0 B13R2.12159 NC1=NS(=O)(=O)C2=C1C=CC=C2 OR46555 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 OR3108 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 OR28884 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.12159 O=S1(=O)CC(O)C2=C1C=CC=C2 OR303988 [0,0,0,0,0,0|1,0,2]=3 4 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 OR25011 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 OR4746 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 OR11737 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 OR29467 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 OR26823 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 OR51756 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 OR54559 [1,0,0,0,0,0|1,0,1]=3 11 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 OR26005 [1,0,0,0,0,0|1,0,0]=2 12 B12R1.39 CCNS(=O)(=O)C1=CC=CN=C1 OR7151 [0,0,1,0,0,0|2,0,1]=4 13 B12R1.39 N#CCS(=O)(=O)C1=CC=CC=C1 OR0234 [0,0,1,0,0,0|2,0,1]=4 14 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 OR1291 [0,0,1,0,0,0|2,0,1]=4 15 B12R1.76 CCC1=C(S(=O)(=O)Cl)C=CC=C1 OR0051 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.76 CS(=O)(=O)C1=C(NN)C=CC=C1 OR8430 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.76 N#CC1=C(S(=O)(=O)Cl)C=CC=C1 OR8940 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.76 N#CC1=C(S(N)(=O)=O)C=CC=C1 OR0117 [0,0,1,0,0,0|1,0,1]=3 19 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 OR12814 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 OR4861 [0,0,1,0,0,0|2,1,0]=4 21 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=C1 OR0043 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O OR16143 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O OR16149 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.261 NC(=O)C1=C(B(O)O)C=CC=C1 OR10324 [0,0,1,0,0,0|1,0,2]=4 25 B14R2.29496 NC1CS(=O)(=O)CC2=CC=CC=C21 OR40611 [0,0,0,0,0,1|2,0,1]=4 26 B14R2.29496 O=C1CS(=O)(=O)OC2=C1C=CC=C2 OR9453 [0,0,0,0,0,1|1,0,0]=2 27 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 OR9713 [1,0,1,0,0,0|1,0,1]=4 28 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 OR5306 [1,0,1,0,0,0|1,0,1]=4 29 B11R1.7 NNS(=O)(=O)C1=CC=CC=C1 OR21653 [1,0,1,0,0,0|1,0,0]=3 30 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 OR5175 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.53 O=CC1=C([N+](=O)[O-])C=CC=C1 OR4976 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.53 O=[IH2]C1=C(C(=O)O)C=CC=C1 OR7133 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.87 CC1=C(S(=O)(=O)Cl)C=CC=C1 OR9961 [1,0,1,0,0,0|1,0,1]=4 34 B11R1.87 CC1=CC=CC=C1S(N)(=O)=O OR28825 [1,0,1,0,0,0|0,0,1]=3 35 B11R1.87 CS(=O)(=O)C1=C(N)C=CC=C1 OR16499 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.87 CS(=O)(=O)C1=C(N)C=CC=C1 OR4779 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.87 CS(=O)(=O)C1=C(O)C=CC=C1 OR3526 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.87 CS(=O)(=O)C1=CC=CC=C1Br OR6951 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.87 CS(=O)(=O)C1=CC=CC=C1Cl OR6950 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.87 NC1=C(S(=O)(=O)O)C=CC=C1 OR40577 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.87 NC1=C(S(N)(=O)=O)C=CC=C1 OR27532 [1,0,1,0,0,0|1,0,0]=3 42 B11R1.87 NC1=C(S(N)(=O)=O)C=NC=C1 OR301164 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CC=C1 OR0109 [1,0,1,0,0,0|1,0,0]=3 44 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CN=C1 OR2033 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.87 NS(=O)(=O)C1=C(O)C=CN=C1 OR13668 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.87 