0 B13R2.12159 CC1(C)NC(=O)C2=CC=CC=C21 MC101955 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.12159 NC1=NS(=O)(=O)C2=C1C=CC=C2 MC427504 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.12159 O=C1NS(=O)(=O)C2=CN=CC=C12 MC114300 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.12159 O=C1NS(=O)(=O)C2=NC=CC=C12 MC114699 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.12159 O=S1(=O)NC(=S)C2=C1C=CC=C2 MC427294 [0,0,0,0,0,0|0,1,0]=1 5 B12R2.2028 N=C1NC(=N)C2=CC=CC=C12 CS20376 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 MC41774 [1,0,0,0,0,0|1,0,0]=2 8 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CS15659 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 CS11876 [1,0,0,0,0,0|1,0,1]=3 12 B14R2.4643 CC1(C)NC(=O)C2=CC(Br)=CC=C21 MC104093 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.4643 CC1(C)NC(=O)C2=CC(N)=CC=C21 MC104067 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.8732 CC1(C)NC(=O)C2=CC=C(Br)C=C21 MC105376 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.8732 CC1(C)NC(=O)C2=CC=C(O)C=C21 MC104066 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.76 N#CC1=C(S(=O)(=O)Cl)C=CC=C1 MC40373 [0,0,1,0,0,0|2,0,1]=4 17 B12R1.76 NCC1=C(S(N)(=O)=O)C=CC=C1 MC111638 [0,0,1,0,0,0|1,0,1]=3 18 B12R1.76 NNC1=C(S(N)(=O)=O)C=NC=C1 MC425099 [0,0,1,0,0,0|3,0,0]=4 19 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=C1 MC40221 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=C1 CS14872 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.261 NC(=O)C1=C(B(O)O)C=CC=C1 CS20359 [0,0,1,0,0,0|1,0,2]=4 24 B12R1.261 NC(=O)C1=C(C(=O)O)C=CC=N1 MC33455 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.261 O=C(O)C1=C(I(=O)=O)C=CC=C1 MC20686 [0,0,1,0,0,0|2,0,0]=3 26 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 CS21715 [0,0,1,0,0,0|2,0,1]=4 27 B14R2.29496 NC1CS(=O)(=O)Cc2ccccc21 MC100145 [0,0,0,0,0,1|2,0,1]=4 28 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 CS20936 [1,0,1,0,0,0|1,0,0]=3 29 B11R1.7 O=S(=O)(NF)C1=CC=CC=C1 MC426118 [1,0,1,0,0,0|1,0,0]=3 30 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 CS16759 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 CS13542 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.53 O=CC1=C([N+](=O)[O-])C=CC=C1 MC20421 [1,0,1,0,0,0|1,0,1]=4 33 B11R1.87 NC1=C(S(=O)(=O)O)C=CC=C1 MC40408 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.87 NC1=C(S(N)(=O)=O)C=CN=C1 MC431257 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.87 NS(=O)(=O)C1=C(Br)C=CC=C1 MC40401 [1,0,1,0,0,0|1,0,0]=3 36 B11R1.87 NS(=O)(=O)C1=C(F)C=CC=C1 CS23019 [1,0,1,0,0,0|1,0,0]=3 37 B11R1.87 O=S(=O)(Cl)C1=C(Br)C=CC=C1 MC40358 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.87 O=S(=O)(Cl)C1=C(Cl)C=CC=C1 MC40365 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.87 O=S(=O)(Cl)C1=C(F)C=CC=C1 MC40380 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.87 O=S(=O)(Cl)C1=C(I)C=CC=C1 MC40386 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.87 O=S(=O)(O)C1=C(I)C=CC=C1 MC40422 [1,0,1,0,0,0|2,0,0]=4 42 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [2,0,0,0,0,0|2,0,0]=4 43 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [2,0,0,0,0,0|1,1,0]=4 44 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [2,0,0,0,0,0|1,0,1]=4 45 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [2,0,0,0,0,0|1,0,0]=3 