0 B9R1.69 CC1=C(N)NC(=O)N=C1 HY-W008091 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.69 CC1=C(N)NC(=O)N=C1 HY-W008091R [0,0,0,0,0,0|1,0,0]=1 2 B9R1.69 CC1=CC(Br)=NC=C1Br HY-W009498 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.69 CC1=CC(Cl)=NC=C1Br HY-W014584 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.69 CC1=CNC(=O)NC1=O HY-W010450 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.69 CC1=NNC(=O)NC1=O HY-136559 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 FC1=CC=C(F)C(Br)=C1 HY-79541 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 NC1=CC=C(F)C(Cl)=C1 HY-Y0680 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 NC1=NC(=O)NC=C1Br HY-W015205 [0,0,0,0,0,0|0,1,2]=3 9 B9R1.69 O=C1C=C(O)C(Cl)=CN1 HY-17469 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.69 O=C1NC=C(Br)C(=O)N1 HY-W001982 [0,0,0,0,0,0|1,1,1]=3 11 B9R1.69 O=C1NC=C(Cl)C(=O)N1 HY-I0959 [0,0,0,0,0,0|1,1,1]=3 12 B9R1.69 O=C1NC=C(F)C(=O)N1 HY-90006 [0,0,0,0,0,0|1,0,1]=2 13 B9R1.69 O=C1NC=C(F)C(=O)N1 HY-90006R [0,0,0,0,0,0|1,0,1]=2 14 B9R1.69 OC1=CC=C(F)C(O)=C1 HY-W003112 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.69 [15NH]1C=C([13CH3])C(=O)[15NH]C1=O HY-W747214 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.3 BrC1=CN=C(I)C=C1 HY-W002668 [1,0,0,0,0,0|2,1,0]=4 17 B8R1.3 BrC1=NC=C(I)C=C1 HY-W003027 [1,0,0,0,0,0|2,1,0]=4 18 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.3 CC1=CN=C(Br)C=C1 HY-W007353 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.3 ClC1=CN=C(Cl)C=C1 HY-W015626 [1,0,0,0,0,0|2,1,0]=4 22 B8R1.3 ClC1=NC=C(Br)C=C1 HY-W002767 [1,0,0,0,0,0|2,1,0]=4 23 B8R1.3 ClC1=NC=C(I)C=C1 HY-W002858 [1,0,0,0,0,0|2,1,0]=4 24 B8R1.3 FC1=NC=C(Br)C=C1 HY-32746 [1,0,0,0,0,0|2,1,0]=4 25 B8R1.3 FC1=NC=C(Br)C=N1 HY-W008137 [1,0,0,0,0,0|1,1,1]=4 26 B8R1.3 FC1=NC=C(I)C=C1 HY-W007531 [1,0,0,0,0,0|2,1,0]=4 27 B8R1.3 NC1=CC=C(F)N=C1 HY-65254 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.3 NC1=CN=C(Br)C=C1 HY-W016849 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.3 NC1=CN=C(Cl)C=C1 HY-W007481 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.3 NC1=NC=C(O)C=N1 HY-W018339 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.3 O=C1C=CC(=O)NN1 HY-59354 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.3 O=C1C=CC(Br)=CN1 HY-59165 [1,0,0,0,0,0|1,1,0]=3 33 B8R1.3 O=C1C=CC(Cl)=CN1 HY-W008822 [1,0,0,0,0,0|1,1,0]=3 34 B8R1.4 BrC1=NC=CC(I)=C1 HY-W008398 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.4 ClC1=CC=NC(Br)=C1 HY-W003129 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.4 ClC1=NC=CC(Br)=C1 HY-32752 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.4 ClC1=NC=CC(I)=C1 HY-32754 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.4 FC1=CC(Br)=NC=C1 HY-W003601 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.4 FC1=NC=CC(Br)=C1 HY-32742 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.4 NC1=CC=CC(N)=N1 HY-Y0198 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.4 NC1=NC(=O)C=CN1 HY-W002272 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.4 NC1=NC(=O)NC=C1 HY-I0626 [1,0,0,0,0,0|0,0,2]=3 46 B8R1.4 NC1=NC(Br)=CC=C1 HY-Y1049 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.4 NC1=NC(Cl)=NC=C1 HY-30139 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.4 NC1=NC=CC(Br)=C1 HY-41000 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.4 NC1=NC=CC(Cl)=C1 