0 B8R1.4 BrC1=CC=CC(Br)=N1 HY-59162 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.4 BrC1=CC=CC(I)=C1 HY-32149 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.4 BrC1=CN=CC(Br)=C1 HY-Y0491 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [0,0,0,0,0,0|0,0,0]=0 8 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.4 ClC1=CN=CC(Br)=C1 HY-W003165 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 ClC1=CN=CC(Cl)=C1 HY-W015627 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.4 NC1=CC(Br)=CN=C1 HY-66052 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.4 NC1=CC=CC(N)=N1 HY-Y0198 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.4 NC1=CN=CC(Cl)=N1 HY-59335 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.4 NC1=NC(=O)C=CN1 HY-W002272 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.4 NC1=NC(=O)NC=C1 HY-I0626 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.4 NC1=NC(Br)=CC=C1 HY-Y1049 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.4 NC1=NC(Cl)=NC=C1 HY-30139 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.4 O=C1C=CC=C(O)N1 HY-W036553 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.4 OC1=CC=CC(I)=C1 HY-W007364 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.4 OC1=CN=CC(Br)=C1 HY-66053 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.3 BrC1=CN=CN=C1 HY-W008017 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.3 CC1=NC=CN=C1 HY-W067358 [1,0,0,0,0,0|0,0,0]=1 23 B7R1.3 ClC1=NC=CN=C1 HY-Y0109 [1,0,0,0,0,0|1,0,0]=2 24 B7R1.3 IC1=CC=CC=C1 HY-Y0747 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.3 IC1=CC=CC=N1 HY-W004126 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 N=C1N=NC=CN1 HY-W004843 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.3 NC1=CN=CN=C1 HY-60351 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.3 NC1=NC=CC=N1 HY-41340 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.3 NC1=NC=CN=C1 HY-34068 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.2 CC1=CC=CC(C#N)=N1 HY-W002490 [0,1,0,0,0,0|1,0,1]=3 34 B9R1.2 COC1=CC(O)=CC=C1 HY-Y1840 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.2 COC1=CN=CC(Br)=C1 HY-W007427 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.2 COC1=NC=CC(N)=N1 HY-69014 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.2 NCC1=CC(O)=CC=C1 HY-W069508 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.2 O=CC1=CC(Br)=CN=C1 HY-W003037 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.2 O=CC1=NC(Br)=CC=C1 HY-60194 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.2 OCC1=NC(Br)=CC=C1 HY-32836 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.3 CC1=C(O)C(O)=CC=C1 HY-W012815 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.3 CC1=CN=CC(F)=C1N HY-W100209 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.3 ClC1=CN=CC(Cl)=C1Cl HY-W016371 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.34 CC1=CC(Br)=CC(Br)=C1 HY-W011934 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.34 CC1=CC(O)=CC(O)=C1 HY-D0168 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.34 ClC1=CC(Cl)=NC(Cl)=C1 HY-W002718 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.34 ClC1=CC(I)=CC(Cl)=N1 HY-41945 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.69 CC1=C(Br)C=CC(Br)=N1 HY-W003282 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.69 CC1=CC(Br)=C(O)C=C1 HY-W016153 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.69 CC1=CC(Br)=CN=C1N HY-75420 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.69 CC1=CC(Br)=CNC1=O HY-75423 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.69 CC1=CC(O)=C(O)C=C1 HY-W012814 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.69 CC1=CC(O)=CC=C1N HY-W012824 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.69 CC1=CC(O)=CC=C1O HY-W012817 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.69 CC1=CN=C(C)C(C)=N1 HY-W010476 [0,1,0,0,0,0|0,0,0]=1 59 B9R1.69 CC1=NC=C(Br)C=C1N HY-W003575 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 