0 B15R2.2195 C(=C/C1=CC=NC=C1)\C2=CC=NC=C2 LN00236919 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.2195 C1=CC(=CC=N1)C#CC2=CC=NC=C2 AC360016 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.2195 C1=CC=C(C=C1)/N=N/C2=CC=CC=C2 HY-B2127 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.2195 S(SC1=NC=CC=C1)C2=NC=CC=C2 AC510692 [0,0,0,0,0,0|2,0,0]=2 4 B16R2.71 IC1=C(OCC2=CC=CC=C2)C=CC=C1 AC020190 [0,1,0,0,0,0|1,1,0]=3 5 B16R2.71 NC1=CC=CC=C1NCC2=CC=CC=C2 AC021578 [0,1,0,0,0,0|2,0,0]=3 6 B16R2.71 NC1=NC=CC=C1OCC2=CC=CC=C2 AC020854 [0,1,0,0,0,0|2,1,0]=4 7 B16R2.71 OC1=CC=CC=C1NCC2=NC=CC=C2 HY-18292 [0,1,0,0,0,0|3,0,0]=4 8 B16R2.132 BrC1=CC=C(OCC2=CC=CC=C2)C=C1 AC130303 [0,1,0,0,0,0|1,1,0]=3 9 B16R2.132 BrC1=CC=C(OCC2=CC=CC=C2)N=C1 AC511240 [0,1,0,0,0,0|2,1,0]=4 10 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 AC511187 [0,1,0,0,0,0|1,1,0]=3 11 B16R2.132 [O-][N+]1=CC=C(OCC2=CC=CC=C2)C=C1 AC130208 [0,1,0,0,0,0|2,1,0]=4 12 B16R2.252 BrC1=CC=CC(OCC2=CC=CC=C2)=C1 AC190263 [0,1,0,0,0,0|1,1,0]=3 13 B16R2.252 BrC1=CN=CC(OCC2=CC=CC=C2)=C1 AC182129 [0,1,0,0,0,0|2,1,0]=4 14 B16R2.252 CC1=NC(=CC=C1)C#CC2=CC=CC=C2 HY-14609 [0,1,0,0,0,0|3,0,0]=4 15 B16R2.252 CC1=NC(=CC=C1)C#CC2=CC=CC=C2 HY-14609A [0,1,0,0,0,0|3,0,0]=4 16 B16R2.252 NC1=CC=CC(OCC2=CC=CC=C2)=C1 AC180215 [0,1,0,0,0,0|1,1,0]=3 17 B16R2.252 NC1=NC=CC(OCC2=CC=CC=C2)=C1 AC182696 [0,1,0,0,0,0|2,1,0]=4 18 B16R2.252 OC1=NC=CC(OCC2=CC=CC=C2)=C1 AC020500 [0,1,0,0,0,0|2,1,0]=4 19 B16R3.9 C1=CC2=C(C=C1)C3=NC=CC=C3C=C2 AC511116 [0,0,0,1,0,0|3,0,0]=4 20 B16R3.9 C1=CC=C2C(=C1)C=CC3=C2N=CC=C3 LN00225340 [0,0,0,1,0,0|3,0,0]=4 21 B14R2.6 [I+](C1=CC=CC=C1)C2=CC=CC=C2 AC510921 [0,0,0,0,1,0|1,0,0]=2 22 B15R2.29 BrC1=CC=[N+](CC2=CC=CC=C2)C=C1 AC160688 [0,1,0,0,1,0|2,0,0]=4 23 B15R2.29 NC1=CC=C(OC2=CC=NC=C2)C=C1 AC020502 [0,1,0,0,1,0|1,1,0]=4 24 B15R2.29 OC1=CC=C(OC2=CC=CC=C2)C=C1 AC190313 [0,1,0,0,1,0|0,1,0]=3 25 B15R2.31 BrC1=CC=C[N+](CC2=CC=CC=C2)=C1 AC160687 [0,1,0,0,1,0|2,0,0]=4 26 B15R2.38 BrC1=CC=CC=C1CC2=CC=CC=C2 AC190297 [0,1,0,0,1,0|1,0,0]=3 27 B15R2.38 BrC1=CC=CC=C1OC2=CC=CC=C2 AC511920 [0,1,0,0,1,0|0,1,0]=3 28 B15R2.2226 BrC(C1=CC=CC=C1)C2=CC=CC=C2 AC190170 [0,1,0,0,1,0|1,0,0]=3 29 B15R2.2226 C1=CC=C(C=C1)P(=O)C2=CC=CC=C2 LN00192733 [0,1,0,0,1,0|1,0,0]=3 30 B15R2.2226 C=C(C1=CC=CC=C1)C2=CC=CC=C2 AC220176 [0,1,0,0,1,0|1,0,0]=3 31 