0 B11R1.87 CC(C)(N)C1=C(N)C=CC=C1 D86445 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.87 CC1=C(S(=O)(=O)Cl)C=CC=N1 AT24066 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.87 CP(C)(=O)C1=C(I)C=CC=C1 AT11111 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.87 CP(C)(=O)C1=C(N)C=CN=C1 AT13618 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.87 CP(C)(=O)C1=C(N)N=CC=C1 AT10913 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.87 CS(=O)(=O)C1=C(Cl)C=CN=C1 91181 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.87 NC1=CC=CN=C1S(=O)(=O)F AT26546 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.87 O=S(=O)(Cl)C1=C(Br)C=CC=N1 C90995 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.87 O=S(=O)(Cl)C1=C(Br)C=NC=C1 C90997 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.87 O=S(=O)(Cl)C1=NC=CC=C1Cl AT20190 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.87 O=S(=O)(F)C1=C(Br)C=CC=N1 AT26824 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.87 O=S(=O)(F)C1=C(F)C=CN=C1 AT26909 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.28 O=S(=O)(F)C1=CC=NC=C1 AT12213 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.28 O=S(=O)(F)C1=NC=CN=C1 AT12166 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.28 [2H]C([2H])(N)C1=CC=CC=C1 D99382 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.76 COC1=C(S(=O)(=O)Cl)C=CC=N1 AT11620 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.76 COC1=CC=CN=C1S(=O)(=O)F AT26553 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.76 CS(=O)(=O)C1=C(CN)N=CC=C1 AT12790 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.126 CC1=C(S(=O)(=O)Cl)C=CC(F)=N1 AT23711 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.126 CC1=CC(Br)=CN=C1S(=O)(=O)F AT26827 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.126 CC1=CC(Br)=CN=C1S(C)(=O)=O AT14134 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.126 CC1=CC(I)=C(S(=O)(=O)Cl)C=C1 AT11639 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.126 NC1=CC(F)=C(S(N)(=O)=O)C=C1 AC9770 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.128 CC1=C(S(=O)(=O)Cl)C=C(Cl)C=N1 AT18368 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.128 CS(=O)(=O)C1=C(N)C=CC(Cl)=C1 AT10647 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.128 CS(=O)(=O)C1=CC(Br)=CN=C1Br C93129 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.128 CS(=O)(=O)C1=CC(Br)=CN=C1N C91635 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.128 NC1=C(S(N)(=O)=O)C=C(I)C=C1 AT23126 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.128 O=S(=O)(Cl)C1=CC(Cl)=CN=C1Br AT21420 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.195 CCS(=O)(=O)C1=C(N)N=CN=C1 AT13186 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.195 CNS(=O)(=O)C1=C(Cl)C=CN=C1 AT22372 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.228 CS(=O)(=O)C1=C(F)C(N)=CC=C1 AT12783 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.228 O=S(=O)(F)C1=C(F)C(Br)=NC=C1 AT12245 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.1010 CP(C)(=O)C1=C(F)C=CC=C1N F50084 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.1010 O=S(=O)(Cl)C1=C(F)N=CC=C1F AT11622 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.1010 O=S(=O)(F)C1=C(F)C=NC=C1F AT12228 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.88 NC1=C(C2(N)CC2)C=CC=C1 AC3778 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.2403 O=S1(=O)C=CC2=CC=CN=C21 AC6020 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.2403 O=S1(=O)N=CC2=C1C=CC=C2 AT19097 [0,0,0,1,0,0|1,0,1]=3 40 B10R1.65 NS(=O)(=O)C1=C(Br)C=NS1 AT21241 [0,0,0,0,1,0|3,0,0]=4 41 B10R1.65 O=S(=O)(Cl)C1=CSC=C1F AT16935 [0,0,0,0,1,0|3,0,0]=4 42 B12R1.151 CS(C)(=O)=NC1=C(Br)C=CC=C1 AT18488 [0,0,0,0,0,1|3,0,0]=4 43 B12R1.151 CS(C)(=O)=NC1=C(N)C=CC=C1 AT18479 [0,0,0,0,0,1|2,0,0]=3 44 B12R1.151 CS(C)(=O)=NC1=C(O)C=CC=C1 AT18482 [0,0,0,0,0,1|3,0,0]=4 45 B12R1.151 C[S@](=N)(=O)CC1=C(Br)C=CC=C1 E72410 [0,0,0,0,0,1|2,0,1]=4 46 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.7 