HY-W001198 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.69 NC1=C(Br)C=C(F)C=N1 HY-W010023 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.69 NC1=C(Br)N=C(Br)C=N1 HY-79805 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.69 NC1=CC(Br)=CN=C1Cl HY-32828 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.69 NC1=CC=C(Cl)N=C1Cl HY-W002136 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,0,1,0,0,0|3,0,0]=4 67 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [0,0,1,0,0,0|3,0,0]=4 68 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [0,0,1,0,0,0|3,0,0]=4 69 B7R1.2 BrC1=CN=C(Br)S1 HY-69360 [0,0,0,0,1,0|3,0,0]=4 70 B7R1.2 BrC1=CSC(Br)=N1 HY-59304 [0,0,0,0,1,0|3,0,0]=4 71 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,0,0,0,1,0|3,0,0]=4 72 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,0,0,0,1,0|3,0,0]=4 73 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,0,1,0|2,0,1]=4 74 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [0,0,0,0,1,0|2,0,0]=3 75 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,0,0,0,1,0|1,0,0]=2 76 B7R1.2 CN1C=CC(N)=N1 HY-76189 [0,0,0,0,1,0|2,0,0]=3 77 B7R1.2 NC1=NC=C(Br)S1 HY-59343 [0,0,0,0,1,0|3,0,0]=4 78 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,0,0,0,1,0|2,0,1]=4 79 B7R1.4 BrC1=CSC=C1Br HY-20022 [0,0,0,0,1,0|3,0,0]=4 80 B7R1.4 CC1=CNN=C1C HY-W019334 [0,0,0,0,1,0|1,0,1]=3 81 B6R1.1 C1=CC=NN=C1 HY-W007494 [2,0,0,0,0,0|2,0,0]=4 82 B6R1.1 C1=CN=CC=N1 HY-W013040 [2,0,0,0,0,0|0,0,0]=2 83 B6R1.1 C1=CN=CN=C1 HY-Y0519 [2,0,0,0,0,0|2,0,0]=4 84 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,1,1,0,0,0|2,0,0]=4 85 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [1,1,0,0,0,0|1,0,0]=3 86 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [1,1,0,0,0,0|1,0,1]=4 87 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [1,1,0,0,0,0|0,0,0]=2 88 B8R1.2 COC1=CN=CC=C1 HY-W008119 [1,1,0,0,0,0|1,0,0]=3 89 B8R1.2 COC1=CN=CC=N1 HY-W010562 [1,1,0,0,0,0|0,0,0]=2 90 B8R1.2 ClCC1=NC=CC=N1 HY-52102 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.2 N#CC1=NC=CN=C1 HY-Y0131 [1,1,0,0,0,0|0,0,1]=3 92 B8R1.2 NCC1=CC=CC=C1 HY-76253 [1,1,0,0,0,0|2,0,0]=4 93 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [1,1,0,0,0,0|1,0,0]=3 94 B8R1.2 NCC1=NC=CC=N1 HY-60347A [1,1,0,0,0,0|2,0,0]=4 95 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [1,1,0,0,0,0|2,0,0]=4 98 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [1,1,0,0,0,0|1,0,0]=3 99 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [1,1,0,0,0,0|1,0,0]=3 100 B8R1.3 BrC1=CN=C(I)C=C1 HY-W002668 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.3 BrC1=NC=C(I)C=C1 HY-W003027 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [1,1,0,0,0,0|1,0,0]=3 103 B8R1.3 CC1=CN=C(Br)C=C1 HY-W007353 [1,1,0,0,0,0|1,0,0]=3 104 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [1,1,0,0,0,0|0,0,0]=2 105 B8R1.3 CC1=CN=C(N)C=N1 HY-65255 [1,1,0,0,0,0|0,0,0]=2 106 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [1,1,0,0,0,0|1,0,1]=4 107 B8R1.3 CC1=NN=C(Cl)C=C1 HY-W001297 [1,1,0,0,0,0|2,0,0]=4 108 B8R1.3 ClC1=CN=C(Cl)C=C1 HY-W015626 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.3 ClC1=NC=C(Br)C=C1 HY-W002767 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.3 ClC1=NC=C(I)C=C1 HY-W002858 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.3 FC1=NC=C(Br)C=C1 HY-32746 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.3 FC1=NC=C(I)C=C1 HY-W007531 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.3 NC1=CC=C(F)N=C1 HY-65254 [1,1,0,0,0,0|2,0,0]=4 114 B8R1.3 NC1=CN=C(Br)C=C1 HY-W016849 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.3 NC1=CN=C(Cl)C=C1 HY-W007481 [1,1,0,0,0,0|2,0,0]=4 116 B8R1.3 NC1=NC=C(Br)N=C1 HY-59261 [1,1,0,0,0,0|1,0,0]=3 117 B8R1.5 CC1=C(Br)N=CC=C1 HY-W007712 [1,1,0,0,0,0|1,0,0]=3 118 B8R1.5 CC1=C(C)N=CC=N1 HY-W015914 [1,1,0,0,0,0|0,0,0]=2 119 B8R1.5 CC1=NC=CC=C1Br HY-W002494 [1,1,0,0,0,0|1,0,0]=3 120 B8R1.5 CC1=NC=CC=C1O HY-W002339 [1,1,0,0,0,0|1,0,0]=3 121 B8R1.5 