0 B3R0.1 BrCCBr ACS015665 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.1 BrCCO ACS012288 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.1 C(C=C)Br ACS015635 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.1 C(CC)#N ACS015759 [0,0,0,0,0,0|1,0,2]=3 4 B3R0.1 C(CS)S ACS011518 [0,0,0,0,0,0|1,1,0]=2 5 B3R0.1 CNOC ACS012143 [0,0,0,0,0,0|4,0,0]=4 6 B3R0.1 COCCl ACS015654 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.1 Cl/C=C/Cl ACS015767 [0,0,0,0,0,0|2,0,2]=4 8 B3R0.1 ClCC#N ACS015649 [0,0,0,0,0,0|1,0,2]=3 9 B2R0.1 BrCF ACF024059 [1,0,0,0,0,0|2,0,0]=3 10 B2R0.1 C(#N)N ACS015660 [1,0,0,0,0,0|1,0,1]=3 11 B2R0.1 CNC ACS011889 [1,0,0,0,0,0|2,0,0]=3 12 B2R0.1 CNC ACS015682 [1,0,0,0,0,0|2,0,0]=3 13 B2R0.1 CO[NH3+] ACS015713 [1,0,0,0,0,0|1,0,1]=3 14 B2R0.1 O=[Si]=O ACS024429 [1,0,0,0,0,0|1,1,1]=4 15 B2R0.1 [O-]C#N ACS015728 [1,0,0,0,0,0|0,0,3]=4 16 B2R0.1 [PH2](=O)[O-] ACS011509 [1,0,0,0,0,0|2,0,1]=4 17 B2R0.1 [Se](=O)=O ACS024426 [1,0,0,0,0,0|2,0,1]=4 18 B2R0.1 [Sn](Cl)Cl ACS024427 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 BrC(CBr)F ACF024067 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.1 BrCC(=O)Cl ACS012114 [0,1,0,0,0,0|1,0,2]=4 21 B4R0.1 BrCC(C)=O ACS012097 [0,1,0,0,0,0|1,0,2]=4 22 B4R0.1 C(C#C)(=O)O ACS024114 [0,1,0,0,0,0|1,0,2]=4 23 B4R0.1 C(C(C)C)#N ACS015707 [0,1,0,0,0,0|1,0,2]=4 24 B4R0.1 C(C)(C)NN ACS014063 [0,1,0,0,0,0|2,0,0]=3 25 B4R0.1 C(C=C)(=O)N ACS015634 [0,1,0,0,0,0|1,0,2]=4 26 B4R0.1 C(CC)(=O)Cl ACS013417 [0,1,0,0,0,0|1,0,2]=4 27 B4R0.1 C[C@H](CO)Cl ACS011129 [0,1,0,0,0,0|1,0,0]=2 28 B4R0.1 C[C@H](CO)O ACS010855 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.1 ClCC(=O)O ACS015650 [0,1,0,0,0,0|1,0,1]=3 30 B4R0.1 ClCC(=O)[O-] ACS015652 [0,1,0,0,0,0|1,0,2]=4 31 B4R0.1 ClCC(F)F ACF024215 [0,1,0,0,0,0|2,0,0]=3 32 B4R0.1 ClC[C@@H](C)O ACS011608 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.1 ClC[C@H](C)O ACS011609 [0,1,0,0,0,0|1,0,0]=2 34 B4R0.1 FC(CO)F ACF024132 [0,1,0,0,0,0|1,0,0]=2 35 B4R0.1 NCC(=O)[O-] ACS011283 [0,1,0,0,0,0|0,0,2]=3 36 B4R0.1 N[C@@H](C)CO ACS010824 [0,1,0,0,0,0|0,0,0]=1 37 B4R0.2 BrCCCCl ACS015639 [0,1,0,0,0,0|2,0,0]=3 38 B4R0.2 C(=C)OCC ACS015700 [0,1,0,0,0,0|2,0,1]=4 39 B4R0.2 C(=O)OCC ACS015696 [0,1,0,0,0,0|1,0,2]=4 40 B4R0.2 C(CC#N)#N ACS015710 [0,1,0,0,0,0|1,0,2]=4 41 B4R0.2 C(CCC)=O ACS015647 [0,1,0,0,0,0|1,0,1]=3 42 B4R0.2 