0 B3R0.2 Br[Ir](Br)Br 5635AF [0,0,0,0,0,0|4,0,0]=4 1 B3R0.2 C=[N+](C)C X4459 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 CC(=N)N 6978AL [0,0,0,0,0,0|1,0,1]=2 3 B3R0.2 CC(=O)[O-] Y2043 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC(=O)[O-] Y2049 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CC(Br)Br 4360AL [0,0,0,0,0,0|3,0,1]=4 6 B3R0.2 C[PH](C)=O 3279AL [0,0,0,0,0,0|3,0,0]=3 7 B3R0.2 C[S+](C)C 9165AJ [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 ClC(Cl)Br 8444AJ [0,0,0,0,0,0|3,0,1]=4 9 B3R0.2 Cl[AlH3](Cl)Cl 5469AF [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 Cl[Au](Cl)Cl 6533AH [0,0,0,0,0,0|4,0,0]=4 11 B3R0.2 Cl[Lu](Cl)Cl 8355AF [0,0,0,0,0,0|4,0,0]=4 12 B3R0.2 Cl[Os](Cl)Cl 8362AF [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 Cl[Rh](Cl)Cl 0627AB [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 Cl[Tb](Cl)Cl 8371AF [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 F[Sb](F)F 8606AF [0,0,0,0,0,0|4,0,0]=4 16 B3R0.2 I[Rh](I)I 7785AA [0,0,0,0,0,0|4,0,0]=4 17 B3R0.2 NC(N)=O G570 [0,0,0,0,0,0|0,0,0]=0 18 B3R0.2 O=C([O-])O 6221AA [0,0,0,0,0,0|2,0,0]=2 19 B3R0.2 O=I(=O)[O-] Y1930 [0,0,0,0,0,0|3,0,0]=3 20 B3R0.2 O=S(O)O 8693AF [0,0,0,0,0,0|3,0,0]=3 21 B3R0.2 O=S([O-])[O-] 9209AB [0,0,0,0,0,0|3,0,0]=3 22 B3R0.2 O=[N+]([O-])O J70010 [0,0,0,0,0,0|3,0,0]=3 23 B3R0.2 O=[N+]([O-])[O-] 5369AF [0,0,0,0,0,0|3,0,0]=3 24 B3R0.2 O=[N+]([O-])[O-] 8572AF [0,0,0,0,0,0|3,0,0]=3 25 B3R0.2 O=[N+]([O-])[O-] 8722AF [0,0,0,0,0,0|3,0,0]=3 26 B3R0.2 O=[N+]([O-])[O-] J70116 [0,0,0,0,0,0|3,0,0]=3 27 B3R0.2 O=[Te]([O-])[O-] 5213AF [0,0,0,0,0,0|3,0,0]=3 28 B3R0.2 [O-]P([O-])O 5246AF [0,0,0,0,0,0|3,0,1]=4 29 B2R0.1 Br[Hg]Br 5609AF [1,0,0,0,0,0|3,0,0]=4 30 B2R0.1 Br[Pt]Br 5617AF [1,0,0,0,0,0|3,0,0]=4 31 B2R0.1 CNC 7704AL [1,0,0,0,0,0|3,0,0]=4 32 B2R0.1 Cl[Cu]Cl 8310AF [1,0,0,0,0,0|3,0,0]=4 33 B2R0.1 Cl[Pd]Cl K313 [1,0,0,0,0,0|3,0,0]=4 34 B2R0.1 Cl[Pt]Cl 6761AA [1,0,0,0,0,0|3,0,0]=4 35 B2R0.1 F[Zn]F 8586AF [1,0,0,0,0,0|3,0,0]=4 36 B2R0.1 I[Ba]I 5557AF [1,0,0,0,0,0|3,0,0]=4 37 B2R0.1 I[Hg]I X5988 [1,0,0,0,0,0|3,0,0]=4 38 B2R0.1 N=CN 7945AL [1,0,0,0,0,0|0,0,1]=2 39 B2R0.1 O=C[O-] 7946AL [1,0,0,0,0,0|1,0,0]=2 40 B2R0.1 O=C[O-] 8928AL [1,0,0,0,0,0|1,0,0]=2 41 B2R0.1 O=[AlH3][O-] 5047AF [1,0,0,0,0,0|2,0,0]=3 42 B2R0.1 O=[Ir]=O 8780AF [1,0,0,0,0,0|2,0,0]=3 