0 B2R0.1 CCI 21355 [0,0,0,0,0,0|2,1,0]=3 1 B2R0.1 CCN 45201 [0,0,0,0,0,0|3,0,0]=3 2 B2R0.1 CC[O-] 26132 [0,0,0,0,0,0|3,0,0]=3 3 B2R0.1 CNC 18186 [0,0,0,0,0,0|3,0,0]=3 4 B2R0.1 CSC 14218 [0,0,0,0,0,0|3,0,0]=3 5 B2R0.1 CSC 36251 [0,0,0,0,0,0|3,0,0]=3 6 B2R0.1 C[Mg]Br 20745 [0,0,0,0,0,0|2,1,0]=3 7 B2R0.1 ClCBr 2209 [0,0,0,0,0,0|1,1,0]=2 8 B2R0.1 Cl[Co]Cl 25246 [0,0,0,0,0,0|0,1,0]=1 9 B2R0.1 FCBr 2382 [0,0,0,0,0,0|1,2,0]=3 10 B2R0.1 FCCl 35673 [0,0,0,0,0,0|1,1,0]=2 11 B2R0.1 N#CBr 12515 [0,0,0,0,0,0|2,1,0]=3 12 B2R0.1 N#C[Cu] 24249 [0,0,0,0,0,0|3,0,0]=3 13 B2R0.1 N#C[O-] 23312 [0,0,0,0,0,0|3,0,0]=3 14 B2R0.1 O=[PH2][O-] 12707 [0,0,0,0,0,0|3,0,0]=3 15 B1R0.1 CF 29083 [1,0,0,0,0,0|1,1,0]=3 16 B1R0.1 CN 29301 [1,0,0,0,0,0|2,0,0]=3 17 B1R0.1 C[S-] 7072 [1,0,0,0,0,0|2,0,0]=3 18 B1R0.1 ClI 21352 [1,0,0,0,0,0|0,1,0]=2 19 B1R0.1 NN 17422 [1,0,0,0,0,0|2,0,0]=3 20 B1R0.1 NN 21005 [1,0,0,0,0,0|2,0,0]=3 21 B1R0.1 NN 26395 [1,0,0,0,0,0|2,0,0]=3 22 B1R0.1 NO 23590 [1,0,0,0,0,0|2,0,0]=3 23 B1R0.1 [C-]#[O+] 35949 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.1 C#CCBr 20264 [0,1,0,0,0,0|2,1,0]=4 25 B3R0.1 C#CCN 18842 [0,1,0,0,0,0|3,0,0]=4 26 B3R0.1 C#CCN 18845 [0,1,0,0,0,0|3,0,0]=4 27 B3R0.1 C#C[Mg]Br 18180 [0,1,0,0,0,0|2,1,0]=4 28 B3R0.1 C=CC=O 23303 [0,1,0,0,0,0|3,0,0]=4 29 B3R0.1 C=CCCl 35025 [0,1,0,0,0,0|2,0,0]=3 30 B3R0.1 C=CCI 12655 [0,1,0,0,0,0|2,1,0]=4 31 B3R0.1 C=CCN 19133 [0,1,0,0,0,0|3,0,0]=4 32 B3R0.1 CCCI 3977 [0,1,0,0,0,0|2,1,0]=4 33 B3R0.1 CCC[S-] 35319 [0,1,0,0,0,0|3,0,0]=4 34 B3R0.1 CCNC 10275 [0,1,0,0,0,0|3,0,0]=4 35 B3R0.1 CCNN 16833 [0,1,0,0,0,0|3,0,0]=4 36 B3R0.1 CCON 35706 [0,1,0,0,0,0|3,0,0]=4 37 B3R0.1 CC[Mg]Br 23799 [0,1,0,0,0,0|2,1,0]=4 38 B3R0.1 CNC=O 35283 [0,1,0,0,0,0|3,0,0]=4 