0,0,0|0,1,0]=2 38 B3R0.2 BrC(Br)Br DB03054 [1,0,0,0,0,0|3,0,0]=4 39 B3R0.2 C(I)(I)I DB13813 [1,0,0,0,0,0|3,0,0]=4 40 B3R0.2 CC(=O)O DB03166 [1,0,0,0,0,0|0,0,2]=3 41 B3R0.2 CC(=O)[O-] DB00258 [1,0,0,0,0,0|0,0,3]=4 42 B3R0.2 CC(=O)[O-] DB09395 [1,0,0,0,0,0|0,0,3]=4 43 B3R0.2 CC(=O)[O-] DB09409 [1,0,0,0,0,0|0,0,3]=4 44 B3R0.2 CC(=O)[O-] DB13996 [1,0,0,0,0,0|0,0,3]=4 45 B3R0.2 CC(C)O DB02325 [1,0,0,0,0,0|0,0,0]=1 46 B3R0.2 CC(N)=O DB02736 [1,0,0,0,0,0|1,0,2]=4 47 B3R0.2 CS(C)=O DB01093 [1,0,0,0,0,0|1,0,1]=3 48 B3R0.2 C[P@@H](=O)[O-] DB02825 [1,0,0,0,0,0|1,0,2]=4 49 B3R0.2 C[P@H](=O)O DB02845 [1,0,0,0,0,0|1,0,1]=3 50 B3R0.2 N=C(N)O DB11129 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.2 N=[13C](N)O DB09510 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.2 NC(=O)O DB04261 [1,0,0,0,0,0|1,0,2]=4 53 B3R0.2 O=C([O-])O DB01390 [1,0,0,0,0,0|1,0,2]=4 54 B3R0.2 O=C([O-])O DB11098 [1,0,0,0,0,0|1,0,2]=4 55 B3R0.2 O=S([O-])O DB14015 [1,0,0,0,0,0|2,0,1]=4 56 B3R0.2 O=[Mo+6](O)O DB04494 [1,0,0,0,0,0|2,0,0]=3 57 B3R0.2 O=[Se](O)O DB11127 [1,0,0,0,0,0|2,0,0]=3 58 B3R0.2 OB(O)O DB11326 [1,0,0,0,0,0|2,0,0]=3 59 B3R0.2 OCl(=O)=O DB14150 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.2 O[As](O)O DB04456 [1,0,0,0,0,0|2,0,0]=3 61 B3R0.2 O[Sb](O)O DB02453 [1,0,0,0,0,0|2,0,0]=3 62 B3R0.2 O[Zn-](O)O DB02165 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 C=C(Br)CCO DB04592 [0,1,0,0,0,0|1,0,2]=4 64 B5R0.1 CC(=O)CCO DB04094 [0,1,0,0,0,0|0,0,2]=3 65 B5R0.1 CC(C)CCO DB02296 [0,1,0,0,0,0|1,0,0]=2 66 B5R0.1 CC(O)CCO DB14110 [0,1,0,0,0,0|0,0,0]=1 67 B5R0.1 CCCC(=O)O DB03568 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 CN(C)CCO DB13352 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 CNCC(=O)O DB12519 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 CSC[S@](C)=O DB02311 [0,1,0,0,0,0|1,1,1]=4 71 B5R0.1 C[C@H](O)CCO DB02202 [0,1,0,0,0,0|0,0,0]=1 72 B5R0.1 NCCC(=O)O DB03107 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.1 NOCC(=O)O DB02079 [0,1,0,0,0,0|1,0,1]=3 74 B5R0.1 O=C(O)CCO DB03688 [0,1,0,0,0,0|1,0,1]=3 75 B5R0.3 O=C(CO)CO DB01775 [0,1,0,0,0,0|0,0,2]=3 76 B5R0.3 O=C[C@H](O)CO DB02536 [0,1,0,0,0,0|0,0,1]=2 77 B5R0.3 OCC(O)CO DB09462 [0,1,0,0,0,0|0,0,0]=1 78 B5R0.3 OCC(S)CS DB06782 [0,1,0,0,0,0|0,1,0]=2 79 B5R0.3 OC[C@@H](O)CS DB03864 [0,1,0,0,0,0|0,0,0]=1 80 B5R0.4 CC(C)(O)C#N DB02203 [0,1,0,0,0,0|1,0,1]=3 81 B5R0.4 CCS(=O)(=O)O DB03635 [0,1,0,0,0,0|3,0,0]=4 82 B5R0.4 CC[Si](C)(C)C DB02265 [0,1,0,0,0,0|2,1,0]=4 83 B5R0.4 FCC(F)(F)F DB13116 [0,1,0,0,0,0|3,0,0]=4 84 B5R0.4 OCC(F)(F)F DB03226 [0,1,0,0,0,0|2,0,0]=3 85 B5R0.5 CC(=O)C(=O)O DB00119 [0,1,0,0,0,0|0,0,3]=4 86 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,1,0,0,0,0|0,0,2]=3 87 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,1,0,0,0,0|0,0,2]=3 88 B5R0.5 CC(C)C(=O)O DB02531 [0,1,0,0,0,0|1,0,1]=3 89 B5R0.5 CC(O)C(=O)O DB04398 [0,1,0,0,0,0|0,0,1]=2 90 B5R0.5 CC(O)C(=O)[O-] DB06768 [0,1,0,0,0,0|0,0,2]=3 91 B5R0.5 CC(O)C(=O)[O-] DB13231 [0,1,0,0,0,0|0,0,2]=3 92 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,1,0,0,0,0|0,0,1]=2 