0 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.2 CC1=CC=CC(C#N)=N1 HY-W002490 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.2 COC1=CC(O)=CC=C1 HY-Y1840 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.2 COC1=CN=CC(Br)=C1 HY-W007427 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.2 COC1=NC=CC(N)=N1 HY-69014 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.2 NCC1=CC(O)=CC=C1 HY-W069508 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.2 O=CC1=CC(Br)=CN=C1 HY-W003037 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.2 O=CC1=NC(Br)=CC=C1 HY-60194 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.2 OCC1=NC(Br)=CC=C1 HY-32836 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [1,0,0,0,0,0|1,0,2]=4 13 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [1,0,0,0,0,0|0,0,0]=1 14 B8R1.2 COC1=CN=CC=C1 HY-W008119 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.2 COC1=CN=CC=N1 HY-W010562 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.2 ClCC1=NC=CC=N1 HY-52102 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.2 N#CC1=NC=CN=C1 HY-Y0131 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.2 NCC1=CC=CC=C1 HY-76253 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.2 NCC1=NC=CC=N1 HY-60347A [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.4 BrC1=CC=CC(Br)=N1 HY-59162 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.4 BrC1=CN=CC(Br)=C1 HY-Y0491 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [1,0,0,0,0,0|0,0,0]=1 29 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.4 ClC1=CN=CC(Br)=C1 HY-W003165 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.4 ClC1=CN=CC(Cl)=C1 HY-W015627 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.4 NC1=CC(Br)=CN=C1 HY-66052 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.4 NC1=CC=CC(N)=N1 HY-Y0198 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.4 NC1=CN=CC(Cl)=N1 HY-59335 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.4 NC1=NC(Br)=CC=C1 HY-Y1049 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.4 OC1=CN=CC(Br)=C1 HY-66053 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.2 CCC1=CC=CC(C)=C1O HY-W089538 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.10 NCCC1=CC(O)=CC=C1 HY-128975 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.30 CCC1=NC(C)=CC=C1O HY-W002620A [0,1,0,0,0,0|1,0,0]=2 40 B10R1.30 COC1=CC(C)=CC=C1O HY-W040971 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.30 FC1=CC=C(Br)N=C1CBr HY-43727 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.30 N#CC1=NC(Br)=CN=C1Cl HY-Z1112 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 HY-W014915 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 HY-W002593 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.113 CC1=CC=CC(C(=O)O)=N1 HY-W002139 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.172 COC1=CC=CC(OC)=C1 HY-34487 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.172 OCC1=CC=CC(CO)=N1 HY-W017597 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,0,1,0,0,0|3,0,0]=4 49 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,0,0,0,1,0|3,0,0]=4 50 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,0,0,0,1,0|2,0,1]=4 51 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,0,0,0,1,0|2,0,1]=4 52 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,0,0,0,1,0|2,0,0]=3 53 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [1,0,1,0,0,0|2,0,0]=4 54 B7R1.3 CC1=NC=CN=C1 HY-W067358 [2,0,0,0,0,0|0,0,0]=2 55 B7R1.3 ClC1=NC=CN=C1 HY-Y0109 [2,0,0,0,0,0|1,0,0]=3 56 B7R1.3 IC1=CC=CC=N1 HY-W004126 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.3 NC1=NC=CN=C1 HY-34068 [2,0,0,0,0,0|1,0,0]=3 58 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 CCC1=CC=C(O)C=C1 HY-W012836 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.1 COC1=NC=C(Br)C=C1 HY-32756 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.1 COC1=NC=C(N)C=C1 HY-W001994 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.1 OCC1=CC=C(Br)N=C1 HY-W016116 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.1 OCC1=NC=C(Br)C=C1 HY-32837 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.1 OCC1=NC=C(O)C=C1 HY-W007140 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.6 CC(=O)C1=CN=CC=N1 HY-W007692 [1,1,0,0,0,0|0,0,1]=3 66 B9R1.6 CC(N)C1=CC=CC=C1 HY-W012848 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.6 C[C@H](N)C1=CC=CC=C1 HY-75095 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [1,1,0,0,0,0|1,0,1]=4 69 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353 [1,1,0,0,0,0|1,0,1]=4 70 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353R [1,1,0,0,0,0|1,0,1]=4 71 B9R1.8 BrCCC1=CC=CC=C1 HY-Y0199 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.8 CNCC1=CC=CC=C1 HY-W007426 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.8 OCCC1=CC=CC=C1 HY-B1290 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.15 COC1=C(Br)N=CC=C1 HY-W007501 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.15 COC1=NC=CC=C1Br HY-32755 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.3 CC1=CN=CC(F)=C1N HY-W100209 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.69 CC1=C(Br)C=CC(Br)=N1 HY-W003282 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.69 CC1=CC(Br)=CN=C1N HY-75420 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.69 CC1=CN=C(C)C(C)=N1 HY-W010476 [1,1,0,0,0,0|0,0,0]=2 82 B9R1.69 NC1=C(Br)N=C(Br)C=N1 HY-79805 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.7 CN1C=NC(CCN)=C1 HY-W053787 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.21 OCC1=CC=C(CO)O1 HY-W017782 [0,1,0,0,1,0|2,0,0]=4 85 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [0,1,0,0,1,0|1,0,1]=4 86 B11R1.189 COC1=CC=CC(CCN)=C1 HY-41268 [0,2,0,0,0,0|2,0,0]=4 87 B7R1.1 CCN1C=CC=N1 HY-Z1094 [1,0,0,0,1,0|1,0,0]=3 88 B7R1.1 OCC1=CC=CS1 HY-34751 [1,0,0,0,1,0|2,0,0]=4 89 B7R1.1 OCC1=CN=CS1 HY-W012905 [1,0,0,0,1,0|2,0,0]=4 90 B7R1.1 OCC1=CNN=C1 HY-33914 [1,0,0,0,1,0|2,0,0]=4 91 B7R1.1 OCC1=COC=C1 HY-W007708 [1,0,0,0,1,0|2,0,0]=4 92 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [1,0,0,0,1,0|2,0,0]=4 93 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [1,0,0,0,1,0|1,0,0]=3 94 B7R1.2 CN1C=CC(N)=N1 HY-76189 [1,0,0,0,1,0|2,0,0]=4 95 B7R1.4 CC1=CNN=C1C HY-W019334 [1,0,0,0,1,0|1,0,1]=4