0 B3R0.2 C=C(C)Br 27228 [0,0,0,0,0,0|2,1,1]=4 1 B3R0.2 CB(O)O 6018 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 CC(=O)Cl 17265 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.2 CC(=O)O 22173 [0,0,0,0,0,0|3,0,1]=4 4 B3R0.2 CC(=O)[O-] 10966 [0,0,0,0,0,0|3,0,1]=4 5 B3R0.2 CC(=O)[O-] 18178 [0,0,0,0,0,0|3,0,1]=4 6 B3R0.2 CC(=O)[O-] 26340 [0,0,0,0,0,0|3,0,1]=4 7 B3R0.2 CC(=O)[O-] 3997 [0,0,0,0,0,0|3,0,1]=4 8 B3R0.2 CC(C)Br 18655 [0,0,0,0,0,0|2,1,0]=3 9 B3R0.2 CC(C)I 21400 [0,0,0,0,0,0|2,1,0]=3 10 B3R0.2 CC(F)F 21302 [0,0,0,0,0,0|1,2,0]=3 11 B3R0.2 CC(O)=S 28961 [0,0,0,0,0,0|3,0,1]=4 12 B3R0.2 CC([O-])=S 25455 [0,0,0,0,0,0|3,0,1]=4 13 B3R0.2 CN(C)C 18299 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 CP(C)C 20413 [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 CS(=O)[O-] 28957 [0,0,0,0,0,0|4,0,0]=4 16 B3R0.2 CS(C)=O 44865 [0,0,0,0,0,0|4,0,0]=4 17 B3R0.2 C[PH](C)=O 29395 [0,0,0,0,0,0|4,0,0]=4 18 B3R0.2 C[S+](C)C 44700 [0,0,0,0,0,0|4,0,0]=4 19 B3R0.2 ClC(Br)Br 12531 [0,0,0,0,0,0|0,2,0]=2 20 B3R0.2 Cl[Ru](Cl)Cl 7652 [0,0,0,0,0,0|1,0,0]=1 21 B3R0.2 IC(I)I 28148 [0,0,0,0,0,0|0,3,0]=3 22 B3R0.2 N=C(N)N 21372 [0,0,0,0,0,0|3,0,1]=4 23 B3R0.2 N=C(N)N 36005 [0,0,0,0,0,0|3,0,1]=4 24 B3R0.2 O=C([O-])O 23592 [0,0,0,0,0,0|3,0,1]=4 25 B3R0.2 O=C([O-])[O-] 19981 [0,0,0,0,0,0|3,0,1]=4 26 B3R0.2 O=C([O-])[O-] 26167 [0,0,0,0,0,0|3,0,1]=4 27 B3R0.2 O=I(=O)[O-] 23596 [0,0,0,0,0,0|4,0,0]=4 28 B3R0.2 O=I(=O)[O-] 35037 [0,0,0,0,0,0|4,0,0]=4 29 B3R0.2 O=S(Br)Br 2023 [0,0,0,0,0,0|2,2,0]=4 30 B3R0.2 O=[Os](=O)=O 29022 [0,0,0,0,0,0|4,0,0]=4 31 B3R0.2 OB(O)O 10918 [0,0,0,0,0,0|4,0,0]=4 32 B3R0.2 PC(Cl)Cl 6473 [0,0,0,0,0,0|1,0,0]=1 33 B3R0.2 [O-]B([O-])[O-] 36100 [0,0,0,0,0,0|4,0,0]=4 34 B2R0.1 CCI 21355 [1,0,0,0,0,0|1,1,0]=3 35 B2R0.1 CCN 45201 [1,0,0,0,0,0|2,0,0]=3 36 B2R0.1 