0 B10R1.20 C1=CC=C(CO)C(=C1)CO LN01372805 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.20 CNC1=CC=CC=C1NC AC050961 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.20 COC1=NC=CC=C1C#N LN00005668 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.20 COC1=NC=CC=C1C=O AC190310 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.20 COC1=NC=CC=C1CCl LN00003497 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.20 NCC1=CC=CC=C1CO AC182374 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.20 NNC1=C(CO)C=CC=N1 AC010431 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CC1=CC=CC=C1CN AC190306 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 CC1=CC=CN=C1C=O AC181444 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.15 CC1=NC=CC=C1CO LN00004952 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.15 CCC1=CC=CC=C1Br AC500247 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 CCC1=NC=CC=C1O LN00004884 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 COC1=CC=CN=C1Br AC500269 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 COC1=CC=CN=C1Cl AC181653 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 COC1=CC=CN=C1N AC511905 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 COC1=NC=CC=C1Br AC181597 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 COC1=NC=CC=C1Cl AC181590 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 COC1=NC=CC=C1I AC181562 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 COC1=NC=CN=C1Cl AC512133 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.15 ClC1=NC=CN=C1C#N AC170102 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.15 NC1=C(CO)C=CC=N1 AC181888 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 NC1=NC=CN=C1C#N AC181389 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.15 NCC1=NC=CN=C1Cl AC182522 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.15 OCC1=CC=CN=C1Cl AC181378 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 OCC1=CC=CN=C1F AC181533 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.41 COC1=C(CCN)C=CC=C1 AC020413 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.41 COC1=CC=CC=C1CCO AC180052 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.53 CCC1=C(C=CC=N1)C(=O)O LN00337936 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.53 COC1=NC=CN=C1C(O)=O AC512126 [0,1,0,0,0,0|2,0,1]=4 29 B11R2.1 NC1CCC2=CC=CC=C12 AC190231 [0,0,0,1,0,0|3,0,0]=4 30 B11R2.1 NC1COC2=NC=CC=C12 AC512024 [0,0,0,1,0,0|3,0,0]=4 31 B11R2.1 O=C1CCC2=CC=CN=C12 AC182161 [0,0,0,1,0,0|2,0,1]=4 32 B11R2.1 O=C1CCC2=NC=CC=C12 AC511871 [0,0,0,1,0,0|2,0,1]=4 33 B11R2.1 OC1CCC2=CC=CN=C12 AC182162 [0,0,0,1,0,0|2,0,0]=3 34 B11R2.20 C1CC2=C(CN1)C=CC=C2 AC180179 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.20 C1CC2=C(CN1)C=CC=N2 AC050259 [0,0,0,1,0,0|2,0,0]=3 36 B11R2.20 C1CC2=C(CN1)C=NC=N2 AC182554 [0,0,0,1,0,0|3,0,0]=4 37 B11R2.20 C1CC2=C(CN1)N=CC=C2 AC050313 [0,0,0,1,0,0|2,0,0]=3 38 B11R2.20 C1CC2=C(CO1)C=CC=C2 AC180186 [0,0,0,1,0,0|3,0,0]=4 39 B11R2.20 C1CCC2=C(C1)C=CC=N2 AC180175 [0,0,0,1,0,0|1,0,0]=2 40 B11R2.20 C1CNC2=CC=CC=C2C1 AC180172 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.14 CCN1C=CN=C1CO LN00168261 [0,0,0,0,1,0|2,0,0]=3 42 B9R1.14 CCN1N=CN=C1CO AC051197 [0,0,0,0,1,0|2,0,0]=3 43 B8R1.2 BrCC1=CC=CN=C1 AC190295 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 BrCC1=NC=CC=C1 AC190262 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 CNC1=CN=CC=N1 LN00001826 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.2 CNC1=NC=CC=C1 AC500327 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 CSC1=CN=CC=N1 LN00220945 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.2 ClCC1=CC=CC=N1 AC510931 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 