0 B8R1.2 CCC1=NC=CC=N1 D86044 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [0,0,0,0,0,0|0,0,2]=2 2 B8R1.2 NCC1=CN=NC=C1 F10917 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.2 NNC1=CN=NC=C1 AT13036 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.3 SC1=CN=CC=C1 AT26584 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [0,1,0,0,0,0|2,0,1]=4 6 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [0,1,0,0,0,0|1,0,2]=4 7 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.2 BrCC1=NC=CC(Br)=C1 AT15450 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.2 FC1=CC(CBr)=NC=C1 AC8274 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.2 NCC1=NC=CC(F)=C1 N13372 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.2 NCC1=NC=CC(O)=C1 79355 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.2 O=CC1=CN=CC(F)=N1 P13899 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [0,1,0,0,0,0|0,0,0]=1 17 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [0,1,0,0,0,0|1,0,1]=3 20 B9R1.6 NC(=S)C1=NN=CC=C1 O12058 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.8 CCOC1=CN=CC=C1 F31361 [0,1,0,0,0,0|1,0,2]=4 22 B9R1.8 ClCCC1=CN=CC=C1 D87792 [0,1,0,0,0,0|1,0,2]=4 23 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [0,1,0,0,0,0|0,0,0]=1 24 B9R1.8 O=C=NC1=CC=NC=C1 AC6649 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.8 S=C=NC1=CC=NC=C1 C11997 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.8 SCCC1=CN=CC=C1 F18092 [0,1,0,0,0,0|1,0,2]=4 27 B9R1.15 C#CC1=NC=CC=C1N AT26714 [0,1,0,0,0,0|1,0,2]=4 28 B9R1.15 CC1=C(C=O)C=NN=C1 AT10311 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.15 CC1=CC=NN=C1C=O AT10310 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.15 N#CC1=C(F)C=CN=C1 C14105 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.15 N#CC1=C(S)C=CC=N1 AT16200 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.15 NCC1=CC=CNC1=O D76881 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.15 O=CC1=NC=CN=C1F P13900 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.1 C#CC1=CC=CO1 AC9158 [0,0,0,0,1,0|1,0,2]=4 38 B7R1.1 O=CC1=CC=NO1 C73163 [0,0,0,0,1,0|3,0,0]=4 39 B6R1.1 [13CH]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 41443 [2,0,0,0,0,0|0,0,0]=2 40 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.4 CC1=CC(I)=CN=C1 D76269 [1,1,0,0,0,0|1,0,1]=4 42 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [1,1,0,0,0,0|1,0,0]=3 43 B8R1.4 O=C1C=C(Br)C=CO1 A10539 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.4 O=C1C=CC=C(I)N1 D76264 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.4 SC1=CC(Cl)=CN=C1 AT19856 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.5 NC1=C(S)C=NC=C1 P12634 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.5 O=C1OC=CC=C1Br AC1746 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.5 OC1=C(F)C=CN=C1 98163 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.1 C=CC1=NN(C)C=C1 C91458 [0,1,0,0,1,0|2,0,0]=4 51 B8R1.1 CC1=COC(C=O)=C1 P11782 [0,1,0,0,1,0|2,0,0]=4 52 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [0,1,0,0,1,0|2,0,0]=4 53 B8R1.1 O=CC1=CC(F)=CS1 D74660 [0,1,0,0,1,0|2,0,0]=4 54 B8R1.1 O=CC1=CC=C(F)S1 87160 [0,1,0,0,1,0|2,0,0]=4 55 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [0,1,0,0,1,0|2,0,0]=4 56 B8R1.11 NC1=C(C=O)OC=C1 D74825 [0,1,0,0,1,0|2,0,0]=4 57 B8R1.11 O=CC1=C(Cl)C=CN1 P10927 [0,1,0,0,1,0|2,0,0]=4 58 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [0,1,0,0,1,0|2,0,0]=4 59 B8R1.11 O=CC1=C(F)C=CS1 D74567 [0,1,0,0,1,0|2,0,0]=4 60 B8R1.11 O=CC1=CSC=C1F AT17070 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [0,2,0,0,0,0|0,0,2]=4 62 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [0,2,0,0,0,0|1,0,1]=4 63 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [0,2,0,0,0,0|1,0,1]=4 65 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [0,2,0,0,0,0|1,0,1]=4 66 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [0,2,0,0,0,0|1,0,1]=4 67 B10R1.13 N=C(N)C1=CN=C(Br)C=C1 W17790 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,2,0,0,0,0|1,0,0]=3 69 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [0,2,0,0,0,0|1,0,1]=4 70 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [0,2,0,0,0,0|1,0,1]=4 73 B10R1.25 N#CC1=C(I)C=C(O)C=C1 D76837 [0,2,0,0,0,0|1,0,1]=4 74 B10R1.25 N#CC1=C(O)C=C(I)C=C1 D76835 [0,2,0,0,0,0|1,0,1]=4 75 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.25 O=CC1=NC=C(Br)C=C1O AT21333 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [0,2,0,0,0,0|1,0,1]=4 78 B10R1.176 C#CC1=CC(Br)=C(Br)C=C1 AT26841 [0,2,0,0,0,0|0,0,2]=4 79 B10R1.176 C#CC1=CC(Br)=C(Cl)C=C1 AT26819 [0,2,0,0,0,0|0,0,2]=4 80 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [0,2,0,0,0,0|1,0,1]=4 81 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [0,2,0,0,0,0|1,0,1]=4 82 