NS(=O)(=O)C1=CC=CC=C1Br OR30195 [1,0,1,0,0,0|1,0,0]=3 47 B11R1.87 O=S(=O)(Cl)C1=C(Br)C=CC=C1 OR5370 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.87 O=S(=O)(Cl)C1=C(Cl)C=CC=C1 OR5374 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.87 O=S(=O)(Cl)C1=C(I)C=CC=C1 OR0548 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.87 O=S(=O)(O)C1=C(I)C=CC=C1 OR16595 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.87 O=S(=O)([O-])C1=C(I)C=CC=C1 OR24927 [1,0,1,0,0,0|2,0,0]=4 52 B11R2.1 O=C1C=CC2=C1C=CC=C2 OR301146 [2,0,0,0,0,0|2,0,0]=4 53 B11R2.1 O=C1CCC2=C1C=CC=C2 OR6561 [2,0,0,0,0,0|2,0,0]=4 54 B11R2.1 O=C1COC2=CC=CC=C12 OR24591 [2,0,0,0,0,0|1,1,0]=4 55 B11R2.1 O=C1NCC2=C1C=CC=C2 OR305294 [2,0,0,0,0,0|1,0,0]=3 56 B11R2.1 O=C1NCC2=C1N=CC=C2 OR53107 [2,0,0,0,0,0|2,0,0]=4 57 B11R2.1 O=C1NCC2=NC=CC=C12 OR305375 [2,0,0,0,0,0|2,0,0]=4 58 B11R2.1 O=C1NNC2=C1C=CC=C2 OR7741 [2,0,0,0,0,0|1,0,0]=3 59 B11R2.1 O=C1NSC2=C1C=CC=C2 OR906447 [2,0,0,0,0,0|0,0,1]=3 60 B13R1.29 CC1=CC=C(S(=O)(=O)N=C=O)C=C1 OR28867 [0,1,1,0,0,0|0,0,2]=4 61 B13R1.29 CCNS(=O)(=O)C1=CC=C(Br)C=C1 OR5692 [0,1,1,0,0,0|1,0,1]=4 62 B13R1.30 CCNS(=O)(=O)C1=CC(Br)=CC=C1 OR5731 [0,1,1,0,0,0|1,0,1]=4 63 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 OR0456 [0,1,1,0,0,0|1,0,0]=3 64 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 OR5366 [0,1,1,0,0,0|1,0,0]=3 65 B13R1.347 O=[N+]([O-])CS(=O)(=O)C1=CC=CC=C1 OR5859 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.2819 CCNS(=O)(=O)C1=C(Br)C=CC=C1 OR11637 [0,1,1,0,0,0|1,0,1]=4 67 B13R1.2819 CCNS(=O)(=O)C1=CC=CC=C1Cl OR110345 [0,1,1,0,0,0|1,0,1]=4 68 B13R1.349 CS(=O)(=O)C1=C(C(=O)O)C=CC=C1 OR2589 [0,1,1,0,0,0|1,0,0]=3 69 B13R1.349 CS(=O)(=O)C1=C([N+](=O)[O-])C=CC=C1 OR18540 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.349 NS(=O)(=O)C1=C(C(=O)O)C=CC=C1 OR40498 [0,1,1,0,0,0|0,0,0]=2 71 B13R1.349 NS(=O)(=O)C1=C([N+](=O)[O-])C=CC=C1 OR8788 [0,1,1,0,0,0|1,0,0]=3 72 B13R1.349 O=C(O)C1=C(S(=O)(=O)O)C=CC=C1 OR61312 [0,1,1,0,0,0|1,0,0]=3 73 B13R1.349 O=[N+]([O-])C1=C(S(=O)(=O)Cl)C=CC=C1 OR5376 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.3090 COC1=C(S(N)(=O)=O)C=C(Br)C=C1 OR9399 [0,1,1,0,0,0|2,0,0]=4 75 B13R1.3090 CS(=O)(=O)C1=C(C=O)C=CC(Cl)=C1 OR7625 [0,1,1,0,0,0|1,0,0]=3 76 B13R1.3090 CS(=O)(=O)C1=CC(Br)=CC=C1C=O OR7961 [0,1,1,0,0,0|1,0,0]=3 77 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=NC=C1 OR7990 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.352 CS(=O)(=O)CC(=O)C1=CN=CC=C1 OR7992 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.352 CS(=O)(=O)CC(=O)C1=NC=CC=C1 OR7991 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.165 NC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-] OR0028 [0,1,1,0,0,0|1,0,1]=4 81 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)C1Br OR8889 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O OR51753 [1,1,0,0,0,0|1,0,0]=3 83 B13R2.4857 O=C1OC(=O)C2=C(Cl)C=CC=C12 OR54359 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.5187 NC1=CC=C2C(=O)NC(=O)C2=C1 OR13335 [1,1,0,0,0,0|1,0,0]=3 85 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 OR45117 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.3791 NC1=CC2=C(C=C1)C=CS2(=O)=O OR26007 [1,1,0,0,0,0|1,0,0]=3 87 B15R2.7494 O=C1CCS(=O)(=O)C2=C1C=C(Cl)C=C2 OR29015 [0,1,0,0,0,1|1,0,0]=3 88 B15R2.13861 CN1C2=CC=CC=C2C(=O)CS1(=O)=O OR9458 [0,1,0,0,0,1|1,0,0]=3 89 B15R2.154941 CC1=C(Cl)C2=C(C(Cl)=CC=C2)S1(=O)=O OR14406 [0,2,0,0,0,0|2,0,0]=4 90 B15R2.202 O=CN1C(=O)C2=C(C=CC=C2)S1(=O)=O OR939711 [0,2,0,0,0,0|0,0,0]=2 91 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 OR350055 [0,0,1,0,1,0|1,0,1]=4