0 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C12 AK-90073 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.12159 O=C1C2=CC=CC=C2S(S1)(=O)=O AK113935 [0,0,0,0,0,0|1,0,0]=1 2 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=N2 AK-80617 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.2028 N=C1NC(C2=C1C=CC=C2)=N AK117363 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.2028 O=C1C2=C(C=CC=C2)C([N-]1)=O AK-98651 [1,0,0,0,0,0|1,0,1]=3 6 B12R2.2028 O=C1CC(C2=C1C=CC=C2)=O AK307475 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.2028 O=C1NC(C2=NC=CC=C21)=O AK-44366 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.2028 O=C1NC(N)C2=C1C=CC=C2 AK158160 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.2028 O=C1NC(O)C2=NC=CC=C21 AK146257 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 AK155423 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 AK-41089 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.2028 O=C1OC(C2=CC=CN=C12)=O AK-44064 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [1,0,0,0,0,0|2,0,1]=4 14 B14R2.8732 O=C1C2=CC=C(Br)C=C2S(N1)(=O)=O AK165879 [0,1,0,0,0,0|0,0,0]=1 15 B14R2.57380 O=C1C2=CC=CC=C2S(N1C)(=O)=O AK121869 [0,1,0,0,0,0|0,0,0]=1 16 B14R2.57380 O=C1C2=CC=CC=C2S(N1Cl)(=O)=O AK313696 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.39 O=S(C1=CC=CC=C1)(OCC)=O AK129066 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.76 O=S(C1=CC=CC=C1C=O)([O-])=O AK192542 [0,0,1,0,0,0|1,0,0]=2 19 B12R1.76 O=S(C1=CC=CC=C1OC)(Cl)=O AK-45769 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.261 C1=CC=CC(=C1C(C)=O)[N+](=O)[O-] AK-54010 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.261 O=C(N)C1=CC=CC=C1C(N)=O AK126469 [0,0,1,0,0,0|2,0,0]=3 24 B12R1.261 O=C(O)C1=CC=CC=C1[N+]([O-])=O AK-49895 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.7 O=S(C1=CC=CC=C1)(C=C)=O AK-47603 [1,0,1,0,0,0|1,0,0]=3 26 B11R1.7 O=S(C1=CC=CC=C1)(CCl)=O AK116676 [1,0,1,0,0,0|1,0,1]=4 27 B11R1.53 C1=CC=CC(=C1C=O)C(O)=O AK-46701 [1,0,1,0,0,0|1,0,1]=4 28 B11R1.53 O=CC1=CC=CC=C1N(=O)=O AK-49899 [1,0,1,0,0,0|1,0,0]=3 29 B11R1.87 C1(=CC=CC=C1[S](=O)(=O)O)C AK-37104 [1,0,1,0,0,0|1,0,1]=4 30 B11R1.87 CC1=CC=CN=C1S(N)(=O)=O AK-89406 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.87 NC1=C(C=CC=C1)S(O)(=O)=O AK-53459 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CN=C1 AK-29171 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.87 NS(=O)(=O)C1=C(F)C=CC=C1 AK-87258 [1,0,1,0,0,0|1,0,0]=3 34 B11R1.87 O=S(C1=CC=CC=C1C)(O)=O AK305179 [1,0,1,0,0,0|1,0,1]=4 35 B11R1.87 O=S(C1=CC=CC=C1F)(Cl)=O AK-51787 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.87 O=S(C1=CC=CC=C1N)(Cl)=O AK146260 [1,0,1,0,0,0|2,0,0]=4 37 B11R2.1 C1=CC=CC2=C([NH]N=C12)Cl AK-25715 [2,0,0,0,0,0|2,0,0]=4 38 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [2,0,0,0,0,0|2,0,0]=4 39 