HY-60325 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.4 NC1=NC=CC(F)=C1 HY-W005118 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.4 O=C1C=CC=C(O)N1 HY-W036553 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960R [1,0,0,0,0,0|1,0,1]=3 55 B8R1.4 O=C1C=CNC(=S)N1 HY-B0503 [1,0,0,0,0,0|1,1,1]=4 56 B8R1.4 O=C1NC=CC(=S)N1 HY-W010417 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.4 O=[13C]1[13CH]=[13CH][15NH][13C](=O)[15NH]1 HY-I0960S3 [1,0,0,0,0,0|1,0,1]=3 58 B8R1.4 OC1=CC(Cl)=NC=C1 HY-I0304 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.4 OC1=NC=CC(Br)=C1 HY-65036 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.5 FC1=CC=CC=C1I HY-34673 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.5 FC1=CN=CC=C1I HY-W012392 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.5 NC1=C(Cl)C=CN=C1 HY-33868 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.5 NC1=C(I)C=NC=C1 HY-W002945 [1,0,0,0,0,0|1,1,0]=3 64 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.5 NC1=CC=CC=C1I HY-W007318 [1,0,0,0,0,0|2,1,0]=4 67 B8R1.5 NC1=NC=CC=C1I HY-32813 [1,0,0,0,0,0|1,1,1]=4 68 B8R1.5 OC1=C(F)C=CC=C1 HY-41755 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.22 O=C1N=C(O)C(=O)C(O)=N1 HY-W017227 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.22 [2H]C1=C([2H])C(=O)NC(=O)N1 HY-I0960S4 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.22 [2H]C1=NC(=O)NC(N)=C1[2H] HY-I0626S2 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.25 C#CC1=CNC(=O)NC1=O HY-10533 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.25 NC1=C(C=O)C=NC(=O)N1 HY-126181 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.25 O=C1NC=C(CO)C(=O)N1 HY-W004924 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.25 O=CC1=CNC(=O)NC1=O HY-W013644 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.118 NC1=CC(O)=C(F)C=C1F HY-W007272 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.118 O=C1NC(Cl)=C(Cl)C=C1Cl HY-W018171 [0,1,0,0,0,0|2,1,0]=4 78 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,0,0,0,1,0|3,0,0]=4 79 B8R1.18 O=C1C=C(Br)C(=O)N1 HY-W076794 [0,0,0,0,1,0|1,1,0]=3 80 B7R1.3 BrC1=CN=CN=C1 HY-W008017 [2,0,0,0,0,0|0,1,1]=4 81 B7R1.3 IC1=CC=CC=N1 HY-W004126 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.3 N=C1N=NC=CN1 HY-W004843 [2,0,0,0,0,0|2,0,0]=4 83 B7R1.3 NC1=CN=CN=C1 HY-60351 [2,0,0,0,0,0|1,0,1]=4 84 B7R1.3 NC1=NC=CC=N1 HY-41340 [2,0,0,0,0,0|1,0,1]=4 85 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [2,0,0,0,0,0|1,0,0]=3 86 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.1 N#CC1=NC=C(F)C=C1 HY-34656 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.1 O=CC1=CC=C(F)C=C1 HY-Y0197 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.2 COC1=NC=CC(N)=N1 HY-69014 [1,1,0,0,0,0|0,0,2]=4 90 B9R1.2 NCC1=CC(Cl)=NC=C1 HY-101771A [1,1,0,0,0,0|2,0,0]=4 91 B9R1.34 CC1=CC(=O)NC(=O)N1 HY-Y1125 [1,1,0,0,0,0|1,0,1]=4 92 B9R1.34 NC1=CC(=O)N=C(N)N1 HY-100954 [1,1,0,0,0,0|1,0,0]=3 93 B9R1.34 NC1=CC(=O)NC(=S)N1 HY-75601A [1,1,0,0,0,0|0,1,1]=4 94 B9R1.34 NC1=NC(Cl)=NC(Cl)=C1 HY-W018744 [1,1,0,0,0,0|1,0,1]=4 95 B9R1.34 O=C1N=C(Cl)NC(=O)N1 HY-65092 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.37 O=C1NC(=O)C(Br)=C1Br HY-W004756 [0,1,0,0,1,0|1,1,0]=4 97 B11R1.166 NC1=C([N+](=O)[O-])C=CC(=O)N1 HY-50071 [0,2,0,0,0,0|2,0,0]=4 98 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [1,0,0,0,1,0|2,0,0]=4