46 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [2,0,0,0,0,0|1,0,0]=3 47 B11R2.1 O=C1NNC2=CC=CN=C12 CS16829 [2,0,0,0,0,0|2,0,0]=4 48 B11R2.1 O=C1NNC2=CN=CC=C12 MC33248 [2,0,0,0,0,0|2,0,0]=4 49 B11R2.1 O=C1NNC2=NC=CC=C12 CS13662 [2,0,0,0,0,0|2,0,0]=4 50 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [2,0,0,0,0,0|0,0,1]=3 51 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [2,0,0,0,0,0|2,0,0]=4 52 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [2,0,0,0,0,0|1,0,1]=4 53 B13R1.349 O=C(O)C1=C(S(=O)(=O)Cl)C=CC=C1 MC33287 [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 MC40391 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.349 O=[N+]([O-])C1=C(S(=O)(=O)F)C=CC=C1 MC40425 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.3090 COC1=C(S(N)(=O)=O)C=C(N)C=C1 MC425273 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.295 NC(=O)C1=C(N)C=CC=C1[N+](=O)[O-] MC433797 [0,1,1,0,0,0|1,0,1]=4 58 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1Cl CS10531 [1,1,0,0,0,0|1,0,0]=3 59 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O CS11782 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.4857 CC1=C2C(=O)OC(=O)C2=CC=C1 MC434000 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.4857 NC1=C2C(=O)NC(=O)C2=CC=C1 CS20778 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.4857 O=C1NC(=O)C2=C(Br)C=CC=C12 CS14789 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.4857 O=C1OC(=O)C2=C(Cl)C=CC=C12 MC20882 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 CS10603 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 CS20622 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.5187 NC1=CC=C2C(=O)NC(=O)C2=C1 CS20776 [1,1,0,0,0,0|1,0,0]=3 67 B13R2.5187 O=C1NC(=O)C2=CC(Br)=CC=C12 CS20582 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.5187 O=C1NC(O)C2=CC(Br)=CC=C12 MC427428 [1,1,0,0,0,0|1,0,1]=4 69 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 CS20571 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 MC20637 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 MC20072 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.3108 O=S1(=O)NCC2=C1C=CC(F)=C2 MC114132 [1,1,0,0,0,0|0,0,1]=3 73 B15R2.13973 CC1=NC2=C(C=C(Cl)C=C2)S(=O)(=O)N1 MC34305 [0,1,0,0,0,1|1,0,0]=3 74 B15R2.13973 CC1=NC2=C(C=C(Cl)C=C2)S(=O)(=O)N1 MC34306 [0,1,0,0,0,1|1,0,0]=3 75 B15R2.13973 CC1NC2=C(C=C(Cl)C=C2)S(=O)(=O)N1 MC110971 [0,1,0,0,0,1|1,0,1]=4 76 B15R2.63892 CC1=C(Cl)c2ccc(Cl)cc2S1(=O)=O MC105717 [0,2,0,0,0,0|2,0,0]=4 77 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MC33305 [0,0,1,1,0,0|2,0,0]=4 78 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 MC30198 [0,0,1,1,0,0|1,0,1]=4 79 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CS10996 [0,0,1,1,0,0|2,0,0]=4 80 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MC439497 [0,0,1,0,0,1|1,0,1]=4 81 B13R1.45 O=C(O)CNC(=O)c1ccccc1 MC34005 [0,0,1,0,0,1|1,0,1]=4 82 B13R2.222 O=S1(=O)CC2=C(C=CC=C2)CN1 MC111723 [1,0,0,0,0,1|0,0,1]=3 83 B15R2.7341 CC1CNS(=O)(=O)C2=C(C=CC=C2)O1 MC111689 [0,0,0,0,0,2|1,0,1]=4 84 B15R2.7341 CC1CNS(=O)(=O)C2=C(C=CC=C2)O1 MC111691 [0,0,0,0,0,2|1,0,1]=4 85 B15R2.7341 CC1CNS(=O)(=O)C2=C(C=CC=C2)O1 MC111692 [0,0,0,0,0,2|1,0,1]=4 86 B15R2.15771 CC1COC2=C(C=CC=C2)S(=O)(=O)N1 MC111688 [0,0,0,0,0,2|1,0,1]=4 87 B15R2.65988 CN1CCNS(=O)(=O)C2=C1C=CC=C2 MC111680 [0,0,0,0,0,2|2,0,0]=4