0 B8R1.18 CN1N=C(Br)C=C1C AC511912 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 BrC1=CC=C(Br)O1 AC060039 [1,0,0,0,0,0|2,0,1]=4 2 B7R1.2 CC1=CC(=CS1)Br LN00009283 [1,0,0,0,0,0|1,1,1]=4 3 B7R1.2 CC1=CC(=NN1)Br LN00003238 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.2 CC1=CC(Br)=CS1 AC181846 [1,0,0,0,0,0|1,1,1]=4 5 B7R1.2 CC1=CC(Br)=NO1 AC512084 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.2 CC1=CC(N)=NN1 AC180618 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.2 CC1=CN=C(C)N1 LN00227182 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.2 CC1=CN=C(C)S1 AC180738 [1,0,0,0,0,0|1,1,1]=4 9 B7R1.2 CC1=NOC(N)=C1 AC020889 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.2 CC1=NSC(N)=C1 AC021204 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 CN1C=CC(Br)=N1 AC040176 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 CN1C=CC(C)=N1 AC180405 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.2 CN1C=CC(Cl)=N1 AC040111 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 CN1C=CC(I)=N1 AC040177 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.2 CN1C=CC(N)=N1 AC021051 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 CN1C=CC(O)=N1 AC511151 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 O=C1CCC(=O)C1 AC170075 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.4 CC1=CC=NN1C LN00158842 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.4 CN1N=CC=C1Br AC511309 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.4 CN1N=CC=C1C AC181287 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.4 CN1N=CC=C1I AC190152 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.4 CN1N=CC=C1N AC180602 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.22 CC1=CC(C)=C(N1)C=O AC511604 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.22 CC1=NC(C)=C(N1)C=O AC020332 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.37 CN1N=C(C)C(Br)=C1C AC180518 [0,1,0,0,0,0|3,0,0]=4 26 B9R2.25 O=C1OC(=O)C2CC12 AC180715 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.15 [O-]C1=CC(=O)C1=O HY-101905 [0,0,0,0,1,0|2,0,1]=4 28 B9R1.34 CC1=CC(=O)NC(=S)N1 HY-B0513 [0,0,0,0,0,1|2,0,1]=4 29 B9R1.34 CC1=CC(Br)=CC(C)=N1 AC511718 [0,0,0,0,0,1|2,0,1]=4 30 B9R1.34 CC1=CC(Br)=NC(C)=C1 AC180648 [0,0,0,0,0,1|2,0,1]=4 31 B9R1.34 CC1=CC(C)=NC(C)=C1 AC500170 [0,0,0,0,0,1|2,0,1]=4 32 B9R1.34 CC1=CC(Cl)=CC(C)=N1 AC181289 [0,0,0,0,0,1|2,0,1]=4 33 B9R1.34 CC1=CC(Cl)=NC(C)=C1 AC182266 [0,0,0,0,0,1|2,0,1]=4 34 B9R1.34 CC1=CC(N)=CC(C)=C1 AC130026 [0,0,0,0,0,1|2,0,1]=4 35 B9R1.34 CC1=CC(N)=CC(C)=N1 AC130149 [0,0,0,0,0,1|2,0,1]=4 36 B9R1.34 CC1=CC(N)=NC(C)=C1 AC130158 [0,0,0,0,0,1|2,0,1]=4 37 B9R1.34 CC1=NC(C)=NC(Cl)=C1 AC180943 [0,0,0,0,0,1|2,0,1]=4 38 B9R1.69 CC1=CC(Br)=CNC1=O AC181670 [0,0,0,0,0,1|2,0,1]=4 39 B9R1.69 CC1=CC=C(Br)C(C)=N1 AC180956 [0,0,0,0,0,1|2,0,1]=4 40 B9R1.69 CC1=CN=C(Cl)C(C)=N1 AC180716 [0,0,0,0,0,1|2,0,1]=4 41 B9R1.69 CC1=CNC(=O)C(Br)=C1 AC181725 [0,0,0,0,0,1|2,0,1]=4 42 B9R1.69 CC1=NC(C)=C(N)C=C1 AC181294 [0,0,0,0,0,1|2,0,1]=4 43 B9R1.69 CC1CN(C)CCC1=O AC021166 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.69 CN1C=C(C=CC1=O)N LN00147152 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.69 CN1C=CC(=CC1=O)I LN02170210 [0,0,0,0,0,1|3,0,0]=4 46 B9R1.69 C[C@@H]1NC(=O)CNC1=O AC020921 [0,0,0,0,0,1|2,0,1]=4 47 B6R0.1 CCOC(=O)CO AC130521 [1,0,1,0,0,0|1,0,1]=4 48 B6R0.3 CCC(C)C(O)=O AC180050 [1,0,1,0,0,0|1,0,1]=4 49 B6R0.3 COC(=O)C(C)C AC130130 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.3 COC(=O)[C@@H](C)N AC511504 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.3 COC(=O)[C@H](C)N AC500273 [1,0,1,0,0,0|2,0,0]=4 52 B6R0.3 COC(C)C(O)=O AC511149 [1,0,1,0,0,0|1,0,0]=3 53 B6R0.3 CON(C)C(C)=O AC130053 [1,0,1,0,0,0|1,0,1]=4 54 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [1,0,1,0,0,0|1,0,0]=3 55 B6R1.2 BrC1=COC=C1 AC130126 [2,0,0,0,0,0|1,0,1]=4 56 B6R1.2 C1=CON=C1Br LN00190967 [2,0,0,0,0,0|2,0,0]=4 57 B6R1.2 CC1=CCCC1 AC220188 [2,0,0,0,0,0|1,0,1]=4 58 B6R1.2 CC1=NNC=C1 AC130325 [2,0,0,0,0,0|2,0,0]=4 59 B6R1.2 CN1C=CC=C1 AC130318 [2,0,0,0,0,0|2,0,0]=4 60 B6R1.2 O=C1CCOC1 AC220014 [2,0,0,0,0,0|0,0,2]=4 61 B8R0.5 CCOC(=O)C[C@@H](C)O AC180621 [0,1,1,0,0,0|0,0,2]=4 62 B8R0.23 C[C@H](NC(C)=O)C(O)=O AC190198 [0,1,1,0,0,0|2,0,0]=4 63 B8R0.23 C[C@H](OC(C)=O)C(O)=O AC020546 [0,1,1,0,0,0|1,0,0]=3 64 B8R0.1 CCOC(=O)/C=C/C=O AC511142 [0,1,1,0,0,0|1,0,0]=3 65 B8R1.1 CC1=NC(=CO1)C=O LN00169165 [1,1,0,0,0,0|1,0,1]=4 66 B8R1.1 CC1=NOC(CN)=C1 AC320008 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.1 COC1=CC(N)=NO1 AC182433 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.50 CC1=C(C)C(N)=NO1 AC181619 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.50 CC1=NOC(=C1Br)C LN00183856 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.51 C[Pt+2]1(C)[O-]CC(=O)[O-]1 HY-13700 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.11 CN1N=CC=C1C=O AC510711 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.8 CC1=CC(=CC(=C1)C=O)C LN00010194 [0,1,0,0,0,1|1,0,1]=4 73 B10R1.8 CC1=CC(C)=CC(C=O)=C1 AC180654 [0,1,0,0,0,1|1,0,1]=4 74 B10R1.329 CC1(C)OC(=O)CC(=O)O1 AC130352 [0,1,0,0,0,1|1,0,1]=4 75 B10R1.59 CN1N=C(C)C=C1C(O)=O AC180804 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.271 CN1C(=O)OC(C)(C)C1=O HY-A0092 [0,2,0,0,0,0|2,0,0]=4 77 B8R1.4 CC1CC(=O)CCO1 AC220032 [0,0,1,1,0,0|0,0,2]=4 78 B8R1.4 O=C1CCCC(=O)C1 AC510798 [0,0,1,1,0,0|0,0,2]=4 79 B8R1.7 OC(=O)C1CCCO1 AC511285 [0,0,1,1,0,0|1,0,1]=4 80 B8R1.7 OC(=O)[C@@H]1CCCO1 AC190278 [0,0,1,1,0,0|1,0,1]=4 81 B8R1.3 CC1=CNC(=O)C=C1 LN00005245 [1,0,0,0,0,1|1,0,1]=4 82 B8R1.3 CC1=NNC(=O)C=C1 AC180424 [1,0,0,0,0,1|2,0,0]=4