C(CCC)O ACS015648 [0,1,0,0,0,0|1,0,0]=2 43 B4R0.2 CCOCC ACF015760 [0,1,0,0,0,0|2,0,0]=3 44 B4R0.2 CNCC#C ACS015721 [0,1,0,0,0,0|1,0,1]=3 45 B4R0.2 COCC#N ACS013800 [0,1,0,0,0,0|0,0,2]=3 46 B4R0.2 FCCCO ACF017205 [0,1,0,0,0,0|1,0,0]=2 47 B4R1.1 C1CCC1 ACS015527 [0,0,0,1,0,0|2,0,0]=3 48 B4R1.2 BrC1CC1 ACS015608 [0,0,0,1,0,0|2,0,0]=3 49 B4R1.2 C1(CC1)O ACS020572 [0,0,0,1,0,0|1,0,0]=2 50 B4R1.2 CC1=CC1 ACS011913 [0,0,0,1,0,0|2,0,1]=4 51 B1R0.1 CF ACF024254 [2,0,0,0,0,0|1,0,0]=3 52 B1R0.1 CN ACS012197 [2,0,0,0,0,0|0,0,0]=2 53 B1R0.1 CN ACS015715 [2,0,0,0,0,0|0,0,0]=2 54 B1R0.1 C[S-] ACS011000 [2,0,0,0,0,0|0,1,0]=3 55 B1R0.1 [Ag-]=O ACS024432 [2,0,0,0,0,0|1,0,1]=4 56 B3R0.2 BrC(C)C ACS015643 [1,1,0,0,0,0|1,0,0]=3 57 B3R0.2 BrC(F)Br ACF024065 [1,1,0,0,0,0|2,0,0]=4 58 B3R0.2 C(=S)(N)N ACS015740 [1,1,0,0,0,0|0,1,1]=4 59 B3R0.2 C(C)(=O)Cl ACS013367 [1,1,0,0,0,0|0,0,2]=4 60 B3R0.2 C(C)(=O)N ACS013872 [1,1,0,0,0,0|0,0,1]=3 61 B3R0.2 C(C)(=O)O ACS011399 [1,1,0,0,0,0|0,0,1]=3 62 B3R0.2 C(C)(=O)[O-] ACS010569 [1,1,0,0,0,0|0,0,2]=4 63 B3R0.2 C(C)(=O)[O-] ACS015708 [1,1,0,0,0,0|0,0,2]=4 64 B3R0.2 C(C)(=O)[O-] ACS024406 [1,1,0,0,0,0|0,0,2]=4 65 B3R0.2 C(C)(=O)[O-] ACS024421 [1,1,0,0,0,0|0,0,2]=4 66 B3R0.2 C(C)(=S)O ACS017184 [1,1,0,0,0,0|0,0,1]=3 67 B3R0.2 C(Cl)(Cl)Cl ACS015743 [1,1,0,0,0,0|2,0,0]=4 68 B3R0.2 CP(C)=O ACS012210 [1,1,0,0,0,0|1,0,1]=4 69 B3R0.2 CS(=O)[O-] ACS017178 [1,1,0,0,0,0|1,0,1]=4 70 B3R0.2 P(O)([O-])[O-] ACS024495 [1,1,0,0,0,0|2,0,0]=4 71 B3R0.2 [N+](=O)([O-])C ACS015727 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.1 C(#N)CC(=O)O ACS015661 [0,2,0,0,0,0|0,0,2]=4 73 B5R0.1 CC(CC=O)C ACS015719 [0,2,0,0,0,0|1,0,1]=4 74 B5R0.1 COCC(=O)N ACS015711 [0,2,0,0,0,0|0,0,1]=3 75 B5R0.1 ClCCC(=O)O ACS015651 [0,2,0,0,0,0|1,0,0]=3 76 B5R0.1 OCCC(=O)O ACS011495 [0,2,0,0,0,0|1,0,0]=3 77 B5R0.3 C(NN)(=O)OC ACS011847 [0,2,0,0,0,0|1,0,1]=4 78 B5R0.3 C([C@@H](CCl)O)O ACS010830 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.3 C([C@@H](CO)O)N ACS010825 [0,2,0,0,0,0|0,0,0]=2 80 B5R0.3 C([C@H](CCl)O)O ACS010831 [0,2,0,0,0,0|1,0,0]=3 81 B5R0.3 CNC(CCl)=O ACS012232 [0,2,0,0,0,0|1,0,1]=4 82 B5R0.3 NC(CO)CC ACS011654 [0,2,0,0,0,0|0,0,0]=2 83 B5R0.3 NCC(CN)O ACS012389 [0,2,0,0,0,0|0,0,0]=2 84 B5R0.3 NC[C@@H](CCl)O ACS020120 [0,2,0,0,0,0|0,0,0]=2 85 B5R0.3 NC[C@@H](CO)F ACF022187 [0,2,0,0,0,0|0,0,0]=2 86 B5R0.3 NC[C@H](CO)F