0 B3R0.2 BrC(Br)Br DB03054 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.2 C(I)(I)I DB13813 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 CC(=O)O DB03166 [0,0,0,0,0,0|1,1,1]=3 3 B3R0.2 CC(=O)[O-] DB00258 [0,0,0,0,0,0|1,1,1]=3 4 B3R0.2 CC(=O)[O-] DB09395 [0,0,0,0,0,0|1,1,1]=3 5 B3R0.2 CC(=O)[O-] DB09409 [0,0,0,0,0,0|1,1,1]=3 6 B3R0.2 CC(=O)[O-] DB13996 [0,0,0,0,0,0|1,1,1]=3 7 B3R0.2 CC(C)O DB02325 [0,0,0,0,0,0|0,1,0]=1 8 B3R0.2 CC(N)=O DB02736 [0,0,0,0,0,0|1,1,1]=3 9 B3R0.2 CS(C)=O DB01093 [0,0,0,0,0,0|1,1,0]=2 10 B3R0.2 C[P@@H](=O)[O-] DB02825 [0,0,0,0,0,0|2,1,0]=3 11 B3R0.2 C[P@H](=O)O DB02845 [0,0,0,0,0,0|2,1,0]=3 12 B3R0.2 Cl[111In](Cl)Cl DB09490 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 Cl[AlH3](Cl)Cl DB11081 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 N=C(N)N DB00536 [0,0,0,0,0,0|3,0,1]=4 15 B3R0.2 N=C(N)O DB11129 [0,0,0,0,0,0|2,1,1]=4 16 B3R0.2 N=[13C](N)O DB09510 [0,0,0,0,0,0|2,1,1]=4 17 B3R0.2 NC(=O)O DB04261 [0,0,0,0,0,0|2,1,1]=4 18 B3R0.2 NC(N)=O DB03904 [0,0,0,0,0,0|2,1,1]=4 19 B3R0.2 N[14C](N)=O DB09513 [0,0,0,0,0,0|2,1,1]=4 20 B3R0.2 O=C([O-])O DB01390 [0,0,0,0,0,0|2,1,1]=4 21 B3R0.2 O=C([O-])O DB11098 [0,0,0,0,0,0|2,1,1]=4 22 B3R0.2 O=C([O-])[O-] DB06724 [0,0,0,0,0,0|2,1,1]=4 23 B3R0.2 O=C([O-])[O-] DB06792 [0,0,0,0,0,0|2,1,1]=4 24 B3R0.2 O=C([O-])[O-] DB09460 [0,0,0,0,0,0|2,1,1]=4 25 B3R0.2 O=C([O-])[O-] DB09481 [0,0,0,0,0,0|2,1,1]=4 26 B3R0.2 O=C([O-])[O-] DB13322 [0,0,0,0,0,0|2,1,1]=4 27 B3R0.2 O=C([O-])[O-] DB13977 [0,0,0,0,0,0|2,1,1]=4 28 B3R0.2 O=S([O-])O DB14015 [0,0,0,0,0,0|3,1,0]=4 29 B3R0.2 O=[Mo+6](O)O DB04494 [0,0,0,0,0,0|3,1,0]=4 30 B3R0.2 O=[Mo](=O)S DB03328 [0,0,0,0,0,0|3,0,0]=3 31 B3R0.2 O=[N+]([O-])[O-] DB05260 [0,0,0,0,0,0|3,1,0]=4 32 B3R0.2 O=[N+]([O-])[O-] DB11090 [0,0,0,0,0,0|3,1,0]=4 33 B3R0.2 O=[N+]([O-])[O-] DB13209 [0,0,0,0,0,0|3,1,0]=4 34 B3R0.2 O=[Se](O)O DB11127 [0,0,0,0,0,0|3,1,0]=4 35 B3R0.2 O=[Si]([O-])[O-] DB14116 [0,0,0,0,0,0|2,2,0]=4 