0 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=C2 8H69-1-8P [0,0,0,0,0,0|0,0,0]=0 1 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 P311-A-50 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.12159 O=C1SS(=O)(=O)C2=CC=CC=C12 6H64-1-10 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 2618-1-X0 [1,0,0,0,0,0|2,0,0]=3 4 B12R2.2028 O=C1NC(=O)C2=CN=CC=C12 4H48-1-M0 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 4H26-1-X1 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 2H26-1-01 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 4648-1-02 [1,0,0,0,0,0|1,0,1]=3 8 B12R2.2403 O=S1(=O)C=CC2=CC=CC=C21 6H63-1-06 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 6663-5-Y2 [0,0,1,0,0,0|2,0,1]=4 10 B12R1.76 N#CC1=C(S(N)(=O)=O)C=CC=C1 8669-1-02 [0,0,1,0,0,0|1,0,1]=3 11 B12R1.76 N#CC1=CC=CC=C1S(=O)(=O)Cl 8662-5-X0 [0,0,1,0,0,0|2,0,1]=4 12 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 2618-1-X5 [0,0,1,0,0,0|3,0,0]=4 13 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 8669-1-W3 [0,0,1,0,0,0|2,1,0]=4 14 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 4654-1-AQ [0,0,1,0,0,0|2,0,1]=4 15 B12R1.261 CC(=O)C1=CC=CC=C1[N+](=O)[O-] 4654-1-Z6 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.261 NC(=O)C1=CC=CC=C1B(O)O 8660-1-Z1 [0,0,1,0,0,0|1,0,2]=4 17 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O 4648-1-18 [0,0,1,0,0,0|1,0,1]=3 18 B12R1.261 O=C(O)C1=C(C(=O)O)C=CC=C1 2621-1-12 [0,0,1,0,0,0|2,0,1]=4 19 B14R2.29496 O=C1CS(=O)(=O)OC2=C1C=CC=C2 6H64-1-X2 [0,0,0,0,0,1|1,0,0]=2 20 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 6663-1-20 [1,0,1,0,0,0|1,0,0]=3 21 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 6663-1-X5 [1,0,1,0,0,0|1,0,1]=4 22 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 6663-1-Y2 [1,0,1,0,0,0|1,0,1]=4 23 B11R1.53 CC(=O)C1=C(C=O)C=CC=C1 2617-1-2P [1,0,1,0,0,0|2,0,0]=4 24 B11R1.53 CNC1=CC=CC=C1C(N)=O 4648-1-15 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.53 COC1=CC=CC=C1C(N)=O 4648-1-14 [1,0,1,0,0,0|1,1,0]=4 26 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] 4654-1-Y9 [1,0,1,0,0,0|1,0,1]=4 27 B11R1.53 O=[IH2]C1=CC=CC=C1C(=O)O 2621-H-X8 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.87 CC1=CC=CC=C1S(=O)(=O)Cl 6762-5-Z2 [1,0,1,0,0,0|1,0,1]=4 29 B11R1.87 CC1=CC=CC=C1S(N)(=O)=O 8769-1-X0 [1,0,1,0,0,0|0,0,1]=3 30 B11R1.87 CS(=O)(=O)C1=C(F)C=CC=C1 6663-3-X3 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.87 CS(=O)(=O)C1=CC=CC=C1Br 6663-9-X1 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.87 CS(=O)(=O)C1=CC=CC=C1Cl 6663-5-Y0 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.87 CS(=O)(=O)C1=CC=CC=C1N 8663-1-X0 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.87 CS(=O)(=O)C1=CC=CC=C1N 8663-5-X6 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O 6663-1-X1 [1,0,1,0,0,0|1,0,1]=4 36 B11R1.87 NC1=CC=CC=C1S(N)(=O)=O 8669-1-X3 [1,0,1,0,0,0|1,0,0]=3 37 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CC=C1 8669-5-02 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.87 NS(=O)(=O)C1=C(F)C=CC=C1 8669-3-X0 [1,0,1,0,0,0|1,0,0]=3 39 B11R1.87 NS(=O)(=O)C1=CC=CC=C1Br 8669-9-02 [1,0,1,0,0,0|1,0,0]=3 40 B11R1.87 NS(=O)(=O)C1=CN=CC=C1Cl 8H69-5-17 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.87 O=S(=O)(Cl)C1=C(Cl)C=CC=C1 6662-5-02 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.87 O=S(=O)(Cl)C1=C(F)C=CC=C1 6662-7-02 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.87 O=S(=O)(Cl)C1=C(I)C=CC=C1 6662-M-X3 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.87 O=S(=O)(O)C1=C(I)C=CC=C1 6664-H-X0 [1,0,1,0,0,0|2,0,0]=4 45 B11R2.1 O=C1CCC2=C1C=CC=C2 2717-1-01 [2,0,0,0,0,0|2,0,0]=4 46 B11R2.1 O=C1COC2=CC=CC=C12 2H17-1-X3 [2,0,0,0,0,0|1,1,0]=4 47 B11R2.1 O=C1NCC2=CC=CC=C12 4H48-1-13 [2,0,0,0,0,0|1,0,0]=3 48 B11R2.1 O=C1NSC2=C1C=CC=C2 8H70-1-6E [2,0,0,0,0,0|0,0,1]=3 49 B13R1.29 CC1=CC=C(S(=O)(=O)N=C=O)C=C1 8749-1-01 [0,1,1,0,0,0|0,0,2]=4 50 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 6663-1-X6 [0,1,1,0,0,0|1,0,0]=3 51 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 6663-1-02 [0,1,1,0,0,0|1,0,0]=3 52 B13R1.349 CS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] 8663-1-Y2 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.349 NS(=O)(=O)C1=C([N+](=O)[O-])C=CC=C1 8669-1-W5 [0,1,1,0,0,0|1,0,0]=3 54 B13R1.349 O=[N+]([O-])C1=C(S(=O)(=O)Cl)C=CC=C1 8662-5-Y3 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.349 O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)F 8662-3-01 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.3090 COC1=CC=C(Br)C=C1S(N)(=O)=O 8669-9-X8 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.3090 CS(=O)(=O)C1=CC(Br)=CC=C1C=O 6663-9-X2 [0,1,1,0,0,0|1,0,0]=3 58 B13R1.165 NC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-] 4655-5-52 [0,1,1,0,0,0|1,0,1]=4 59 B13R1.547 NNC(=O)C1=CC=CC=C1[N+](=O)[O-] 4646-1-01 [0,1,1,0,0,0|1,0,1]=4 60 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O 4H48-1-71 [1,1,0,0,0,0|1,0,0]=3 61 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O 4H39-1-41 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.3085 O=C1C2=CC=CC=C2C(=O)C1Br 2718-9-01 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 4H56-1-01 [1,1,0,0,0,0|1,0,0]=3 64 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2Br 2H26-9-03 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2Cl 2626-5-X0 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2F 2H26-3-05 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2I 2H26-H-00 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O 2H26-1-33 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.5187 NC1=CC=C2C(=O)NC(=O)C2=C1 4H30-1-0D [1,1,0,0,0,0|1,0,0]=3 70 B13R2.5187 O=C1NC(=O)C2=CC(Br)=CC=C12 4H18-9-25 [1,1,0,0,0,0|1,0,0]=3 71 B13R2.5187 O=C1OC(=O)C2=C1C=CC(F)=C2 2H26-3-14 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 2H26-9-X0 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.3791 NC1=CC=C2C=CS(=O)(=O)C2=C1 8H63-1-0X [1,1,0,0,0,0|1,0,0]=3 74 B15R2.7494 O=C1CCS(=O)(=O)C2=CC=C(Cl)C=C12 6H63-5-19 [0,1,0,0,0,1|1,0,0]=3 75 B15R2.13861 CN1C2=CC=CC=C2C(=O)CS1(=O)=O 8H70-1-P3 [0,1,0,0,0,1|1,0,0]=3 76 B15R2.202 O=CN1C(=O)C2=CC=CC=C2S1(=O)=O 8H69-1-7T [0,2,0,0,0,0|0,0,0]=2 77 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 4648-1-03 [0,0,1,0,0,1|1,0,1]=4