ACF022188 [0,2,0,0,0,0|0,0,0]=2 87 B5R0.3 O=C[C@@H](O)CO ACS010919 [0,2,0,0,0,0|1,0,0]=3 88 B5R0.3 O=C[C@@H](O)CO ACS010920 [0,2,0,0,0,0|1,0,0]=3 89 B5R0.3 SCC(=O)OC ACS011380 [0,2,0,0,0,0|1,0,1]=4 90 B5R0.4 BrC(CBr)(F)F ACF024068 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.4 CC(CN)(C)N ACS020018 [0,2,0,0,0,0|1,0,0]=3 92 B5R0.4 FC(CN)(F)F ACF024052 [0,2,0,0,0,0|1,0,0]=3 93 B5R0.4 FC(CN)(F)F ACF024053 [0,2,0,0,0,0|1,0,0]=3 94 B5R0.4 FC(CO)(F)F ACF024241 [0,2,0,0,0,0|1,0,0]=3 95 B5R0.4 NCC(C)(S)C ACS017169 [0,2,0,0,0,0|0,1,0]=3 96 B5R0.5 BrC(C(Br)Br)Br ACS015640 [0,2,0,0,0,0|2,0,0]=4 97 B5R0.5 CC(C(=O)O)Cl ACS010833 [0,2,0,0,0,0|1,0,1]=4 98 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [0,2,0,0,0,0|1,0,1]=4 99 B5R0.5 FC(C(=O)O)C ACF017008 [0,2,0,0,0,0|1,0,1]=4 100 B5R0.5 FC(C(=O)O)F ACF011499 [0,2,0,0,0,0|1,0,1]=4 101 B5R0.5 NC(C)B(O)O ACS019375 [0,2,0,0,0,0|1,0,0]=3 102 B5R0.5 N[C@@H](C)B(O)O ACS019409 [0,2,0,0,0,0|1,0,0]=3 103 B5R0.5 N[C@H](C)B(O)O ACS019415 [0,2,0,0,0,0|1,0,0]=3 104 B5R0.5 N[C@H](C)C(=O)O ACS011403 [0,2,0,0,0,0|0,0,1]=3 105 B5R0.2 BrCCCC#N ACS017125 [0,2,0,0,0,0|1,0,1]=4 106 B5R0.2 BrCCCCBr ACS015666 [0,2,0,0,0,0|2,0,0]=4 107 B5R0.2 BrCCCOC ACS011423 [0,2,0,0,0,0|1,0,0]=3 108 B5R0.2 C(C=CCO)O ACS015766 [0,2,0,0,0,0|1,0,0]=3 109 B5R0.2 CCCCCC ACS015704 [0,2,0,0,0,0|2,0,0]=4 110 B5R0.2 CNCCC#N ACS015717 [0,2,0,0,0,0|1,0,0]=3 111 B5R0.2 COCCOC ACS015683 [0,2,0,0,0,0|1,0,0]=3 112 B5R1.2 C1(CCC1)=O ACS011189 [0,1,0,1,0,0|1,0,1]=4 113 B5R1.2 FC1CNC1 ACF021018 [0,1,0,1,0,0|1,0,0]=3 114 B5R1.2 FC1CNC1 ACF021019 [0,1,0,1,0,0|1,0,0]=3 115 B5R1.3 BrCC1CC1 ACS016880 [0,1,0,1,0,0|2,0,0]=4 116 B5R1.3 C(#N)C1CC1 ACS015609 [0,1,0,1,0,0|1,0,1]=4 117 B5R1.3 C(Cl)C1CO1 ACS015346 [0,1,0,1,0,0|1,0,0]=3 118 B5R1.3 C1(CC1)CO ACS011265 [0,1,0,1,0,0|1,0,0]=3 119 B5R1.3 C1C(O1)CCl ACS010842 [0,1,0,1,0,0|1,0,0]=3 120 B5R1.3 C1[C@H](CC)O1 ACS011611 [0,1,0,1,0,0|1,0,0]=3 121 B5R1.4 FC1C(C1)N ACF021649 [0,1,0,1,0,0|1,0,0]=3 122 B5R1.4 F[C@@H]1[C@@H](C1)N ACF022634 [0,1,0,1,0,0|1,0,0]=3 123 B5R1.4 F[C@@H]1[C@H](C1)N ACF021650 [0,1,0,1,0,0|1,0,0]=3 124 B5R1.4 F[C@H]1[C@H](C1)N ACF021651 [0,1,0,1,0,0|1,0,0]=3 125 B5R1.5 CC1(CC1)O ACS023902 [0,1,0,1,0,0|1,0,0]=3 126 B5R1.5 CC1(OC1)C ACS015341 [0,1,0,1,0,0|1,0,0]=3 127 B5R1.1 N1CC=CC1 ACS024124 [0,1,0,1,0,0|1,0,1]=4 128 B5R1.1 N1CCCC1 ACS015392 [0,1,0,1,0,0|1,0,0]=3