0 B12R2.252 OC(=O)C1=CC2=C(CSC2)S1 AC290040 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.35 N[C@H](CC1=CC=CS1)C(O)=O AC021680 [0,0,1,0,0,0|2,0,1]=4 2 B13R2.430 C1=CN2C=C(C=NC2=N1)C(=O)O LN02021247 [0,0,0,0,0,1|2,0,1]=4 3 B13R2.430 C1=CN=C2C1=CC(=CN2)B(O)O LN00170808 [0,0,0,0,0,1|2,0,1]=4 4 B13R2.430 OC(=O)C1=CC2=C(NC=C2)C=C1 AC180108 [0,0,0,0,0,1|2,0,0]=3 5 B13R2.430 OC(=O)C1=CC2=C(NC=C2)N=C1 AC182241 [0,0,0,0,0,1|1,0,1]=3 6 B13R2.430 OC(=O)C1=CC=C2C=COC2=C1 AC051160 [0,0,0,0,0,1|1,1,0]=3 7 B13R2.430 OC(=O)C1=CC=C2N=CNC2=C1 AC180265 [0,0,0,0,0,1|3,0,0]=4 8 B13R2.430 OC(=O)C1=CC=C2N=COC2=C1 AC050384 [0,0,0,0,0,1|2,1,0]=4 9 B13R2.430 OC(=O)C1=CC=C2SC=CC2=C1 AC050451 [0,0,0,0,0,1|1,0,0]=2 10 B13R2.430 OC(=O)C1=CC=C2SC=NC2=C1 AC182044 [0,0,0,0,0,1|2,0,0]=3 11 B13R2.435 C1=CC=C2C(=C1)C=C(C(=O)O)N2 LN00120299 [0,0,0,0,0,1|1,0,0]=2 12 B13R2.435 C1=CC=C2C(=C1)C=C(C(=O)O)S2 LN00173657 [0,0,0,0,0,1|2,0,0]=3 13 B13R2.435 C1=CN=CC2=C1NC(=C2)C(=O)O LN00174105 [0,0,0,0,0,1|1,0,0]=2 14 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 AC180671 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.435 NC(=O)C1=NC2=CC=CC=C2N1 AC181913 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.435 OC(=O)C1=CC2=C(N1)C=CC=C2 AC021645 [0,0,0,0,0,1|1,0,0]=2 17 B13R2.435 OC(=O)C1=CC2=C(N1)C=CN=C2 AC050660 [0,0,0,0,0,1|1,0,0]=2 18 B13R2.435 OC(=O)C1=CC2=C(O1)C=CC=C2 AC131511 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.435 OC(=O)C1=CC2=CC=CN=C2N1 AC182020 [0,0,0,0,0,1|1,0,0]=2 20 B13R2.435 OC(=O)C1=CN2C=CN=CC2=N1 AC182302 [0,0,0,0,0,1|2,0,1]=4 21 B13R2.435 OC(=O)C1=NC2=CC=CC=C2N1 AC181092 [0,0,0,0,0,1|2,0,0]=3 22 B13R2.435 OC(=O)C1=NC2=CC=CC=C2S1 AC511203 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.435 OC(=O)C1CC2=C(N1)C=CC=C2 AC021667 [0,0,0,0,0,1|1,0,2]=4 24 B13R2.435 OC(=O)[C@@H]1CC2=CC=CC=C2N1 AC021644 [0,0,0,0,0,1|1,0,2]=4 25 B10R1.66 OC(=O)/C=C/C1=NC=CS1 AC050975 [1,0,1,0,0,0|2,0,0]=4 26 B10R1.31 OC(=O)C1=CC=C(O1)C=O AC511250 [1,0,1,0,0,0|2,0,0]=4 27 B10R1.58 CC1=C(C)C=C(N1)C(O)=O AC051119 [1,0,1,0,0,0|0,0,2]=4 28 B14R2.601 CC1=NC2=CC(=CC=C2S1)C(O)=O AC512156 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.601 OC(=O)C1=CC=C2N=C(Cl)SC2=C1 AC500001 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.966 COC(=O)C1=CC2=C(NC=C2)C=C1 AC180782 