43 B2R0.1 O[Pt]O 4927AB [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 C#CC(C)N 3873AJ [0,1,0,0,0,0|2,0,1]=4 45 B4R0.1 C#C[C@H](C)N 9107AH [0,1,0,0,0,0|2,0,1]=4 46 B4R0.1 C=C(F)CCl 6785AE [0,1,0,0,0,0|3,0,0]=4 47 B4R0.1 C=C=C(C)C 6086AL [0,1,0,0,0,0|3,0,0]=4 48 B4R0.1 CC(=N)NN 5131AB [0,1,0,0,0,0|1,0,1]=3 49 B4R0.1 CC(=O)NBr 6847AF [0,1,0,0,0,0|1,0,0]=2 50 B4R0.1 CCC(=O)Br C859 [0,1,0,0,0,0|2,0,0]=3 51 B4R0.1 CSC(C)=O 9061AJ [0,1,0,0,0,0|2,0,0]=3 52 B4R0.1 C[C@@H](O)CN V4887 [0,1,0,0,0,0|1,0,2]=4 53 B4R0.1 C\C(N)=N/O 5291AE [0,1,0,0,0,0|1,0,1]=3 54 B4R0.1 C\C=C(/C)Cl 5560AL [0,1,0,0,0,0|3,0,0]=4 55 B4R0.1 C\C=C(\C)Cl 4247AL [0,1,0,0,0,0|3,0,0]=4 56 B4R0.1 N=C(N)CO 6468AB [0,1,0,0,0,0|0,0,2]=3 57 B4R0.1 N=C(N)CO X6638 [0,1,0,0,0,0|0,0,2]=3 58 B4R0.1 NCC(=O)O 7986AL [0,1,0,0,0,0|1,0,0]=2 59 B4R0.1 NCC(=O)[O-] P522 [0,1,0,0,0,0|1,0,0]=2 60 B4R0.1 NCC(=O)[O-] Z1943 [0,1,0,0,0,0|1,0,0]=2 61 B4R0.3 CC(C)(C)N 9036AL [0,1,0,0,0,0|2,0,1]=4 62 B4R0.3 O=Cl(=O)(=O)[O-] 5524AF [0,1,0,0,0,0|3,0,0]=4 63 B4R0.3 O=Cl(=O)(=O)[O-] 7311AH [0,1,0,0,0,0|3,0,0]=4 64 B4R0.3 O=Cl(=O)(=O)[O-] 8423AF [0,1,0,0,0,0|3,0,0]=4 65 B4R0.3 O=P([O-])(O)O 5366AA [0,1,0,0,0,0|3,0,0]=4 66 B4R0.3 O=P([O-])([O-])[O-] 0455AC [0,1,0,0,0,0|3,0,0]=4 67 B4R0.3 O=P([O-])([O-])[O-] 8641AF [0,1,0,0,0,0|3,0,0]=4 68 B4R0.3 O=S(=O)(O)O K629 [0,1,0,0,0,0|3,0,0]=4 69 B4R0.3 O=S(=O)([O-])[O-] 5193AF [0,1,0,0,0,0|3,0,0]=4 70 B4R0.3 O=S(=O)([O-])[O-] 8944AF [0,1,0,0,0,0|3,0,0]=4 71 B4R0.3 O=[Cr](=O)([O-])[O-] 8532AF [0,1,0,0,0,0|3,0,0]=4 72 B4R0.3 O=[Cr](=O)([O-])[O-] S426 [0,1,0,0,0,0|3,0,0]=4 73 B4R0.3 O=[Mo](=O)(Cl)Cl 8322AF [0,1,0,0,0,0|3,0,0]=4 74 B4R0.3 O=[Se](=O)([O-])[O-] D079 [0,1,0,0,0,0|3,0,0]=4 75 B4R1.2 C[C@H]1CN1 1289AL [0,0,0,1,0,0|2,0,1]=4 76 B1R0.1 Cl[Re] 7674AH [2,0,0,0,0,0|2,0,0]=4 77 B1R0.1 O=[Ag] 7691AH [2,0,0,0,0,0|1,0,0]=3 78 B1R0.1 [C-]#[O+] O525 [2,0,0,0,0,0|0,0,2]=4 79 B1R0.1 [C-]#[O+] Y1394 [2,0,0,0,0,0|0,0,2]=4 80 B1R0.1 [Se]=[Cd] 8261AF [2,0,0,0,0,0|1,1,0]=4 81 B3R0.1 Br\C=C\Br 6810AF [1,1,0,0,0,0|2,0,0]=4 82 B3R0.1 CCCN 8883AL [1,1,0,0,0,0|1,0,1]=4 83 B3R0.1 C\C=C\Br 4765AL [1,1,0,0,0,0|2,0,0]=4 84 B3R0.1 NCCN 4103AL [1,1,0,0,0,0|0,0,1]=3 85 B3R0.1 NCCN 6791AA [1,1,0,0,0,0|0,0,1]=3 86 B3R0.1 NCCN 6876AF [1,1,0,0,0,0|0,0,1]=3 87 B3R0.1 NCCN 7518AA [1,1,0,0,0,0|0,0,1]=3 88 B3R0.1 