0 B3R0.1 BrCCBr ACS015665 [0,0,0,0,0,0|2,0,2]=4 1 B3R0.1 BrCCO ACS012288 [0,0,0,0,0,0|1,0,3]=4 2 B3R0.1 C(C=C)Br ACS015635 [0,0,0,0,0,0|1,0,1]=2 3 B3R0.1 C(CC)#N ACS015759 [0,0,0,0,0,0|1,0,3]=4 4 B3R0.1 C(CS)S ACS011518 [0,0,0,0,0,0|1,1,2]=4 5 B3R0.1 CNOC ACS012143 [0,0,0,0,0,0|3,0,1]=4 6 B3R0.1 COCCl ACS015654 [0,0,0,0,0,0|2,0,2]=4 7 B3R0.1 Cl/C=C/Cl ACS015767 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.1 ClCC#N ACS015649 [0,0,0,0,0,0|2,0,2]=4 9 B2R0.1 BrCF ACF024059 [1,0,0,0,0,0|2,0,1]=4 10 B2R0.1 C(#N)N ACS015660 [1,0,0,0,0,0|2,0,1]=4 11 B2R0.1 CNC ACS011889 [1,0,0,0,0,0|1,0,2]=4 12 B2R0.1 CNC ACS015682 [1,0,0,0,0,0|1,0,2]=4 13 B2R0.1 CO[NH3+] ACS015713 [1,0,0,0,0,0|2,0,1]=4 14 B2R0.1 O=[Si]=O ACS024429 [1,0,0,0,0,0|1,1,0]=3 15 B2R0.1 [O-]C#N ACS015728 [1,0,0,0,0,0|1,0,2]=4 16 B2R0.1 [PH2](=O)[O-] ACS011509 [1,0,0,0,0,0|2,0,0]=3 17 B2R0.1 [Se](=O)=O ACS024426 [1,0,0,0,0,0|2,0,0]=3 18 B2R0.1 [Sn](Cl)Cl ACS024427 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 BrCC(=O)Cl ACS012114 [0,1,0,0,0,0|1,0,1]=3 20 B4R0.1 BrCC(C)=O ACS012097 [0,1,0,0,0,0|1,0,1]=3 21 B4R0.1 C(C#C)(=O)O ACS024114 [0,1,0,0,0,0|0,0,2]=3 22 B4R0.1 C(C=C)(=O)N ACS015634 [0,1,0,0,0,0|0,0,0]=1 23 B4R0.1 C(CC)(=O)Cl ACS013417 [0,1,0,0,0,0|0,0,2]=3 24 B4R0.1 ClCC(=O)O ACS015650 [0,1,0,0,0,0|1,0,1]=3 25 B4R0.1 ClCC(=O)[O-] ACS015652 [0,1,0,0,0,0|1,0,1]=3 26 B4R0.1 NCC(=O)[O-] ACS011283 [0,1,0,0,0,0|1,0,1]=3 27 B4R0.2 C(/C=C/C)=O ACS015659 [0,1,0,0,0,0|0,0,0]=1 28 B4R0.2 C(=C)OCC ACS015700 [0,1,0,0,0,0|1,0,1]=3 29 B4R0.2 C(=O)OCC ACS015696 [0,1,0,0,0,0|0,0,2]=3 30 B4R0.2 C(CCC)=O ACS015647 [0,1,0,0,0,0|0,0,2]=3 31 B4R1.2 CC1=CC1 ACS011913 [0,0,0,1,0,0|1,0,1]=3 32 B1R0.1 CF ACF024254 [2,0,0,0,0,0|1,0,1]=4 33 B1R0.1 CN ACS012197 [2,0,0,0,0,0|1,0,1]=4 34 B1R0.1 CN ACS015715 [2,0,0,0,0,0|1,0,1]=4 35 B1R0.1 C[S-] ACS011000 [2,0,0,0,0,0|0,1,1]=4 36 B1R0.1 [Ag-]=O ACS024432 [2,0,0,0,0,0|1,0,0]=3 37 B3R0.2 BrC(=C)F ACF024060 [1,1,0,0,0,0|1,0,0]=3 38 B3R0.2 C(=C)(F)F ACF024264 [1,1,0,0,0,0|1,0,0]=3 39 B3R0.2 C(=S)(N)N ACS015740 [1,1,0,0,0,0|1,1,0]=4 40 B3R0.2 C(C)(=O)Cl ACS013367 [1,1,0,0,0,0|0,0,1]=3 41 B3R0.2 C(C)(=O)N ACS013872 [1,1,0,0,0,0|0,0,1]=3 42 B3R0.2 C(C)(=O)O ACS011399 [1,1,0,0,0,0|0,0,1]=3 43 B3R0.2 C(C)(=O)[O-] ACS010569 [1,1,0,0,0,0|0,0,1]=3 44 B3R0.2 C(C)(=O)[O-] ACS015708 [1,1,0,0,0,0|0,0,1]=3 45 B3R0.2 C(C)(=O)[O-] ACS024406 [1,1,0,0,0,0|0,0,1]=3 46 B3R0.2 C(C)(=O)[O-] ACS024421 [1,1,0,0,0,0|0,0,1]=3 47 B3R0.2 C(C)(=S)O ACS017184 [1,1,0,0,0,0|0,0,2]=4 48 B3R0.2 