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.966 COC(=O)C1=CN=C2NC=CC2=C1 AC200078 [0,1,0,0,0,1|1,0,1]=4 32 B14R2.5998 OC(=O)C1=C(Cl)C2=C(NC=C2)N=C1 AC020290 [0,1,0,0,0,1|1,0,1]=4 33 B14R2.450 CN1C(=CC2=C1C=CC=C2)C(O)=O AC510669 [0,1,0,0,0,1|1,0,0]=3 34 B14R2.972 COC(=O)C1=CC2=C(N1)C=CC=C2 AC021668 [0,1,0,0,0,1|1,0,0]=3 35 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 AC182359 [0,1,0,0,0,1|1,0,0]=3 36 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 LN00339001 [0,1,0,0,0,1|2,0,0]=4 37 B14R2.4529 CC1=CC=C2NC(=CC2=C1)C(O)=O AC500161 [0,1,0,0,0,1|1,0,0]=3 38 B14R2.4529 OC(=O)C1=CC2=C(N1)C=C(Cl)N=C2 AC050659 [0,1,0,0,0,1|1,0,0]=3 39 B14R2.4529 OC(=O)C1=CC2=C(N1)C=CC(Cl)=C2 AC500104 [0,1,0,0,0,1|1,0,0]=3 40 B14R2.4529 OC(=O)C1=CC2=CC=C(Br)C=C2N1 AC130084 [0,1,0,0,0,1|1,0,0]=3 41 B14R2.4529 OC(=O)C1=CC2=CC=C(F)C=C2N1 AC160384 [0,1,0,0,0,1|1,0,0]=3 42 B14R2.4529 OC(=O)C1=NC2=CC(Br)=CC=C2N1 AC050536 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.7969 OC(=O)C1=CC2=C(S1)C(Br)=CC=C2 AC020036 [0,1,0,0,0,1|2,0,0]=4 44 B14R2.7969 OC(=O)C1=CC2=C(S1)C(Cl)=CC=C2 AC020118 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.839 CCOC(=O)C1=CC2=C(N1)C=CS2 AC512101 [0,2,0,0,0,0|2,0,0]=4 46 B10R1.23 NC(C(O)=O)C1=CSC=C1 AC180641 [0,0,1,0,1,0|0,0,1]=3 47 B12R1.43 C/C(=C\C1=CC=CC=C1)C(O)=O AC100076 [0,0,1,0,0,1|2,0,0]=4 48 B12R1.226 CC1=CC=CC(/C=C/C(O)=O)=C1 AC021437 [0,0,1,0,0,1|2,0,0]=4 49 B12R1.226 OC(=O)/C=C/C1=CC(F)=CC=C1 AC180077 [0,0,1,0,0,1|2,0,0]=4 50 B12R2.32 O=CC1=CC2=CC=CC=C2O1 AC510210 [1,0,0,0,0,1|2,0,0]=4 51 B12R2.32 O=CC1=CC2=CC=CC=C2S1 AC500105 [1,0,0,0,0,1|2,0,0]=4 52 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O LN00115451 [1,0,0,0,0,1|2,0,0]=4 53 B12R2.44 O=CC1=CC2=C(NC=C2)C=C1 AC070127 [1,0,0,0,0,1|2,0,0]=4 54 B14R2.781 C1=CC(=CC2=CN=CC=C12)C(=O)O LN01330934 [0,0,0,0,0,2|2,0,0]=4 55 B14R2.781 OC(=O)C1=CC2=CC=CC=C2N=C1 AC510915 [0,0,0,0,0,2|1,0,1]=4 56 B14R2.781 OC(=O)C1=CC=C2C=CC=CC2=C1 AC500130 [0,0,0,0,0,2|2,0,0]=4 57 B14R2.781 OC(=O)C1=CC=C2C=NC=CC2=C1 AC182524 [0,0,0,0,0,2|2,0,0]=4 58 B14R2.781 OC(=O)C1=CC=C2N=CC=NC2=C1 AC190083 [0,0,0,0,0,2|2,0,0]=4 59 B14R2.781 OC(=O)C1=NC2=C(C=CC=C2)C=C1 AC180176 [0,0,0,0,0,2|1,0,1]=4 60 B14R2.781 OC(=O)C1=NC2=CC=CC=C2N=C1 AC180275 [0,0,0,0,0,2|1,0,1]=4 61 B14R2.781 OC(=O)C1=NC=C2C=CC=CC2=C1 AC190093 [0,0,0,0,0,2|1,0,1]=4