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [2,0,0,0,0,0|1,1,0]=4 40 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [2,0,0,0,0,0|1,0,1]=4 41 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [2,0,0,0,0,0|1,0,0]=3 42 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [2,0,0,0,0,0|2,0,0]=4 43 B11R2.1 O=C1NCC2=C1C=CN=C2 AK173131 [2,0,0,0,0,0|2,0,0]=4 44 B11R2.1 O=C1NNC2=C1C=CC=N2 AK-30879 [2,0,0,0,0,0|2,0,0]=4 45 B11R2.1 O=C1NNC2=C1C=CN=C2 AK100133 [2,0,0,0,0,0|2,0,0]=4 46 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [2,0,0,0,0,0|2,0,0]=4 47 B13R1.122 N#C\C=C\S(=O)(C1=CC=CC=C1)=O AK544677 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 AK102431 [0,1,1,0,0,0|1,0,1]=4 49 B13R1.349 O=C(O)C1=CC=CC=C1S(=O)(O)=O AK305626 [0,1,1,0,0,0|1,0,0]=3 50 B13R1.349 O=S(C1=CC=CC=C1[N+]([O-])=O)(N)=O AK-44785 [0,1,1,0,0,0|1,0,0]=3 51 B13R1.352 O=C(C1=CC=CC=C1)CS(=O)([O-])=O AK550038 [0,1,1,0,0,0|1,0,0]=3 52 B13R1.165 O=C(N)C1=CC(F)=CC=C1[N+]([O-])=O AK167212 [0,1,1,0,0,0|1,0,1]=4 53 B13R2.3085 CN1C(=O)C2=C(C=CC=C2)C1=O AK-81927 [1,1,0,0,0,0|1,0,0]=3 54 B13R2.3085 O=C1C(=O)C2=C(C=CC=C2)C1=O AK-76989 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.3085 O=C1N(Cl)C(C2=C1C=CC=C2)=O AK105877 [1,1,0,0,0,0|1,0,0]=3 56 B13R2.3085 O=C1N(N)C(C2=C1C=CC=C2)=O AK-86251 [1,1,0,0,0,0|1,0,0]=3 57 B13R2.3085 O=C1N(O)C(C2=CC=CC=C12)=O AK-47868 [1,1,0,0,0,0|1,0,0]=3 58 B13R2.4857 O=C1NC(C2=C1C=CC=C2Br)=O AK-50418 [1,1,0,0,0,0|1,0,0]=3 59 B13R2.4857 O=C1NC(C2=C1C=CC=C2N)=O AK-78809 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.4857 OC1=C2C(=O)OC(=O)C2=CC=C1 AK-80295 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O AK-75678 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.5187 ClC1=CC2=C(C=C1)C(=O)NC2=O AK-54048 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.5187 O=C1NC(C2=C1C=CC(Br)=C2)=O AK-76620 [1,1,0,0,0,0|1,0,0]=3 64 B13R2.5187 O=C1NC(C2=C1C=CC(N)=C2)=O AK116753 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.5187 O=C1NC(C2=C1C=CC(O)=C2)=O AK135321 [1,1,0,0,0,0|1,0,0]=3 66 B13R2.5187 O=C1OC(C2=C1C=CC(Br)=C2)=O AK-76808 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.5187 O=C1OC(C2=C1C=CC(O)=C2)=O AK153929 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.3791 NC1=CC=C2C=CS(=O)(=O)C2=C1 AK129175 [1,1,0,0,0,0|1,0,0]=3 69 B15R2.13973 O=S1(C2=C(NC(C)N1)C=CC(Cl)=C2)=O AK326156 [0,1,0,0,0,1|1,0,1]=4 70 B13R2.328 C1=CC=CC2=C1C(NC(C2)=O)=O AK-24472 [0,0,1,1,0,0|2,0,0]=4 71 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 AK-55016 [0,0,1,1,0,0|1,0,1]=4 72 B13R2.328 O=C1NC(C2=C(N1)C=CC=C2)=O AK-26998 [0,0,1,1,0,0|2,0,0]=4 73 B13R2.371 O=C1NCC(C2=C1C=CC=C2)=O AK157604 [0,0,1,1,0,0|2,0,0]=4 74 B13R2.371 O=C1NNC(C2=C1C=CC=C2)=O AK113128 [0,0,1,1,0,0|2,0,0]=4 75 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,0,1,0,1,0|2,0,0]=4 76 B13R1.45 O=C(O)CNC(C1=CC=CC=C1)=O AK-42216 [0,0,1,0,0,1|1,0,1]=4