94 B5R0.5 C[C@H](N)C(=O)O DB00160 [0,1,0,0,0,0|1,0,1]=3 95 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [0,1,0,0,0,0|0,0,0]=1 96 B5R0.5 O=C(O)C(=O)O DB03902 [0,1,0,0,0,0|1,0,2]=4 97 B5R0.5 O=C(O)C(Cl)Cl DB08809 [0,1,0,0,0,0|2,0,1]=4 98 B5R1.2 O=C1CCO1 DB09348 [0,0,0,1,0,0|2,0,1]=4 99 B5R1.3 ClCC1CO1 DB00658 [0,0,0,1,0,0|1,0,0]=2 100 B2R0.1 CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3 101 B2R0.1 CCO DB00898 [2,0,0,0,0,0|0,0,0]=2 102 B2R0.1 CON DB06328 [2,0,0,0,0,0|2,0,0]=4 103 B2R0.1 N=N/C DB04361 [2,0,0,0,0,0|2,0,0]=4 104 B2R0.1 O=CO DB01942 [2,0,0,0,0,0|0,0,2]=4 105 B2R0.1 O=NO DB09112 [2,0,0,0,0,0|1,0,1]=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|1,0,0]=3 108 B4R0.2 CCCCO DB02145 [1,1,0,0,0,0|0,0,0]=2 109 B4R0.2 COCCO DB02806 [1,1,0,0,0,0|0,0,0]=2 110 B4R0.2 OCCCO DB02774 [1,1,0,0,0,0|0,0,0]=2 111 B4R0.2 [C-]#[N+]CCC DB04050 [1,1,0,0,0,0|1,0,0]=3 112 B4R0.3 CC(C)(C)O DB03900 [1,1,0,0,0,0|0,0,0]=2 113 B4R0.3 CS(C)(=O)=O DB14090 [1,1,0,0,0,0|1,0,1]=4 114 B4R0.3 C[As](C)(=O)O DB02994 [1,1,0,0,0,0|1,0,0]=3 115 B4R0.3 C[N+](C)(C)C DB03095 [1,1,0,0,0,0|2,0,0]=4 116 B4R0.3 O=P(O)(O)O DB09394 [1,1,0,0,0,0|2,0,0]=4 117 B4R0.3 O=P([O-])(O)O DB09413 [1,1,0,0,0,0|2,0,0]=4 118 B4R0.3 O=P([O-])(O)O DB09449 [1,1,0,0,0,0|2,0,0]=4 119 B4R0.3 O=S(O)(O)=S DB09499 [1,1,0,0,0,0|2,0,0]=4 120 B4R0.3 O=[Se](=O)(O)O DB11068 [1,1,0,0,0,0|2,0,0]=4 121 B4R0.3 OP(=O)([O-])O DB02831 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.1 CNC(=S)NCO DB13838 [0,2,0,0,0,0|0,1,1]=4 123 B6R0.1 OC[C@@H](O)CSO DB01684 [0,2,0,0,0,0|0,0,0]=2 124 B6R0.2 CC(=O)CC(=O)O DB01762 [0,2,0,0,0,0|0,0,2]=4 125 B6R0.2 CC(C)CC(=O)O DB03750 [0,2,0,0,0,0|1,0,0]=3 126 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,2,0,0,0,0|2,0,0]=4 127 B6R0.2 CN(C)CC(=O)O DB02083 [0,2,0,0,0,0|2,0,0]=4 128 B6R0.2 O=C(O)CC(=O)O DB02175 [0,2,0,0,0,0|1,0,1]=4 129 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,2,0,0,0,0|1,0,0]=3 131 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,2,0,0,0,0|1,0,1]=4 132 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,2,0,0,0,0|1,0,1]=4 133 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,2,0,0,0,0|1,0,0]=3 134 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,2,0,0,0,0|1,0,1]=4 135 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,2,0,0,0,0|1,0,1]=4 136 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,2,0,0,0,0|1,0,1]=4 137 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,2,0,0,0,0|1,0,1]=4 139 B6R0.3 O=C(O)C(=O)CO DB02951 [0,2,0,0,0,0|1,0,1]=4 140 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,2,0,0,0,0|0,0,0]=2 141 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|1,0,1]=4 143 B6R0.5 C[N+](C)(C)CCO DB00122 [0,2,0,0,0,0|2,0,0]=4 144 B6R0.5 C[N+](C)([11CH3])CCO DB09277 [0,2,0,0,0,0|2,0,0]=4 145 B6R0.5 C[N+](C)([11CH3])CCO DB09563 [0,2,0,0,0,0|2,0,0]=4 146 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,2,0,0,0,0|1,0,1]=4 147 B6R0.7 OC(O)C(Cl)(Cl)Cl DB01563 [0,2,0,0,0,0|2,0,0]=4 148 B4R1.2 CC1CO1 DB11451 [1,0,0,1,0,0|0,0,0]=2