0 B13R2.12159 O=C1CS(=O)(=O)C2=C1C=CC=C2 19157 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.12159 O=C1SS(=O)(=O)C2=C1C=CC=C2 35767 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 24840 [1,0,0,0,0,0|2,0,0]=3 4 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 15713 [1,0,0,0,0,0|1,0,0]=2 5 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 35955 [1,0,0,0,0,0|1,0,0]=2 6 B12R2.2028 O=C1NC(=O)c2ncccc21 8817 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 17186 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 17494 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 10172 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 12493 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 12453 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 13972 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.39 N#CCS(=O)(=O)C1=CC=CC=C1 14506 [0,0,1,0,0,0|2,0,1]=4 14 B12R1.76 N#CC1=C(S(=O)(=O)Cl)C=CC=C1 5107 [0,0,1,0,0,0|2,0,1]=4 15 B12R1.76 N#CC1=C(S(N)(=O)=O)C=CC=C1 11785 [0,0,1,0,0,0|1,0,1]=3 16 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 35765 [0,0,1,0,0,0|2,1,0]=4 17 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 10700 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.261 CC(=O)C1=C(C(C)=O)C=CC=C1 24179 [0,0,1,0,0,0|3,0,0]=4 19 B12R1.261 NC(=O)C1=C(B(O)O)C=CC=C1 1766 [0,0,1,0,0,0|1,0,2]=4 20 B12R1.261 NC(=O)C1=C([N+](=O)[O-])C=NC=C1 9762 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.261 O=C(O)C1=C(I(=O)=O)C=CC=C1 13864 [0,0,1,0,0,0|2,0,0]=3 22 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 22385 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O 35845 [0,0,1,0,0,0|2,0,1]=4 24 B14R2.29285 NC1CCS(=O)(=O)C2=CC=CC=C21 15757 [0,0,0,0,0,1|2,0,1]=4 25 B14R2.29496 NC1CS(=O)(=O)Cc2ccccc21 14609 [0,0,0,0,0,1|2,0,1]=4 26 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 15333 [1,0,1,0,0,0|1,0,0]=3 27 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 10864 [1,0,1,0,0,0|1,0,1]=4 28 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 22730 [1,0,1,0,0,0|1,0,1]=4 29 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 10826 [1,0,1,0,0,0|1,0,1]=4 30 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 7575 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 7365 [1,0,1,0,0,0|1,0,1]=4 33 B11R1.53 O=CC1=C([N+](=O)[O-])C=CC=C1 7762 [1,0,1,0,0,0|1,0,1]=4 34 B11R1.87 CC1=C(S(N)(=O)=O)C=CC=C1 10087 [1,0,1,0,0,0|0,0,1]=3 35 B11R1.87 CS(=O)(=O)C1=C(Br)C=CC=C1 16799 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.87 CS(=O)(=O)C1=C(Cl)C=CC=C1 10825 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.87 CS(=O)(=O)C1=C(F)C=CC=C1 10824 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.87 NS(=O)(=O)C1=C(Br)C=CC=C1 13521 [1,0,1,0,0,0|1,0,0]=3 39 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CC=C1 15336 [1,0,1,0,0,0|1,0,0]=3 40 B11R1.87 NS(=O)(=O)C1=C(F)C=CC=C1 11761 [1,0,1,0,0,0|1,0,0]=3 41 B11R1.87 O=S(=O)(Cl)C1=C(Br)C=CC=C1 5054 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.87 O=S(=O)(Cl)C1=C(Cl)C=CC=C1 5074 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.87 O=S(=O)(Cl)C1=C(F)C=CC=C1 5138 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.87 O=S(=O)(Cl)C1=C(I)C=CC=C1 5167 [1,0,1,0,0,0|2,0,0]=4 45 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [2,0,0,0,0,0|2,0,0]=4 46 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [2,0,0,0,0,0|1,1,0]=4 47 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [2,0,0,0,0,0|1,0,1]=4 48 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [2,0,0,0,0,0|1,0,0]=3 49 B11R2.1 O=C1NN=C2C=CC=CN12 9282 [2,0,0,0,0,0|2,0,0]=4 50 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [2,0,0,0,0,0|1,0,0]=3 51 B11R2.1 O=C1NSC2=C1C=CC=C2 15685 [2,0,0,0,0,0|0,0,1]=3 52 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [2,0,0,0,0,0|2,0,0]=4 53 B11R2.1 O=C1SSC2=C1C=CC=C2 32197 [2,0,0,0,0,0|1,0,1]=4 54 B13R1.29 CC1=CC=C(S(=O)(=O)N=C=O)C=C1 32326 [0,1,1,0,0,0|0,0,2]=4 55 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 14505 [0,1,1,0,0,0|1,0,0]=3 56 B13R1.349 CS(=O)(=O)C1=C(C(=O)O)C=CC=C1 18527 [0,1,1,0,0,0|1,0,0]=3 57 B13R1.349 O=C(O)C1=C(S(=O)(=O)Cl)C=CC=C1 14810 [0,1,1,0,0,0|1,0,0]=3 58 B13R1.349 O=[N+]([O-])C1=C(S(=O)(=O)Cl)C=CC=C1 26397 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.352 O=C(OS(=O)(=O)[O-])C1=CC=CC=C1 12651 [0,1,1,0,0,0|1,0,0]=3 60 B13R1.295 NC(=O)C1=C(N)C=CC=C1[N+](=O)[O-] 28769 [0,1,1,0,0,0|1,0,1]=4 61 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 17315 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.4857 CC1=C2C(=O)OC(=O)C2=CC=C1 28914 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.4857 NC1=C2C(=O)NC(=O)C2=CC=C1 30272 [1,1,0,0,0,0|1,0,0]=3 64 B13R2.4857 O=C1NC(=O)C2=C(Br)C=CC=C12 24708 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.4857 O=C1OC(=O)C2=C(Br)C=CC=C12 18163 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.4857 O=C1OC(=O)C2=C(Cl)C=CC=C12 19464 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 1949 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 30270 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.5187 NC1=CC=C2C(=O)NC(=O)C2=C1 30274 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 2027 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 12512 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 1950 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.3791 NC1=CC2=C(C=C1)C=CS2(=O)=O 14478 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 14914 [0,0,1,0,0,1|1,0,1]=4