CC[O-] 26132 [1,0,0,0,0,0|2,0,0]=3 37 B2R0.1 CNC 18186 [1,0,0,0,0,0|3,0,0]=4 38 B2R0.1 CSC 14218 [1,0,0,0,0,0|3,0,0]=4 39 B2R0.1 CSC 36251 [1,0,0,0,0,0|3,0,0]=4 40 B2R0.1 C[Mg]Br 20745 [1,0,0,0,0,0|2,1,0]=4 41 B2R0.1 ClCBr 2209 [1,0,0,0,0,0|0,1,0]=2 42 B2R0.1 Cl[Co]Cl 25246 [1,0,0,0,0,0|1,0,0]=2 43 B2R0.1 FCBr 2382 [1,0,0,0,0,0|0,2,0]=3 44 B2R0.1 FCCl 35673 [1,0,0,0,0,0|0,1,0]=2 45 B2R0.1 N#CBr 12515 [1,0,0,0,0,0|1,1,1]=4 46 B2R0.1 N#C[Cu] 24249 [1,0,0,0,0,0|2,0,1]=4 47 B2R0.1 N#C[O-] 23312 [1,0,0,0,0,0|2,0,1]=4 48 B2R0.1 O=[PH2][O-] 12707 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 C#C[C@@H](C)O 20211 [0,1,0,0,0,0|3,0,0]=4 50 B4R0.1 C=C(C)CCl 20429 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.1 C=C(Cl)C#N 15121 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.1 CC(C)CI 3951 [0,1,0,0,0,0|2,1,0]=4 53 B4R0.1 CC(C)NN 26972 [0,1,0,0,0,0|3,0,0]=4 54 B4R0.1 CC(O)CBr 12555 [0,1,0,0,0,0|2,1,0]=4 55 B4R0.1 CCC(C)Br 3753 [0,1,0,0,0,0|2,1,0]=4 56 B4R0.1 CCC(C)I 3940 [0,1,0,0,0,0|2,1,0]=4 57 B4R0.1 CCC(C)O 6718 [0,1,0,0,0,0|3,0,0]=4 58 B4R0.1 CC[C@@H](C)N 6741 [0,1,0,0,0,0|3,0,0]=4 59 B4R0.1 CC[C@@H](C)O 6717 [0,1,0,0,0,0|3,0,0]=4 60 B4R0.1 CC[C@H](C)N 6743 [0,1,0,0,0,0|3,0,0]=4 61 B4R0.1 CNC(C)C 10279 [0,1,0,0,0,0|3,0,0]=4 62 B4R0.1 COC(Cl)Cl 2376 [0,1,0,0,0,0|1,0,0]=2 63 B4R0.1 C[C@@H](Cl)CO 8287 [0,1,0,0,0,0|2,0,0]=3 64 B4R0.1 C[C@@H](N)CN 29215 [0,1,0,0,0,0|3,0,0]=4 65 B4R0.1 C[C@@H](N)CO 9884 [0,1,0,0,0,0|3,0,0]=4 66 B4R0.1 C[C@@H](O)CBr 23955 [0,1,0,0,0,0|2,1,0]=4 67 B4R0.1 C[C@@H](O)CCl 14071 [0,1,0,0,0,0|2,0,0]=3 68 B4R0.1 C[C@@H](O)CI 23956 [0,1,0,0,0,0|2,1,0]=4 69 B4R0.1 C[C@@H](O)CN 5721 [0,1,0,0,0,0|3,0,0]=4 70 B4R0.1 C[C@@H](O)CO 5857 [0,1,0,0,0,0|3,0,0]=4 71 B4R0.1 C[C@H](Cl)CO 8285 [0,1,0,0,0,0|2,0,0]=3 72 B4R0.1 C[C@H](N)CN 15232 [0,1,0,0,0,0|3,0,0]=4 