C=C[Se](=O)(=O)C1=CC=CC=C1 AT22715 [1,1,0,0,0,0|1,1,0]=4 49 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT11670 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15910 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.19 CC1=NC=C(S(N)(=O)=O)C=C1 P20529 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.19 C[S@](=N)(=O)C1=CC=C(N)C=C1 AT25737 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.19 NC1=CN=C(S(=O)(=O)F)C=C1 AT26545 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.19 O=S(=O)(Cl)C1=CN=C(F)C=C1 AT11614 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.19 O=S(=O)(F)C1=CN=C(O)C=C1 AT26908 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.19 O=S(=O)(F)C1=NC=C(Cl)C=C1 AT26798 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.19 [2H]C1=CC=C(S(C)(=O)=O)C=C1 AC5556 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.155 NC1=CC(S(=O)(=O)F)=NC=C1 AT26547 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.155 NC1=CC(S(N)(=O)=O)=CN=C1 C77429 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.155 NS(=O)(=O)C1=NC=CC(Br)=C1 AT21521 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.155 O=S(=O)(Cl)C1=CC(Cl)=NC=C1 H10628 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.155 O=S(=O)(Cl)C1=NC=CC(Cl)=C1 AT20189 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.155 O=S(=O)(F)C1=CC=CC(Br)=N1 AT26822 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.155 O=S(=O)(F)C1=CC=CC(Cl)=N1 AT26799 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.155 O=S(=O)(F)C1=NC=CC(Cl)=C1 AT26570 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.166 NC(=O)C1=NC=C(F)C=C1N AT14793 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.167 NC(=O)C1=CC(Cl)=CN=C1N AT16915 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.222 O=C(NO)C1=C(Br)C=CC=C1 D76830 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.53 COC1=C(S(=O)(=O)F)C=CC(Br)=C1 AT23271 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.53 CS(=O)(=O)C1=C(C#N)C=C(Cl)C=C1 AT16934 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.53 CS(=O)(=O)C1=C(CN)C=C(Cl)C=C1 AT16939 [0,2,0,0,0,0|1,0,0]=3 72 B13R1.53 CS(=O)(=O)C1=C(CN)C=C(Cl)C=C1 AT16977 [0,2,0,0,0,0|1,0,0]=3 73 B13R1.53 CS(=O)(=O)C1=C(CO)C=C(Cl)C=C1 AT16921 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.108 COC1=C(Br)C=CC=C1S(=O)(=O)Cl AT12669 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.349 CC(C)C1=C(S(=O)(=O)Cl)C=CC=C1 AT12640 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.349 O=S(=O)(F)C1=C(B(O)O)C=CC=C1 AT12029 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.2809 CC1=CC(Br)=CC(F)=C1S(=O)(=O)Cl AT11563 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.2809 CC1=CC(F)=C(S(=O)(=O)Cl)C(C)=C1 AT11543 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.98 CS(=O)(=O)C1=C(Cl)C=CC(CN)=C1 AT16993 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.2819 CCNS(=O)(=O)C1=C(Cl)C=CN=C1 AT22377 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.3802 CN(C)S(=O)(=O)C1=C(Cl)C=CN=C1 AT22376 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.509 NS(=O)(=O)CC1=NC=CC=C1 D76578 [0,0,1,1,0,0|0,0,2]=4 83 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 AT24286 [0,0,1,1,0,0|2,0,0]=4 84 B13R2.4826 O=S1(=O)CC2=C(Br)C=CC=C2N1 AT24324 [0,0,0,1,0,1|1,0,0]=3 85 B13R2.4826 O=S1(=O)CC2=CC=CC(Br)=C2N1 AT24326 [0,0,0,1,0,1|2,0,0]=4 86 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=C2 C75285 [0,1,0,1,0,0|1,0,0]=3 87 B13R2.3108 NC1=CC2=C(C=C1)S(=O)(=O)C=C2 AC8395 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.3108 O=S1(=O)C=CC2=C1C=CC(O)=C2 D73913 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.3791 O=S1(=O)C=CC2=C1C=C(O)C=C2 D73914 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.359 O=S1(=O)C(Br)=CC2=C1C=CC=C2 D74053 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.19 CS(=O)(=O)C1=CNC=C1 AC9300 [1,0,0,0,1,0|2,0,0]=4 92 B9R1.19 NS(=O)(=O)C1=CC=CO1 AT22943 [1,0,0,0,1,0|1,0,0]=3 93 B9R1.19 NS(=O)(=O)C1=CON=C1 AT22863 [1,0,0,0,1,0|2,0,0]=4