0 B12R1.6 CCC1=CC=C(S(=O)(=O)Cl)C=C1 BBL013799 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.6 COC1=CC=C(S(=O)(=O)Cl)C=C1 BBL010130 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 BBL012326 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.6 NNC1=CC=C(S(N)(=O)=O)C=C1 BBL013170 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.6 OS(=O)(=O)C1=CC=C(NN)C=C1 BBL008614 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.3 CC(C)C1=CC=C(CN)C=C1 BBL037227 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 BBL027748 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.3 CCC1=CC=C(C(C)N)C=C1 BBL037374 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.3 CN(C)C1=CC=C(CN)C=C1 BBL037746 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BBL008190 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 BBL011603 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 BBL005257 [1,0,0,0,0,0|0,0,0]=1 12 B11R1.19 O=S(=O)(Cl)C1=CC=C(Br)C=C1 BBL016373 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.19 O=S(=O)(O)C1=CC=C(Cl)C=C1 BBL034713 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.38 COC1=C(Cl)C=C(S(=O)(=O)Cl)C=C1 BBL013791 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.38 COC1=C(F)C=C(S(=O)(=O)Cl)C=C1 BBL020147 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.140 CCCC1=CC=C(S(=O)(=O)Cl)C=C1 BBL017931 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.140 CCOC1=CC=C(S(=O)(=O)Cl)C=C1 BBL013891 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.140 NCCC1=CC=C(S(N)(=O)=O)C=C1 BBL018125 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.140 NS(=O)(=O)C1=CC=C(N=C=S)C=C1 BBL015240 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.140 O=S(=O)(O)C1=CC=C(CCCl)C=C1 BBL030628 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.187 CCC1=CC=C(S(=O)(=O)NN)C=C1 BBL016758 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.338 CC(=O)C1=CC=C(S(=O)(=O)Cl)C=C1 BBL013239 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 BBL013803 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 BBL003546 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.338 NS(=O)(=O)C1=CC=C(C(=O)O)C=C1 BBL011102 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.338 O=C(O)C1=CC=C(S(=O)(=O)Cl)C=C1 BBL011143 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.338 O=[N+]([O-])C1=CC=C(S(=O)(=O)Cl)C=C1 BBL019758 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.3 CCC1=CC=C(NN)C=C1 BBL022324 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.3 CSC1=CC=C(CN)C=C1 BBL037745 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BBL027306 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.13 CC1=CC=C(C(N)=O)C=N1 BBL100086 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.9 CC1=CC=C(S(=O)(=O)NN)C=C1 BBL001770 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.9 NNS(=O)(=O)C1=CC=C(Br)C=C1 BBL015567 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.23 CC1=C(C)C=C(S(=O)(=O)Cl)C=C1 BBL013798 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.23 CC1=C(Cl)C=C(S(=O)(=O)Cl)C=C1 BBL037537 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.23 CC1=CC(S(=O)(=O)[O-])=CC=C1N BBL035465 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.23 NC1=C(O)C=C(S(N)(=O)=O)C=C1 BBL009512 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.23 NC1=CC(S(N)(=O)=O)=CC=C1O BBL016371 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.23 NC1=CC=C(S(=O)(=O)[O-])C=C1Cl BBL000388 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.23 O=S(=O)(Cl)C1=CC(Cl)=C(Cl)C=C1 BBL037536 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.23 O=S(=O)(Cl)C1=CC(Cl)=C(F)C=C1 BBL017938 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.23 O=S(=O)(Cl)C1=CC=C(F)C(F)=C1 BBL013794 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.126 CC1=CC(C)=C(S(=O)(=O)Cl)C=C1 BBL013796 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.126 O=S(=O)(Cl)C1=C(Cl)C=C(F)C=C1 BBL017939 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.126 O=S(=O)(Cl)C1=C(F)C=C(F)C=C1 BBL017934 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.126 O=S(=O)(Cl)C1=CC=C(Cl)C=C1Cl BBL018085 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.585 CCC1=CC=C(S(=O)(=O)NN)S1 BBL038871 [0,1,0,0,1,0|2,0,0]=4 50 B14R1.66 CCCCC1=CC=C(S(=O)(=O)Cl)C=C1 BBL017932 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.719 CCC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 BBL016251 [0,2,0,0,0,0|2,0,0]=4 52 B14R1.719 NNC(=O)C1=CC=C(S(N)(=O)=O)C=C1 BBL039728 [0,2,0,0,0,0|0,0,1]=3 53 B14R1.806 CC(C)CC1=CC=C(S(=O)(=O)Cl)C=C1 BBL013802 [0,2,0,0,0,0|2,0,0]=4 54 B14R1.806 NC(=S)NC1=CC=C(S(N)(=O)=O)C=C1 BBL028917 [0,2,0,0,0,0|0,0,1]=3 55 B14R1.3125 CCCC1=CC=C(S(=O)(=O)NN)C=C1 BBL017040 [0,2,0,0,0,0|1,0,0]=3 56 B14R1.3125 CCOC1=CC=C(S(=O)(=O)NN)C=C1 BBL017668 [0,2,0,0,0,0|1,0,0]=3 57 B14R1.3125 CNS(=O)(=O)C1=CC=C(N=C=S)C=C1 BBL017981 [0,2,0,0,0,0|1,0,1]=4 58 B14R1.307 CC(C)C1=CC=C(S(=O)(=O)NN)C=C1 BBL017370 [0,2,0,0,0,0|1,0,0]=3 59 B14R1.307 NNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1 BBL015195 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.3175 COC1=CC=C(S(=O)(=O)CCN)C=C1 BBL012818 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.3332 CC(C)(C)C1=CC=C(S(=O)(=O)Cl)C=C1 BBL016507 [0,2,0,0,0,0|2,0,0]=4 62 B14R2.3125 O=S(=O)(Cl)C1=CC2=C(C=C1)CCC2 BBL013244 [0,1,0,1,0,0|2,0,0]=4 63 B14R2.3125 O=S(=O)(Cl)C1=CC=C2OCOC2=C1 BBL011059 [0,1,0,1,0,0|2,0,0]=4