39 B3R0.1 CNOC 25934 [0,1,0,0,0,0|3,0,0]=4 40 B3R0.1 COCBr 23167 [0,1,0,0,0,0|2,1,0]=4 41 B3R0.1 CSSC 9665 [0,1,0,0,0,0|3,0,0]=4 42 B3R0.1 N#CCBr 12656 [0,1,0,0,0,0|2,1,0]=4 43 B3R0.1 N#CCI 12543 [0,1,0,0,0,0|2,1,0]=4 44 B3R0.1 NCCBr 32344 [0,1,0,0,0,0|2,1,0]=4 45 B3R0.1 NCCF 19132 [0,1,0,0,0,0|2,1,0]=4 46 B3R0.1 NCCO 24767 [0,1,0,0,0,0|3,0,0]=4 47 B3R0.1 NNC=O 32333 [0,1,0,0,0,0|3,0,0]=4 48 B3R0.1 SCCS 12844 [0,1,0,0,0,0|3,0,0]=4 49 B3R0.2 C=C(C)Br 27228 [0,1,0,0,0,0|2,1,0]=4 50 B3R0.2 CB(O)O 6018 [0,1,0,0,0,0|3,0,0]=4 51 B3R0.2 CC(=O)Cl 17265 [0,1,0,0,0,0|2,0,0]=3 52 B3R0.2 CC(=O)O 22173 [0,1,0,0,0,0|3,0,0]=4 53 B3R0.2 CC(=O)[O-] 10966 [0,1,0,0,0,0|3,0,0]=4 54 B3R0.2 CC(=O)[O-] 18178 [0,1,0,0,0,0|3,0,0]=4 55 B3R0.2 CC(=O)[O-] 26340 [0,1,0,0,0,0|3,0,0]=4 56 B3R0.2 CC(=O)[O-] 3997 [0,1,0,0,0,0|3,0,0]=4 57 B3R0.2 CC(C)Br 18655 [0,1,0,0,0,0|2,1,0]=4 58 B3R0.2 CC(C)I 21400 [0,1,0,0,0,0|2,1,0]=4 59 B3R0.2 CC(F)F 21302 [0,1,0,0,0,0|1,2,0]=4 60 B3R0.2 CC(O)=S 28961 [0,1,0,0,0,0|3,0,0]=4 61 B3R0.2 CC([O-])=S 25455 [0,1,0,0,0,0|3,0,0]=4 62 B3R0.2 CN(C)C 18299 [0,1,0,0,0,0|3,0,0]=4 63 B3R0.2 CP(C)C 20413 [0,1,0,0,0,0|3,0,0]=4 64 B3R0.2 CS(=O)[O-] 28957 [0,1,0,0,0,0|3,0,0]=4 65 B3R0.2 CS(C)=O 44865 [0,1,0,0,0,0|3,0,0]=4 66 B3R0.2 C[PH](C)=O 29395 [0,1,0,0,0,0|3,0,0]=4 67 B3R0.2 C[S+](C)C 44700 [0,1,0,0,0,0|3,0,0]=4 68 B3R0.2 ClC(Br)Br 12531 [0,1,0,0,0,0|1,1,0]=3 69 B3R0.2 Cl[Ru](Cl)Cl 7652 [0,1,0,0,0,0|0,1,0]=2 70 B3R0.2 IC(I)I 28148 [0,1,0,0,0,0|1,2,0]=4 71 B3R0.2 N=C(N)N 21372 [0,1,0,0,0,0|3,0,0]=4 72 B3R0.2 N=C(N)N 36005 [0,1,0,0,0,0|3,0,0]=4 73 B3R0.2 O=C([O-])O 23592 [0,1,0,0,0,0|3,0,0]=4 74 B3R0.2 O=C([O-])[O-] 19981 [0,1,0,0,0,0|3,0,0]=4 75 B3R0.2 O=C([O-])[O-] 26167 [0,1,0,0,0,0|3,0,0]=4 