NCCN 9393AJ [1,1,0,0,0,0|0,0,1]=3 89 B3R0.1 NCCN E395 [1,1,0,0,0,0|0,0,1]=3 90 B5R0.1 C=C(C)CON 4430AJ [0,2,0,0,0,0|2,0,0]=4 91 B5R0.1 C=CCC(N)=O Y1568 [0,2,0,0,0,0|1,0,0]=3 92 B5R0.1 CNCC(C)=O 4565AF [0,2,0,0,0,0|1,0,0]=3 93 B5R0.1 CNOC(C)=O 8699AL [0,2,0,0,0,0|1,0,0]=3 94 B5R0.1 COCC(=N)N 1769AJ [0,2,0,0,0,0|0,0,2]=4 95 B5R0.1 CS(=O)CCN 4290AE [0,2,0,0,0,0|2,0,0]=4 96 B5R0.1 CSCC(=N)N 1816AJ [0,2,0,0,0,0|0,1,1]=4 97 B5R0.1 C\C(Cl)=C\CN 9653AD [0,2,0,0,0,0|2,0,0]=4 98 B5R0.1 NOCC(=O)O 2959AB [0,2,0,0,0,0|1,0,0]=3 99 B5R0.1 O=C(O)CCF 6350AB [0,2,0,0,0,0|2,0,0]=4 100 B5R0.1 O=C(O)\C=C/Br V3608 [0,2,0,0,0,0|2,0,0]=4 101 B5R0.1 O=C(O)\C=C/I 9333AB [0,2,0,0,0,0|2,0,0]=4 102 B5R0.1 O=C(O)\C=C\I V7047 [0,2,0,0,0,0|2,0,0]=4 103 B5R0.3 CC(CN)CN 1710AB [0,2,0,0,0,0|1,0,1]=4 104 B5R0.3 CCC(=O)CN X8894 [0,2,0,0,0,0|1,0,0]=3 105 B5R0.3 CCC(=O)CO X5132 [0,2,0,0,0,0|2,0,0]=4 106 B5R0.3 CNC(=O)NN 9285AA [0,2,0,0,0,0|0,0,0]=2 107 B5R0.3 C\C(C=O)=C/N 3293AB [0,2,0,0,0,0|1,0,0]=3 108 B5R0.3 NNC(=O)NO 7306AD [0,2,0,0,0,0|0,0,0]=2 109 B5R0.3 N\C(CCl)=N/O 0296AE [0,2,0,0,0,0|1,0,1]=4 110 B5R0.3 N\C(CO)=N\O 9010AE [0,2,0,0,0,0|0,0,2]=4 111 B5R0.4 CNS(=O)(=O)Cl Z6740 [0,2,0,0,0,0|2,0,0]=4 112 B5R0.4 CNS(=O)(=O)O 5637AB [0,2,0,0,0,0|2,0,0]=4 113 B5R0.4 NS(=O)(=O)CCl 9800AH [0,2,0,0,0,0|2,0,0]=4 114 B5R0.5 C=C(F)C(=O)[O-] 0621AP [0,2,0,0,0,0|2,0,0]=4 115 B5R0.5 CC(=O)C(=O)[O-] 7017AF [0,2,0,0,0,0|2,0,0]=4 116 B5R0.5 CC(=O)C(C)F 0085AF [0,2,0,0,0,0|2,0,0]=4 117 B5R0.5 CC(O)C(=N)N 2094AL [0,2,0,0,0,0|0,0,2]=4 118 B5R0.5 C[C@@H](O)C(=N)N X6061 [0,2,0,0,0,0|0,0,2]=4 119 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,2,0,0,0,0|0,0,0]=2 120 B5R0.5 NC(=O)C(F)Br 3265AE [0,2,0,0,0,0|1,0,0]=3 121 B5R0.5 NC(=O)C(F)I 3275AE [0,2,0,0,0,0|1,0,0]=3 122 B5R0.5 NC(=S)C(N)=S R074 [0,2,0,0,0,0|0,1,0]=3 123 B5R0.5 O=C(O)C(=O)O 7001AF [0,2,0,0,0,0|2,0,0]=4 124 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,2,0,0,0,0|2,0,0]=4 125 B5R0.5 O=C(O)C(F)Br 8446AJ [0,2,0,0,0,0|2,0,0]=4 126 B5R0.5 O=C(O)C(F)Cl 4068AE [0,2,0,0,0,0|2,0,0]=4 127 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [0,2,0,0,0,0|2,0,0]=4 128 B5R0.5 O=C([O-])C(F)Br 8443AE [0,2,0,0,0,0|2,0,0]=4 129 B5R0.5 O=C([O-])C(F)I 0009AD [0,2,0,0,0,0|2,0,0]=4 130 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [0,1,0,1,0,0|1,0,1]=4