0 B12R1.6 CS(=O)(=O)C1=CC=C(CCl)C=C1 CK2015 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.6 CS(=O)(=O)C1=CC=C(NN)C=C1 69023 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.6 O=CC1=CC=C(S(=O)(=O)[O-])C=C1 C14667 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 CN(C)C1=CC=C(CN)C=C1 82875 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.3 CN(C)C1=CC=C(CN)C=C1 C90108 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 D82190 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15424 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.3 O=[N+]([O-])C1=CC=C(CS)C=C1 AT13681 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 S11130 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15971 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15972 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.19 CS(=O)(=O)C1=NC=C(N)C=C1 36137 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.19 NC1=CC=C(S(=O)(=O)[O-])C=C1 29608 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.19 NC1=CC=C([As](=O)([O-])O)C=C1 D88275 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.19 O=S(=O)(Cl)C1=CC=C(Br)C=C1 85876 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.38 COC1=C(C)C=C(S(=O)(=O)Cl)C=C1 W16402 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.38 N#CC1=C(Cl)C=C(S(=O)(=O)Cl)C=C1 D82634 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.96 CS(=O)(=O)C1=C(F)C=C(C=O)C=C1 F21108 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.140 CCCC1=CC=C(S(=O)(=O)Cl)C=C1 F16211 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.140 CS(=O)(=O)C1=CC=C(CCN)C=C1 AC6919 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.338 O=[N+]([O-])C1=CC=C(S(=O)(=O)O)C=C1 D91647 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.45 CCC1=CC=C(S(=O)(=O)Cl)S1 AT16595 [0,0,0,0,1,0|3,0,0]=4 22 B10R1.3 C=CC1=CC=C(CN)C=C1 CK2398 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.3 CSC1=CC=C(CN)C=C1 AT20993 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 N12036 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.13 CC1=CC=C([S@](=O)O)C=C1 F21290 [2,0,0,0,0,0|0,0,2]=4 26 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 AR3950 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 D88593 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.28 O=S(=O)([O-])C1=CN=CC=C1 D91985 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 AB7683 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 F53523 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 F53578 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.256 NC(=O)C1=CC=C(C(N)=O)C=C1 D92284 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.452 NCC1=CC(Cl)=C([N+](=O)[O-])C=C1 D88069 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.23 CC1=C(Br)C=C(S(=O)(=O)Cl)C=C1 AT13483 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.23 CC1=C(Br)C=CC(S(=O)(=O)Cl)=C1 F16194 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.23 CC1=C(Br)C=CC(S(C)(=O)=O)=C1 AT14183 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.23 CC1=C(Cl)C=C(S(C)(=O)=O)C=C1 36211 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.23 CC1=C(F)C=CC(S(N)(=O)=O)=C1 C80050 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.23 CS(=O)(=O)C1=CC(F)=C(O)C=C1 94982 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.23 O=S(=O)(Cl)C1=CC(Br)=C(Cl)C=C1 AT13491 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.126 CC1=C(S(C)(=O)=O)C=CC(Br)=C1 AC7498 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.126 CS(=O)(=O)C1=C(F)C=C(F)C=C1 D76303 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.126 NS(=O)(=O)C1=C(Cl)C=C(Br)C=C1 SC5043 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.126 O=S(=O)(Cl)C1=C(Br)C=C(Cl)C=C1 AT13526 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.213 CN(C)S(=O)(=O)C1=CC=C(C#N)C=C1 AT13558 [0,2,0,0,0,0|0,0,2]=4 46 B14R1.307 CNS(=O)(=O)C1=CC=C(C(=O)O)C=C1 AT24956 [0,2,0,0,0,0|1,0,1]=4 47 B14R2.3125 NS(=O)(=O)C1=CC2=C(C=C1)OCC2 C80073 [0,1,0,1,0,0|1,0,0]=3 48 B14R2.3125 O=S(=O)(Cl)C1=CC2=C(C=C1)CCC2 AT13425 [0,1,0,1,0,0|2,0,0]=4 49 B12R1.436 NCC1=CC=CC(S(N)(=O)=O)=C1 F50893 [0,0,0,0,1,1|0,0,0]=2