36 B3R0.2 OB(O)O DB11326 [0,0,0,0,0,0|3,1,0]=4 37 B3R0.2 OCl(=O)=O DB14150 [0,0,0,0,0,0|3,1,0]=4 38 B3R0.2 O[As](O)O DB04456 [0,0,0,0,0,0|3,1,0]=4 39 B3R0.2 O[Sb](O)O DB02453 [0,0,0,0,0,0|3,1,0]=4 40 B3R0.2 O[Zn-](O)O DB02165 [0,0,0,0,0,0|3,1,0]=4 41 B2R0.1 CCCl DB13259 [1,0,0,0,0,0|1,0,0]=2 42 B2R0.1 CCO DB00898 [1,0,0,0,0,0|0,1,0]=2 43 B2R0.1 CON DB06328 [1,0,0,0,0,0|2,0,0]=3 44 B2R0.1 Cl[223Ra]Cl DB08913 [1,0,0,0,0,0|3,0,0]=4 45 B2R0.1 Cl[Cu]Cl DB09131 [1,0,0,0,0,0|3,0,0]=4 46 B2R0.1 Cl[Hg]Cl DB13765 [1,0,0,0,0,0|3,0,0]=4 47 B2R0.1 F[Sn]F DB11092 [1,0,0,0,0,0|3,0,0]=4 48 B2R0.1 I[Hg]I DB04445 [1,0,0,0,0,0|3,0,0]=4 49 B2R0.1 N#CN DB02679 [1,0,0,0,0,0|2,0,1]=4 50 B2R0.1 N#[N+][O-] DB06690 [1,0,0,0,0,0|2,1,0]=4 51 B2R0.1 N=N/C DB04361 [1,0,0,0,0,0|2,0,0]=3 52 B2R0.1 O=C=O DB09157 [1,0,0,0,0,0|1,1,1]=4 53 B2R0.1 O=CO DB01942 [1,0,0,0,0,0|1,1,1]=4 54 B2R0.1 O=Cl[O-] DB05389 [1,0,0,0,0,0|2,1,0]=4 55 B2R0.1 O=NO DB09112 [1,0,0,0,0,0|2,1,0]=4 56 B2R0.1 O=N[O-] DB12529 [1,0,0,0,0,0|2,1,0]=4 57 B2R0.1 O=P[O-] DB04053 [1,0,0,0,0,0|2,1,0]=4 58 B2R0.1 O=[Cl]=O DB12453 [1,0,0,0,0,0|2,1,0]=4 59 B2R0.1 O=[O+][O-] DB12510 [1,0,0,0,0,0|2,1,0]=4 60 B2R0.1 O=[Si]=O DB11132 [1,0,0,0,0,0|1,2,0]=4 61 B2R0.1 O=[Si]=O DB13654 [1,0,0,0,0,0|1,2,0]=4 62 B2R0.1 O=[Si]=O DB14138 [1,0,0,0,0,0|1,2,0]=4 63 B2R0.1 O=[Ti]=O DB09536 [1,0,0,0,0,0|2,1,0]=4 64 B2R0.1 S=[Mo]=S DB05088 [1,0,0,0,0,0|2,0,1]=4 65 B2R0.1 S=[Se]=S DB00971 [1,0,0,0,0,0|2,0,1]=4 66 B2R0.1 [C-]#[N+]C DB04337 [1,0,0,0,0,0|1,0,1]=3 67 B2R0.1 [N-]=C=[N-] DB09116 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 C=C(Br)CO DB04320 [0,1,0,0,0,0|1,0,2]=4 69 B4R0.1 CC(=O)C=O DB03587 [0,1,0,0,0,0|0,1,2]=4 70 B4R0.1 CC(=O)NO DB00551 [0,1,0,0,0,0|1,1,1]=4 71 B4R0.1 CC(=O)O[Hg+] DB02176 [0,1,0,0,0,0|1,1,1]=4 72 B4R0.1 CC(O)CO DB01839 [0,1,0,0,0,0|0,1,0]=2 73 B4R0.1 CCC(=O)O DB03766 [0,1,0,0,0,0|1,1,1]=4 74 B4R0.1 CCC(N)=O DB04161 [0,1,0,0,0,0|1,1,1]=4 75 B4R0.1 CC[C@@H](C)O DB02606 [0,1,0,0,0,0|0,1,0]=2 76 B4R0.1 CN(C)C=O DB01844 [0,1,0,0,0,0|1,1,0]=3 77 B4R0.1 C[C@@H](Cl)CCl DB01701 [0,1,0,0,0,0|1,0,0]=2 78 B4R0.1 C[C@@H](O)CO DB02159 [0,1,0,0,0,0|0,1,0]=2 79 B4R0.1 C[C@H](O)C=O DB03776 [0,1,0,0,0,0|0,1,1]=3 80 B4R0.1 C[C@H](O)CBr DB03335 [0,1,0,0,0,0|0,1,0]=2 81 B4R0.1 C[C@H](O)CO DB04349 [0,1,0,0,0,0|0,1,0]=2 82 B4R0.1 C[C@H](O)C[NH3+] DB02576 [0,1,0,0,0,0|0,1,0]=2 83 B4R0.1 NCC(=O)O DB00145 [0,1,0,0,0,0|1,1,1]=4 84 B4R0.1 NCC(=O)[O-] DB11189 [0,1,0,0,0,0|1,1,1]=4 85 B4R0.1 NCC(=O)[O-] DB11200 [0,1,0,0,0,0|1,1,1]=4 86 B4R0.1 NCC(=O)[O-] DB11210 [0,1,0,0,0,0|1,1,1]=4 87 B4R0.1 NCC(N)=O DB03636 [0,1,0,0,0,0|1,1,1]=4 88 B4R0.1 O=C(O)CBr DB02198 [0,1,0,0,0,0|1,1,1]=4 89 B4R0.1 O=C(O)CO DB03085 [0,1,0,0,0,0|1,1,1]=4 90 B4R0.3 CC(C)(C)O DB03900 [0,1,0,0,0,0|0,1,0]=2 91 B4R0.3 CS(=O)(=O)F DB13058 [0,1,0,0,0,0|2,1,0]=4 92 B4R0.3 CS(C)(=O)=O DB14090 [0,1,0,0,0,0|1,1,0]=3 93 B4R0.3 C[As](C)(=O)O DB02994 [0,1,0,0,0,0|1,1,0]=3 94 B4R0.3 C[N+](C)(C)C DB03095 [0,1,0,0,0,0|2,0,0]=3 95 B4R1.2 CC1CO1 DB11451 [0,0,0,1,0,0|0,1,0]=2 96 B1R0.1 C=O DB03843 [2,0,0,0,0,0|0,1,1]=4 97 B1R0.1 CN DB01828 [2,0,0,0,0,0|1,0,0]=3 98 B1R0.1 ClCl DB11109 [2,0,0,0,0,0|2,0,0]=4 99 B1R0.1 Cl[Tl] DB09316 [2,0,0,0,0,0|2,0,0]=4 100 B1R0.1 II DB05382 [2,0,0,0,0,0|2,0,0]=4 101 B1R0.1 N#N DB09152 [2,0,0,0,0,0|2,0,0]=4 102 B1R0.1 O=O DB09140 [2,0,0,0,0,0|1,1,0]=4 103 B1R0.1 O=[Mg] DB01377 [2,0,0,0,0,0|1,1,0]=4 104 B1R0.1 O=[Zn] DB09321 [2,0,0,0,0,0|1,1,0]=4 105 B1R0.1 OCl DB14135 [2,0,0,0,0,0|1,1,0]=4 106 B1R0.1 OO DB11091 [2,0,0,0,0,0|1,1,0]=4 107 B1R0.1 O[SiH3] DB11343 [2,0,0,0,0,0|0,2,0]=4 108 B1R0.1 [C-]#[O+] DB11588 [2,0,0,0,0,0|0,1,1]=4 109 B1R0.1 [N]=O DB00435 [2,0,0,0,0,0|1,1,0]=4 110 B1R0.1 [O-]Cl DB11123 [2,0,0,0,0,0|1,1,0]=4 111 B3R0.1 C#[N+]CC DB03399 [1,1,0,0,0,0|0,0,1]=3 112 B3R0.1 C(N)=CS DB01968 [1,1,0,0,0,0|0,0,2]=4 113 B3R0.1 CCCO DB03175 [1,1,0,0,0,0|0,0,0]=2 114 B3R0.1 CCN=O DB02646 [1,1,0,0,0,0|0,1,0]=3 115 B3R0.1 