0 B4R0.1 C/C(N)=N/O AC511072 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 CC(=C)CBr AC500207 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 CC(=O)CN AC511171 [0,0,0,0,0,0|0,0,2]=2 3 B4R0.1 CC(=O)NN AC130308 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 CC(=O)NO AC130286 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(=O)NO HY-B1235 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(C)NN AC130058 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 CC(C)ON AC511892 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CC(N)CO AC510879 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 CCC(N)=N AC512090 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 CNN(C)C AC021456 [0,0,0,0,0,0|4,0,0]=4 11 B4R0.1 C[C@@H](O)CN AC180581 [0,0,0,0,0,0|0,0,4]=4 12 B4R0.1 C[C@H](N)CO AC511021 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 NC(=N)CCl AC070120 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 NC(=O)CBr AC500017 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 NC(=O)NO HY-B0313 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 NCC(N)=O AC511550 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 NNC(N)=N HY-B1041 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 NNC(N)=O AC131764 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 ON=C(Br)Br AC510358 [0,0,0,0,0,0|4,0,0]=4 20 B3R0.1 CCC[CH2-] AC310111 [1,0,0,0,0,0|1,0,2]=4 21 B3R0.1 CNOC AC130092 [1,0,0,0,0,0|3,0,0]=4 22 B3R0.2 CB(O)O AC500190 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.2 CC(=O)[O-] LN00194400 [1,0,0,0,0,0|1,0,0]=2 24 B3R0.2 CC(N)=S AC510891 [1,0,0,0,0,0|0,1,1]=3 25 B3R0.2 CC([O-])=O AC180064 [1,0,0,0,0,0|1,0,0]=2 26 B3R0.2 CC([O-])=O AC180277 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.2 CC([O-])=O AC511050 [1,0,0,0,0,0|1,0,0]=2 28 B3R0.2 CN(C)C AC130299 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.2 CP(C)=O AC130246 [1,0,0,0,0,0|1,0,1]=3 30 B3R0.2 NC(N)=N HY-B0178A [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(=O)CC#N AC511126 [0,1,0,0,0,0|0,0,0]=1 32 B5R0.1 CC(N)CC#N AC120042 [0,1,0,0,0,0|1,0,1]=3 33 B5R0.1 CCCC([O-])=O HY-B0350A [0,1,0,0,0,0|2,0,1]=4 34 B5R0.1 CCOC(C)=N AC510695 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.1 CCOC(N)=O HY-B1207 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 CNCC(O)=O AC500168 [0,1,0,0,0,0|1,0,2]=4 37 B5R0.1 NCCC(N)=O AC510910 [0,1,0,0,0,0|1,0,2]=4 38 B5R0.1 OC(=O)CC#C AC511130 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.3 CCC(=N)NO AC050497 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.3 COC(=O)CO AC190202 [0,1,0,0,0,0|1,0,1]=3 41 B5R0.3 COC(=S)NN AC060048 [0,1,0,0,0,0|1,1,1]=4 42 B5R0.3 OCC(=C)CO AC511178 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.4 COS(C)(=O)=O