73 B4R0.1 C[C@H](N)CO 5710 [0,1,0,0,0,0|3,0,0]=4 74 B4R0.1 C[C@H](O)CBr 20478 [0,1,0,0,0,0|2,1,0]=4 75 B4R0.1 C[C@H](O)CCl 14072 [0,1,0,0,0,0|2,0,0]=3 76 B4R0.1 C[C@H](O)CN 5720 [0,1,0,0,0,0|3,0,0]=4 77 B4R0.1 C[C@H](O)CO 5853 [0,1,0,0,0,0|3,0,0]=4 78 B4R0.1 N#CC(Br)Br 12509 [0,1,0,0,0,0|1,2,0]=4 79 B4R0.1 N#CC(Cl)Cl 17242 [0,1,0,0,0,0|1,0,0]=2 80 B4R0.1 N=C(N)CCl 20222 [0,1,0,0,0,0|2,0,1]=4 81 B4R0.1 O=C(Cl)CBr 24880 [0,1,0,0,0,0|1,1,1]=4 82 B4R0.1 OCC(F)F 26977 [0,1,0,0,0,0|1,2,0]=4 83 B4R0.1 PCC(Cl)Cl 6479 [0,1,0,0,0,0|1,0,0]=2 84 B4R0.1 [C-]#[N+]C(C)C 29396 [0,1,0,0,0,0|3,0,0]=4 85 B4R0.3 CC(C)(C)Br 3814 [0,1,0,0,0,0|2,1,0]=4 86 B4R0.3 CC(C)(C)N 18255 [0,1,0,0,0,0|3,0,0]=4 87 B4R0.3 CC(C)(C)O 3012 [0,1,0,0,0,0|3,0,0]=4 88 B4R0.3 CC(C)(C)[O-] 18949 [0,1,0,0,0,0|3,0,0]=4 89 B4R0.3 CC(C)(C)[O-] 29323 [0,1,0,0,0,0|3,0,0]=4 90 B4R0.3 CC(O)(O)O 21654 [0,1,0,0,0,0|3,0,0]=4 91 B4R0.3 CP(=O)(Cl)Cl 25538 [0,1,0,0,0,0|2,0,0]=3 92 B4R0.3 CS(=O)(=O)Cl 1917 [0,1,0,0,0,0|3,0,0]=4 93 B4R0.3 FC(F)(Br)Br 26155 [0,1,0,0,0,0|0,3,0]=4 94 B4R0.3 NS(=O)(=O)Cl 21857 [0,1,0,0,0,0|3,0,0]=4 95 B4R0.3 O=S(=O)(Cl)Cl 25435 [0,1,0,0,0,0|2,0,0]=3 96 B4R1.2 BrC1CC1 14417 [0,0,0,1,0,0|2,1,0]=4 97 B4R1.2 C[C@@H]1CO1 5829 [0,0,0,1,0,0|3,0,0]=4 98 B4R1.2 C[C@H]1CO1 5828 [0,0,0,1,0,0|3,0,0]=4 99 B4R1.2 OC1CC1 34599 [0,0,0,1,0,0|3,0,0]=4 100 B1R0.1 CF 29083 [2,0,0,0,0,0|0,1,0]=3 101 B1R0.1 CN 29301 [2,0,0,0,0,0|1,0,0]=3 102 B1R0.1 C[S-] 7072 [2,0,0,0,0,0|1,0,0]=3 103 B1R0.1 ClI 21352 [2,0,0,0,0,0|0,1,0]=3 104 B1R0.1 NN 17422 [2,0,0,0,0,0|2,0,0]=4 105 B1R0.1 NN 21005 [2,0,0,0,0,0|2,0,0]=4 106 B1R0.1 NN 26395 [2,0,0,0,0,0|2,0,0]=4 107 B1R0.1 NO 23590 [2,0,0,0,0,0|2,0,0]=4 108 B1R0.1 [C-]#[O+] 35949 [2,0,0,0,0,0|1,0,1]=4 109 B3R0.1 C#CCBr 20264 [1,1,0,0,0,0|1,1,0]=4 110 B3R0.1 C#CCN 18842 [1,1,0,0,0,0|2,0,0]=4 