CP(C)=O ACS012210 [1,1,0,0,0,0|1,0,1]=4 49 B3R0.2 CS(=O)[O-] ACS017178 [1,1,0,0,0,0|1,0,1]=4 50 B3R0.2 ClC(=C)F ACF024061 [1,1,0,0,0,0|1,0,0]=3 51 B3R0.2 [N+](=O)([O-])C ACS015727 [1,1,0,0,0,0|1,0,1]=4 52 B3R0.2 [O-][Sn](=O)[O-] ACS012313 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.1 C(#N)CC(=O)O ACS015661 [0,2,0,0,0,0|0,0,2]=4 54 B5R0.1 C(/C=C/C)(=O)O ACS015662 [0,2,0,0,0,0|0,0,0]=2 55 B5R0.1 C(C#CC)(=O)O ACS011747 [0,2,0,0,0,0|0,0,2]=4 56 B5R0.1 CC(=CCBr)C ACS015684 [0,2,0,0,0,0|1,0,1]=4 57 B5R0.1 CC(CC=O)C ACS015719 [0,2,0,0,0,0|0,0,2]=4 58 B5R0.1 COCC(=O)N ACS015711 [0,2,0,0,0,0|0,0,2]=4 59 B5R0.1 ClCCC(=O)O ACS015651 [0,2,0,0,0,0|0,0,2]=4 60 B5R0.1 OCCC(=O)O ACS011495 [0,2,0,0,0,0|0,0,2]=4 61 B5R0.3 BrC(C=O)C=O ACS015637 [0,2,0,0,0,0|0,0,1]=3 62 B5R0.3 C(NN)(=O)OC ACS011847 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.3 CNC(CCl)=O ACS012232 [0,2,0,0,0,0|1,0,1]=4 64 B5R0.3 O=C[C@@H](O)CO ACS010919 [0,2,0,0,0,0|0,0,2]=4 65 B5R0.3 O=C[C@@H](O)CO ACS010920 [0,2,0,0,0,0|0,0,2]=4 66 B5R0.3 SCC(=O)OC ACS011380 [0,2,0,0,0,0|1,0,1]=4 67 B5R0.4 C(=C)S(=O)(=O)F ACF024326 [0,2,0,0,0,0|1,0,0]=3 68 B5R0.4 C(=C)[B-](F)(F)F ACF011432 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.4 CC(C=O)(C)C ACS010245 [0,2,0,0,0,0|0,0,2]=4 70 B5R0.4 ClC(C=O)(Cl)Cl ACS015756 [0,2,0,0,0,0|1,0,1]=4 71 B5R0.5 C(C(=O)C)(=O)O ACS015732 [0,2,0,0,0,0|0,0,1]=3 72 B5R0.5 C(C(C)C)(=O)Cl ACS013410 [0,2,0,0,0,0|0,0,2]=4 73 B5R0.5 CC(C(=O)O)Cl ACS010833 [0,2,0,0,0,0|0,0,2]=4 74 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [0,2,0,0,0,0|0,0,2]=4 75 B5R0.5 ClC(=C(F)F)Cl ACF024062 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.5 ClC(C(=O)[O-])Cl ACS012157 [0,2,0,0,0,0|1,0,1]=4 77 B5R0.5 FC(C(=O)C)F ACF024170 [0,2,0,0,0,0|1,0,1]=4 78 B5R0.5 FC(C(=O)O)C ACF017008 [0,2,0,0,0,0|0,0,2]=4 79 B5R0.5 FC(C(=O)O)F ACF011499 [0,2,0,0,0,0|1,0,1]=4 80 B5R0.5 NC(=O)C(=O)N ACS011838 [0,2,0,0,0,0|1,0,0]=3 81 B5R0.5 N[C@H](C)C(=O)O ACS011403 [0,2,0,0,0,0|0,0,2]=4 82 B5R0.2 C(C=CCO)O ACS015766 [0,2,0,0,0,0|0,0,2]=4 83 B5R1.2 C1(CCC1)=O ACS011189 [0,1,0,1,0,0|0,0,2]=4 84 B5R1.1 N1C=CC=C1 ACS011791 [0,1,0,1,0,0|1,0,0]=3 85 B5R1.1 N1C=NC=C1 ACS015364 [0,1,0,1,0,0|1,0,0]=3 86 B5R1.1 N1CC=CC1 ACS024124 [0,1,0,1,0,0|1,0,1]=4 87 B5R1.1 N1N=CN=C1 ACS015393 [0,1,0,1,0,0|2,0,0]=4 88 B5R1.1 O1N=CC=C1 ACS011160 [0,1,0,1,0,0|0,0,1]=3 89 B5R1.1 S1C=CC=C1 ACS015394 [0,1,0,1,0,0|0,1,0]=3 90 B5R1.1 S1N=CC=C1 ACS012108 [0,1,0,1,0,0|0,1,0]=3 91 B5R1.1 [CH-]1C=CC=C1 ACS012213 [0,1,0,1,0,0|1,0,0]=3