CCNC DB02396 [1,1,0,0,0,0|0,0,0]=2 116 B3R0.1 CN=C=O DB12765 [1,1,0,0,0,0|0,1,1]=4 117 B3R0.1 ClCCCl DB03733 [1,1,0,0,0,0|1,0,0]=3 118 B3R0.1 N=CCN DB02108 [1,1,0,0,0,0|1,0,1]=4 119 B3R0.1 NCCN DB14189 [1,1,0,0,0,0|1,0,0]=3 120 B3R0.1 NCCO DB03994 [1,1,0,0,0,0|0,1,0]=3 121 B3R0.1 NCCS DB00847 [1,1,0,0,0,0|0,0,0]=2 122 B3R0.1 OCCS DB03345 [1,1,0,0,0,0|0,0,0]=2 123 B5R0.1 CC(=O)CCO DB04094 [0,2,0,0,0,0|0,1,1]=4 124 B5R0.1 CC(C)CCO DB02296 [0,2,0,0,0,0|0,1,0]=3 125 B5R0.1 CC(O)CCO DB14110 [0,2,0,0,0,0|0,1,0]=3 126 B5R0.1 CN(C)CCO DB13352 [0,2,0,0,0,0|1,1,0]=4 127 B5R0.1 CSC[S@](C)=O DB02311 [0,2,0,0,0,0|1,1,0]=4 128 B5R0.1 C[C@H](O)CCO DB02202 [0,2,0,0,0,0|0,1,0]=3 129 B5R0.3 O=C(CO)CO DB01775 [0,2,0,0,0,0|0,1,1]=4 130 B5R0.3 O=C[C@H](O)CO DB02536 [0,2,0,0,0,0|0,1,1]=4 131 B5R0.3 OCC(O)CO DB09462 [0,2,0,0,0,0|0,1,0]=3 132 B5R0.3 OCC(S)CS DB06782 [0,2,0,0,0,0|0,0,0]=2 133 B5R0.3 OC[C@@H](O)CS DB03864 [0,2,0,0,0,0|0,1,0]=3 134 B5R0.4 CC(C)(O)C#N DB02203 [0,2,0,0,0,0|0,1,0]=3 135 B5R0.4 CC[Si](C)(C)C DB02265 [0,2,0,0,0,0|1,1,0]=4 136 B5R0.4 FCC(F)(F)F DB13116 [0,2,0,0,0,0|2,0,0]=4 137 B5R0.4 OCC(F)(F)F DB03226 [0,2,0,0,0,0|2,0,0]=4 138 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,2,0,0,0,0|0,1,0]=3 139 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,2,0,0,0,0|0,1,0]=3 140 B5R0.5 CC(C)C(=O)O DB02531 [0,2,0,0,0,0|0,1,0]=3 141 B5R0.5 CC(O)C(=O)O DB04398 [0,2,0,0,0,0|0,1,1]=4 142 B5R0.5 CC(O)C(=O)[O-] DB06768 [0,2,0,0,0,0|0,1,1]=4 143 B5R0.5 CC(O)C(=O)[O-] DB13231 [0,2,0,0,0,0|0,1,1]=4 144 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,2,0,0,0,0|1,0,1]=4 145 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,2,0,0,0,0|0,1,1]=4 146 B5R0.5 C[C@H](N)C(=O)O DB00160 [0,2,0,0,0,0|1,0,1]=4 147 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [0,2,0,0,0,0|0,1,0]=3 148 B3R1.1 C1CC1 DB13984 [1,0,0,1,0,0|0,0,0]=2 149 B5R1.2 O=C1CCO1 DB09348 [0,1,0,1,0,0|0,1,1]=4 150 B5R1.3 ClCC1CO1 DB00658 [0,1,0,1,0,0|0,1,0]=3