ClCC1=CC=CN=C1 AC190048 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 NCC1=CC=CN=C1 AC512081 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.2 NCC1=NC=CN=C1 AC511030 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.2 OCC1=CC=CN=C1 AC500154 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 OCC1=NC=CC=C1 AC511744 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.2 SCC1=NC=CC=C1 AC100035 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.5 CC1=C(Br)N=CC=C1 AC510729 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.5 CC1=CC=CN=C1F AC511615 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.5 CC1=NC=CC=C1Br AC180855 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 CC1=NC=CC=C1Cl AC181796 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.5 CC1=NC=CC=C1O AC180647 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.5 CC1=NC=CN=C1Cl AC180364 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.5 CC1=NC=CN=C1N AC182349 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.5 NC1=C(N)N=CC=N1 AC182164 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.5 NC1=NC=CN=C1Br AC511980 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.5 NC1=NC=CN=C1Cl AC510928 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.25 CC1=NC(F)=CC=C1CO AC210027 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.25 COC1=C(C)C=C(N)C=N1 AC181867 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.25 COC1=NC=C(Br)C=C1C AC020153 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.30 CCC1=NC(C)=CC=C1O AC181021 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.30 COC1=NC(Br)=CN=C1I AC070030 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.61 CC(C)C1=C(N)N=CC=C1 AC010483 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.61 CC1=NC=CN=C1C(O)=O AC182348 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.61 C[C@H](O)C1=CC=CN=C1N AC020958 [1,1,0,0,0,0|2,0,0]=4 73 B10R2.7 C1=CC2=C(N=C1)NCC2 LN00151014 [1,0,0,1,0,0|2,0,0]=4 74 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [1,0,0,1,0,0|1,0,0]=3 75 B10R2.7 C1CC2=C(N1)N=CC=C2 AC020599 [1,0,0,1,0,0|2,0,0]=4 76 B10R2.7 C1CC2=CC=CN=C2N1 AC021071 [1,0,0,1,0,0|2,0,0]=4 77 B10R2.32 C1CN2C=CN=C2C1O LN00005166 [0,0,0,1,1,0|2,0,0]=4 78 B12R2.24 ClC1=CC=C2CNCCC2=N1 AC182482 [0,1,0,1,0,0|2,0,0]=4 79 B12R2.24 ClC1=CC=C2COCCC2=N1 AC050299 [0,1,0,1,0,0|2,0,0]=4 80 B12R2.24 ClC1=NC2=C(CCCC2)N=C1 AC050386 [0,1,0,1,0,0|0,0,0]=2 81 B12R2.24 NC1CCC2=C(C1)C=CC=C2 AC511993 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.24 OC1=CC=C2CCCCC2=C1 AC512165 [0,1,0,1,0,0|2,0,0]=4 83 B12R2.24 OC1CCC2=CC=CC=C2C1 AC220098 [0,1,0,1,0,0|2,0,0]=4 84 B12R2.1081 C1=CC=C2C(=C1)CCCC2N LN00224938 [0,1,0,1,0,0|2,0,0]=4 85 B12R2.1081 CC1CNCC2=C1C=CC=C2 LN00001946 [0,1,0,1,0,0|2,0,0]=4 86 B12R2.1081 CC1CNCC2=CC=CC=C12 LN00245503 [0,1,0,1,0,0|2,0,0]=4 87 B12R2.1081 CC1NCCC2=C1C=CC=C2 AC181112 [0,1,0,1,0,0|2,0,0]=4 88 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 AC020125 [0,1,0,1,0,0|1,0,0]=3 89 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 AC170078 [0,1,0,1,0,0|1,0,0]=3 90 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 AC020124 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.1081 O=C1CCCC2=C1N=CC=C2 AC181728 [0,1,0,1,0,0|1,0,1]=4 92 B12R2.1081 OC1CCCC2=C1C=CC=C2 AC220110 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.1081 OC1CCCC2=C1N=CC=C2 AC182113 [0,1,0,1,0,0|1,0,0]=3 94 B12R2.196 C1CC(C2=C1C(=CC=N2)Cl)O LN00175117 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.196 OC1CCC2=C(Cl)C=CN=C12 AC070070 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.11 CN1C=CN=C1CO AC181151 [1,0,0,0,1,0|2,0,0]=4 97 B8R1.11 CN1N=CN=C1CO AC051196 [1,0,0,0,1,0|2,0,0]=4