AC511052 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.4 CSS(C)(=O)=O AC280012 [0,1,0,0,0,0|3,0,0]=4 45 B5R0.5 CC(=O)C(O)=O AC500188 [0,1,0,0,0,0|1,0,1]=3 46 B5R0.5 OC(=O)C(F)=C AC511915 [0,1,0,0,0,0|2,0,1]=4 47 B5R1.2 O=C1CCC1 AC130256 [0,0,0,1,0,0|1,0,1]=3 48 B5R1.2 O=C1COC1 AC130304 [0,0,0,1,0,0|1,0,1]=3 49 B5R1.2 O=C1CSC1 AC010018 [0,0,0,1,0,0|1,0,1]=3 50 B5R1.3 N#CC1CC1 AC130285 [0,0,0,1,0,0|1,0,1]=3 51 B2R0.1 CC#N AC180295 [2,0,0,0,0,0|0,0,0]=2 52 B2R0.1 CCBr AC190165 [2,0,0,0,0,0|1,0,1]=4 53 B2R0.1 CNO AC500043 [2,0,0,0,0,0|1,0,1]=4 54 B2R0.1 CON AC131051 [2,0,0,0,0,0|1,0,1]=4 55 B2R0.1 NC=N AC510902 [2,0,0,0,0,0|1,0,1]=4 56 B2R0.1 [CH2-]C=C LN00238817 [2,0,0,0,0,0|0,0,2]=4 57 B4R0.2 BrCCC#N AC130357 [1,1,0,0,0,0|0,0,1]=3 58 B4R0.2 CNCC#N AC180278 [1,1,0,0,0,0|0,0,1]=3 59 B4R0.2 NCCC#N AC130167 [1,1,0,0,0,0|0,0,1]=3 60 B4R0.2 OCCC#C AC180055 [1,1,0,0,0,0|1,0,1]=4 61 B4R0.2 OCCC#N AC130358 [1,1,0,0,0,0|0,0,1]=3 62 B4R0.3 CS(=O)(=S)[O-] LN01307937 [1,1,0,0,0,0|2,0,0]=4 63 B4R0.3 CS(C)(=N)=O AC051108 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.1 CCOC(=O)CI AC131813 [0,2,0,0,0,0|1,0,1]=4 65 B6R0.1 CCOC(=O)CO AC130521 [0,2,0,0,0,0|1,0,1]=4 66 B6R0.1 CCOC(=O)CS AC130132 [0,2,0,0,0,0|1,0,1]=4 67 B6R0.1 COC(=O)CCBr AC511067 [0,2,0,0,0,0|1,0,1]=4 68 B6R0.1 COC(=O)CCN AC510724 [0,2,0,0,0,0|0,0,2]=4 69 B6R0.1 NNC(=O)CC#N AC130190 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.1 NNC(=O)CC#N HY-B0994 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.1 OC(CCl)CC#N AC130343 [0,2,0,0,0,0|0,0,2]=4 72 B6R0.3 CCC(=O)N(C)C AC130337 [0,2,0,0,0,0|1,0,1]=4 73 B6R0.3 CN(C)C(=O)CBr AC511120 [0,2,0,0,0,0|1,0,1]=4 74 B6R0.3 CN(C)C(=O)CN AC190042 [0,2,0,0,0,0|0,0,2]=4 75 B6R0.3 COC(=O)C(C)C AC130130 [0,2,0,0,0,0|1,0,1]=4 76 B6R0.3 COC(=O)[C@@H](C)N AC511504 [0,2,0,0,0,0|0,0,2]=4 77 B6R0.3 COC(=O)[C@H](C)N AC500273 [0,2,0,0,0,0|0,0,2]=4 78 B6R0.3 CON(C)C(C)=O AC130053 [0,2,0,0,0,0|2,0,0]=4 79 B6R0.3 OC(=O)C(=O)CBr HY-19992 [0,2,0,0,0,0|1,0,1]=4 80 B6R0.4 CC(=O)CCCCl AC511746 [0,2,0,0,0,0|1,0,1]=4 81 B6R0.4 CC(=O)OCCBr AC511000 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.4 OC(=O)CCC#C AC510868 [0,2,0,0,0,0|2,0,0]=4 83 B6R0.4 OC(=O)CCC#N AC512077 [0,2,0,0,0,0|1,0,0]=3 84 B6R0.4 [O-]C(=O)CCC#C HY-15286 [0,2,0,0,0,0|2,0,0]=4 85 B6R0.8 CCC(C)(N)C#N AC182467 [0,2,0,0,0,0|1,0,1]=4 86 B6R1.2 C1CSCC1=O LN00009539 [0,1,0,1,0,0|1,0,1]=4 87 B6R1.2 O=C1CC=NN1 AC250038 [0,1,0,1,0,0|1,0,1]=4 88 B6R1.2 O=C1CCNC1 AC220156 [0,1,0,1,0,0|0,0,2]=4 89 B6R1.2 O=C1CCNC1 AC511910 [0,1,0,1,0,0|0,0,2]=4 90 B6R1.2 O=C1CCNN1 AC130160 [0,1,0,1,0,0|1,0,1]=4 91 B6R1.2 O=C1CCOC1 AC220014 [0,1,0,1,0,0|1,0,1]=4 92 B6R1.2 O=C1NCCO1 AC510795 [0,1,0,1,0,0|2,0,0]=4 93 B6R1.7 NC1(CC1)C#N AC181793 [0,1,0,1,0,0|1,0,1]=4