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [0,2,0,0,0,0|1,0,1]=4 83 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [0,2,0,0,0,0|1,0,1]=4 84 B10R1.176 N#CC1=CC(S)=C(N)C=C1 AT19654 [0,2,0,0,0,0|1,0,1]=4 85 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [0,2,0,0,0,0|1,0,1]=4 87 B10R1.176 O=CC1=CC(Br)=C(F)C=N1 AT22892 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 AT23488 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 54870 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.176 O=CC1=CNC(=O)C(I)=C1 D74794 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.176 O=CC1=NC(F)=C(Br)C=C1 AT22890 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [0,2,0,0,0,0|1,0,1]=4 93 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [0,2,0,0,0,0|1,0,1]=4 94 B10R1.2 C#CC1=C(F)C(C)=CC=C1 AT26741 [0,2,0,0,0,0|0,0,2]=4 95 B10R1.2 C#CC1=CC=CC(F)=C1Br AT26750 [0,2,0,0,0,0|0,0,2]=4 96 B10R1.2 CC1=C(C=O)C=CN=C1F AC7965 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.2 CCC1=C(C)C(C)=CC=C1 T73080 [0,2,0,0,0,0|0,0,2]=4 98 B10R1.2 N#CC1=CC=CC(S)=C1Cl AT20901 [0,2,0,0,0,0|1,0,1]=4 99 B10R1.2 N#CC1=CC=CC(S)=C1F AT20898 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.2 NCC1=CC=CC(F)=C1O D85259 [0,2,0,0,0,0|1,0,1]=4 101 B10R1.2 NNC1=CC=CC(F)=C1Br AT23940 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.2 O=CC1=C(O)C(Br)=NC=C1 D73604 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.2 O=CC1=CN=CC(Cl)=C1Br AT21625 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.8 C#CC1=CC(Br)=CC(Cl)=C1 AT26744 [0,2,0,0,0,0|0,0,2]=4 105 B10R1.8 C=CC1=NC(Cl)=CC(Cl)=N1 F19695 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.8 CCC1=CC(C)=CC(C)=C1 T73084 [0,2,0,0,0,0|0,0,2]=4 107 B10R1.8 NC1=NC(C=O)=CC(Br)=C1 D75532 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.10 C#CCC1=CC=CC(Cl)=C1 D75648 [0,2,0,0,0,0|0,0,2]=4 109 B10R1.30 C#CC1=C(O)C=CC(N)=C1 AC8460 [0,2,0,0,0,0|0,0,2]=4 110 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [0,2,0,0,0,0|0,0,0]=2 111 B10R1.30 CC1=CC(C=O)=C(F)C=N1 AT23100 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.30 CC1=NC(C=O)=C(Br)C=C1 D72193 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [0,2,0,0,0,0|1,0,1]=4 114 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [0,2,0,0,0,0|1,0,1]=4 116 B10R1.30 O=CC1=C(Br)C=CC(Br)=N1 AC8056 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.30 O=CC1=C(Br)C=CC(F)=N1 AC3278 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.172 CNC1=CC=CC(CO)=C1 AT21038 [0,2,0,0,0,0|1,0,1]=4 120 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [0,2,0,0,0,0|1,0,1]=4 121 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [0,2,0,0,0,0|0,0,2]=4 122 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [0,2,0,0,0,0|0,0,2]=4 123 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [0,2,0,0,0,0|0,0,2]=4 124 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [0,2,0,0,0,0|0,0,2]=4 125 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [0,2,0,0,0,0|0,0,2]=4 126 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [0,2,0,0,0,0|0,0,2]=4 127 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [0,2,0,0,0,0|0,0,2]=4 128 B10R1.28 [2H]C([2H])(N)C1=CC=CC=C1 D99382 [0,2,0,0,0,0|1,0,1]=4 129 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [0,2,0,0,0,0|1,0,1]=4 130 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [0,2,0,0,0,0|0,0,2]=4 131 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.61 OC1=C(C(F)F)C=CC=C1 AT20035 [0,2,0,0,0,0|1,0,1]=4 133 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,2,0,0,0,0|0,0,1]=3 135 B10R1.20 C=CC1=C(C=C)C=CC=C1 A11741 [0,2,0,0,0,0|0,0,0]=2 136 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [0,2,0,0,0,0|0,0,0]=2 137 B10R1.20 CCC1=CC=CN=C1C=O AT24573 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.245 C#CC1=C(Br)C=CC=C1Br AT26842 [0,2,0,0,0,0|0,0,2]=4 139 B10R1.245 CC1=CN=CC(F)=C1C=O AT23108 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.245 COC1=C(O)C=CC=C1C AT19440 [0,2,0,0,0,0|1,0,1]=4 141 B10R1.245 CSC1=C(I)C=CC=C1Cl D85832 [0,2,0,0,0,0|1,0,1]=4 142 B10R1.245 NC1=NC=CC(Br)=C1C=O P19341 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.245 O=CC1=C(I)C=CC=C1I AT18530 [0,2,0,0,0,0|1,0,0]=3 144 B10R1.245 OCC1=C(I)C=CC=C1I AT18544 [0,2,0,0,0,0|1,0,1]=4 145 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [0,1,0,1,0,0|0,0,2]=4 146 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [0,1,0,1,0,0|0,0,2]=4 147 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [0,1,0,1,0,0|0,0,2]=4 148 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [0,1,0,1,0,0|0,0,0]=2 149 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [0,1,0,1,0,0|1,0,0]=3 150 B10R2.7 C1=CC2=CN=NC=C2N1 A10645 [0,1,0,1,0,0|2,0,0]=4 151 B6R1.2 NC1=COC=C1 AC9528 [1,0,0,0,1,0|2,0,0]=4 152 B6R1.2 OC1=CC=CS1 AC4704 [1,0,0,0,1,0|2,0,0]=4