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 AC130563 [0,1,0,0,1,0|1,0,0]=3 32 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 AC190173 [0,1,0,0,1,0|1,0,0]=3 33 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 AC190180 [0,1,0,0,1,0|1,0,0]=3 34 B17R2.2342 CC(CCC1=CC=CC=C1)C2=CC=CC=C2 AC220171 [0,1,0,0,0,1|2,0,0]=4 35 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2 HY-B0935 [0,1,0,0,0,1|1,1,0]=4 36 B17R2.3417 ClC1=CC=CC=C1C(=O)NC2=CC=CC=C2 AC050624 [0,2,0,0,0,0|2,0,0]=4 37 B17R2.5360 OC1=CC=C(OCC2=CC=CC=C2)C(Br)=C1 AC270014 [0,2,0,0,0,0|1,1,0]=4 38 B17R2.5365 FC1=CC=C(Br)C(OCC2=CC=CC=C2)=C1 AC021022 [0,2,0,0,0,0|1,1,0]=4 39 B17R2.10205 C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)N)N LN00173660 [0,2,0,0,0,0|2,0,0]=4 40 B17R2.10205 C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)O)O LN00173443 [0,2,0,0,0,0|2,0,0]=4 41 B17R2.10205 C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)O)N LN00174009 [0,2,0,0,0,0|2,0,0]=4 42 B17R2.10205 N[C@@H]([C@@H](O)C1=CC=CC=C1)C2=CC=CC=C2 AC021074 [0,2,0,0,0,0|2,0,0]=4 43 B17R2.10205 N[C@@H]([C@H](N)C1=CC=CC=C1)C2=CC=CC=C2 AC180653 [0,2,0,0,0,0|2,0,0]=4 44 B17R2.10205 N[C@H]([C@@H](N)C1=CC=CC=C1)C2=CC=CC=C2 AC500294 [0,2,0,0,0,0|2,0,0]=4 45 B17R2.10205 N[C@H]([C@H](O)C1=CC=CC=C1)C2=CC=CC=C2 AC511614 [0,2,0,0,0,0|2,0,0]=4 46 B17R2.10205 O[C@@H]([C@@H](O)C1=CC=CC=C1)C2=CC=CC=C2 AC020779 [0,2,0,0,0,0|2,0,0]=4 47 B17R2.48 O=CC1=CC=C(C=C1)C#CC2=CC=CC=C2 AC180699 [0,2,0,0,0,0|2,0,0]=4 48 B17R2.48 O=CC1=CC=C(OCC2=CC=CC=C2)C=C1 AC511697 [0,2,0,0,0,0|1,1,0]=4 49 B17R2.193 OC1=CC=C(OCC2=CC=CC=C2)C=C1Br AC051137 [0,2,0,0,0,0|1,1,0]=4 50 B17R2.207 BrC1=CC=C(C=C1)C#CC2=CC=C(Br)C=C2 AC511855 [0,2,0,0,0,0|2,0,0]=4 51 B17R2.207 OC1=CC=C(C=C1)/N=N/C2=CC=C(O)C=C2 AC310153 [0,2,0,0,0,0|2,0,0]=4 52 B15R3.3 S1C2=CC=CC=C2C3=CC=CC=C13 HY-B0973 [0,0,0,1,1,0|0,0,0]=2 53 B17R3.8708 N1C(=CC2=CC=CC=C12)C3=CC=CC=C3 AC511819 [0,1,0,1,0,0|2,0,0]=4 54 B17R3.54615 C1=CC=C2C(=C1)C3=CC=CC=C3N=C2O LN00175390 [0,1,0,1,0,0|2,0,0]=4 55 B17R3.54615 ClC1=C2C=CC=CC2=C3C=CC=CC3=N1 AC310122 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=N2 AC511005 [0,0,0,0,2,0|1,0,0]=3 57 B13R2.3 C1=CC=C(C=C1)C2=CC=NC=C2 LN00144929 [0,0,0,0,2,0|1,0,0]=3 58 B13R2.3 C1=CC=C([C]=C1)C2=CC=CC=N2 LN01745295 [0,0,0,0,2,0|1,0,1]=4 59 B13R2.3 C1=CC=NC(=C1)C2=CN=CC=C2 LN00203300 [0,0,0,0,2,0|2,0,0]=4