ClC1=C(Br)N=CC=C1 HY-W007662 [1,1,0,0,0,0|2,0,0]=4 122 B8R1.5 ClC1=C(Cl)N=CC=C1 HY-W012591 [1,1,0,0,0,0|2,0,0]=4 123 B8R1.5 ClC1=NC=CC=C1Br HY-32751 [1,1,0,0,0,0|2,0,0]=4 124 B8R1.5 ClC1=NC=CC=C1I HY-32753 [1,1,0,0,0,0|2,0,0]=4 125 B8R1.5 FC1=CN=CC=C1I HY-W012392 [1,1,0,0,0,0|2,0,0]=4 126 B8R1.5 NC1=C(Cl)C=CN=C1 HY-33868 [1,1,0,0,0,0|2,0,0]=4 127 B8R1.5 NC1=C(Cl)N=CC=N1 HY-W007499 [1,1,0,0,0,0|1,0,0]=3 128 B8R1.5 NC1=C(I)C=NC=C1 HY-W002945 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [1,1,0,0,0,0|2,0,0]=4 130 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [1,1,0,0,0,0|2,0,0]=4 131 B8R1.5 NC1=CC=CN=C1Br HY-66051 [1,1,0,0,0,0|2,0,0]=4 132 B8R1.5 NC1=CC=CN=C1Cl HY-Y0244 [1,1,0,0,0,0|2,0,0]=4 133 B8R1.5 NC1=NC=CC=C1I HY-32813 [1,1,0,0,0,0|2,0,0]=4 134 B8R1.5 OC1=CC=CN=C1Br HY-20026 [1,1,0,0,0,0|2,0,0]=4 135 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [1,1,0,0,0,0|2,0,0]=4 136 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,1,0,0,1,0|2,0,0]=4 137 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,0,1,0|1,0,1]=4 138 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,0,1,0|1,0,1]=4 139 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,1,0,0,1,0|1,0,0]=3 140 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,0,1,0|1,0,1]=4 141 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [0,1,0,0,1,0|1,0,0]=3 142 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [0,1,0,0,1,0|1,0,0]=3 143 B8R1.50 CC1=NNC(C)=C1Br HY-W016754 [0,1,0,0,1,0|2,0,0]=4 144 B10R1.2 CCC1=CC=CC(C)=C1O HY-W089538 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.8 CC1=CC(C)=CC(C#N)=C1 HY-Z0422 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.8 CC1=CC(C)=CC(C=O)=C1 HY-W002343 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.30 CCC1=NC(C)=CC=C1O HY-W002620A [0,2,0,0,0,0|1,0,0]=3 148 B10R1.30 COC1=CC(C)=CC=C1O HY-W040971 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.30 FC1=CC=C(Br)N=C1CBr HY-43727 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.30 N#CC1=NC(Br)=CN=C1Cl HY-Z1112 [0,2,0,0,0,0|1,0,1]=4 151 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 HY-W014915 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 HY-W002593 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.113 CC1=CC=CC(C(=O)O)=N1 HY-W002139 [0,2,0,0,0,0|1,0,1]=4 154 B10R1.172 COC1=CC=CC(OC)=C1 HY-34487 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.172 OCC1=CC=CC(CO)=N1 HY-W017597 [0,2,0,0,0,0|1,0,0]=3 156 B10R1.22 CC1=CC(=O)C=C(C)C1=O HY-W015816 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.22 CC1=CC(C)=C(C)C(O)=C1 HY-W015812 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HY-W038786 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.22 CC1=CC(O)=CC(C)=C1Cl HY-B1414 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.22 CC1=CC(O)=CC(C)=C1O HY-W004874 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.119 CC1=C(C)C(C)=C(C)C=C1 HY-W006416 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.118 CC1=NC(C)=C(C)N=C1C HY-N0264 [0,2,0,0,0,0|0,0,0]=2 163 B10R1.118 CC1=NC(C)=C(C)N=C1C HY-N0935 [0,2,0,0,0,0|0,0,0]=2 164 B10R1.118 [2H]C1=NC([2H])=C([2H])N=C1[2H] HY-W013040S [0,2,0,0,0,0|2,0,0]=4 165 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [0,0,1,1,0,0|2,0,0]=4 166 B6R1.2 BrC1=CNC=N1 HY-W002226 [1,0,0,0,1,0|1,0,1]=4 167 B6R1.2 BrC1=CNN=C1 HY-78243 [1,0,0,0,1,0|2,0,0]=4 168 B6R1.2 BrC1=CSC=C1 HY-59299 [1,0,0,0,1,0|2,0,0]=4 169 B6R1.2 BrC1=NC=CS1 HY-W001223 [1,0,0,0,1,0|2,0,0]=4 170 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,0,1,0|1,0,0]=3 171 B6R1.2 CC1=CNN=C1 HY-B0876A [1,0,0,0,1,0|1,0,0]=3 172 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,0,1,0|1,0,0]=3 173 B6R1.2 CN1C=CN=C1 HY-59137 [1,0,0,0,1,0|1,0,0]=3 174 B6R1.2 IC1=CN=CN1 HY-W002802 [1,0,0,0,1,0|1,0,1]=4 175 B6R1.2 NC1=NC=CN1 HY-W062216 [1,0,0,0,1,0|1,0,1]=4 176 B6R1.2 NC1=NC=CS1 HY-12396 [1,0,0,0,1,0|2,0,0]=4 177 B6R1.2 NC1=NNC=N1 HY-W027592 [1,0,0,0,1,0|2,0,0]=4 178 B6R1.2 NC1=NOC=C1 HY-W007329 [1,0,0,0,1,0|2,0,0]=4