76 B3R0.2 O=I(=O)[O-] 23596 [0,1,0,0,0,0|3,0,0]=4 77 B3R0.2 O=I(=O)[O-] 35037 [0,1,0,0,0,0|3,0,0]=4 78 B3R0.2 O=S(Br)Br 2023 [0,1,0,0,0,0|1,2,0]=4 79 B3R0.2 O=[Os](=O)=O 29022 [0,1,0,0,0,0|2,1,0]=4 80 B3R0.2 OB(O)O 10918 [0,1,0,0,0,0|3,0,0]=4 81 B3R0.2 PC(Cl)Cl 6473 [0,1,0,0,0,0|1,0,0]=2 82 B3R0.2 [O-]B([O-])[O-] 36100 [0,1,0,0,0,0|3,0,0]=4 83 B0R0.1 B 18303 [2,0,0,0,0,0|0,0,0]=2 84 B0R0.1 O 17617 [2,0,0,0,0,0|0,0,0]=2 85 B0R0.1 O 24809 [2,0,0,0,0,0|0,0,0]=2 86 B0R0.1 O 25288 [2,0,0,0,0,0|0,0,0]=2 87 B0R0.1 [18OH2] 2391 [2,0,0,0,0,0|0,0,0]=2 88 B0R0.1 [AlH7-] 21360 [2,0,0,0,0,0|0,0,0]=2 89 B0R0.1 [Cl-] 36197 [2,0,0,0,0,0|0,0,0]=2 90 B0R0.1 [Pd] 21560 [2,0,0,0,0,0|0,0,0]=2 91 B0R0.1 [S] 24703 [2,0,0,0,0,0|0,0,0]=2 92 B4R0.1 C=C(C)CCl 20429 [0,2,0,0,0,0|2,0,0]=4 93 B4R0.1 C=C(Cl)C#N 15121 [0,2,0,0,0,0|2,0,0]=4 94 B4R0.1 COC(Cl)Cl 2376 [0,2,0,0,0,0|1,0,0]=3 95 B4R0.1 C[C@@H](Cl)CO 8287 [0,2,0,0,0,0|2,0,0]=4 96 B4R0.1 C[C@@H](O)CCl 14071 [0,2,0,0,0,0|2,0,0]=4 97 B4R0.1 C[C@H](Cl)CO 8285 [0,2,0,0,0,0|2,0,0]=4 98 B4R0.1 C[C@H](O)CCl 14072 [0,2,0,0,0,0|2,0,0]=4 99 B4R0.1 N#CC(Cl)Cl 17242 [0,2,0,0,0,0|1,0,0]=3 100 B4R0.1 N=C(N)CCl 20222 [0,2,0,0,0,0|2,0,0]=4 101 B4R0.1 O=C(Cl)CBr 24880 [0,2,0,0,0,0|1,1,0]=4 102 B4R0.1 PCC(Cl)Cl 6479 [0,2,0,0,0,0|1,0,0]=3 103 B4R0.2 C=CC[Pd]Cl 16020 [0,2,0,0,0,0|1,1,0]=4 104 B4R0.2 CCOCCl 18683 [0,2,0,0,0,0|2,0,0]=4 105 B4R0.2 CNCCCl 35179 [0,2,0,0,0,0|2,0,0]=4 106 B4R0.2 COCCCl 1911 [0,2,0,0,0,0|2,0,0]=4 107 B4R0.2 CSCCCl 35891 [0,2,0,0,0,0|2,0,0]=4 108 B4R0.3 CP(=O)(Cl)Cl 25538 [0,2,0,0,0,0|1,0,0]=3 109 B4R0.3 CS(=O)(=O)Cl 1917 [0,2,0,0,0,0|2,0,0]=4 110 B4R0.3 NS(=O)(=O)Cl 21857 [0,2,0,0,0,0|2,0,0]=4 111 B4R0.3 O=S(=O)(Cl)Cl 25435 [0,2,0,0,0,0|1,0,0]=3