111 B3R0.1 C#CCN 18845 [1,1,0,0,0,0|2,0,0]=4 112 B3R0.1 C=CCCl 35025 [1,1,0,0,0,0|1,0,0]=3 113 B3R0.1 C=CCI 12655 [1,1,0,0,0,0|1,1,0]=4 114 B3R0.1 C=CCN 19133 [1,1,0,0,0,0|2,0,0]=4 115 B3R0.1 CCCI 3977 [1,1,0,0,0,0|1,1,0]=4 116 B3R0.1 CCC[S-] 35319 [1,1,0,0,0,0|2,0,0]=4 117 B3R0.1 CCNC 10275 [1,1,0,0,0,0|2,0,0]=4 118 B3R0.1 CCNN 16833 [1,1,0,0,0,0|2,0,0]=4 119 B3R0.1 CCON 35706 [1,1,0,0,0,0|2,0,0]=4 120 B3R0.1 CC[Mg]Br 23799 [1,1,0,0,0,0|1,1,0]=4 121 B3R0.1 COCBr 23167 [1,1,0,0,0,0|1,1,0]=4 122 B3R0.1 N#CCBr 12656 [1,1,0,0,0,0|1,1,0]=4 123 B3R0.1 N#CCI 12543 [1,1,0,0,0,0|1,1,0]=4 124 B3R0.1 NCCBr 32344 [1,1,0,0,0,0|1,1,0]=4 125 B3R0.1 NCCF 19132 [1,1,0,0,0,0|1,1,0]=4 126 B3R0.1 NCCO 24767 [1,1,0,0,0,0|2,0,0]=4 127 B3R0.1 SCCS 12844 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.1 O=C(Cl)CCCl 13691 [0,2,0,0,0,0|1,0,1]=4 129 B5R0.3 NC[C@H](O)CCl 34211 [0,2,0,0,0,0|2,0,0]=4 130 B5R0.3 O=CC(Cl)C=O 27131 [0,2,0,0,0,0|2,0,0]=4 131 B5R0.3 OC(CCl)CCl 5871 [0,2,0,0,0,0|1,0,0]=3 132 B5R0.3 OCC(O)CCl 21311 [0,2,0,0,0,0|2,0,0]=4 133 B5R0.3 OC[C@@H](O)CCl 5741 [0,2,0,0,0,0|2,0,0]=4 134 B5R0.3 OC[C@H](O)CCl 5740 [0,2,0,0,0,0|2,0,0]=4 135 B5R0.4 CC(C)(O)CCl 3675 [0,2,0,0,0,0|2,0,0]=4 136 B5R0.4 C[Si](C)(Cl)CCl 13667 [0,2,0,0,0,0|1,1,0]=4 137 B5R0.4 O=S(=O)(Cl)CCl 12506 [0,2,0,0,0,0|2,0,0]=4 138 B5R0.5 CC(Br)C(=O)Cl 35707 [0,2,0,0,0,0|1,1,0]=4 139 B5R0.5 CC(C)C(=O)Cl 18648 [0,2,0,0,0,0|2,0,0]=4 140 B5R0.5 CC(Cl)C(=O)O 5746 [0,2,0,0,0,0|2,0,0]=4 141 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [0,2,0,0,0,0|2,0,0]=4 142 B5R0.5 C[N+](C)=C(Cl)Cl 32209 [0,2,0,0,0,0|1,0,1]=4 143 B5R0.5 O=C([O-])C(Cl)Cl 27176 [0,2,0,0,0,0|1,0,0]=3 144 B5R1.3 ClCC1CC1 10983 [0,1,0,1,0,0|2,0,0]=4 145 B5R1.3 ClCC1CO1 5779 [0,1,0,1,0,0|2,0,0]=4 146 B5R1.3 ClCC1CO1 5780 [0,1,0,1,0,0|2,0,0]=4