0 B8R1.7 CC(=O)C1=NC=CN1 4040695 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.7 CC(=O)C1=NC=NN1 4040504 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 CC(C)C1=NNC=N1 4035762 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 CC(N)C1=CC=CS1 4100658 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 CC(N)C1=NC=CN1 4040236 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.7 CC(N)C1=NC=CS1 2102323 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.7 CC(N)C1=NC=NN1 2102313 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 CS(=O)C1=NNC=N1 4110661 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 N=C(N)C1=CC=CO1 4030998 [0,0,0,0,0,0|3,1,0]=4 9 B8R1.7 N=C(N)C1=CNC=N1 4058485 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.7 NC(=S)C1=NOC=N1 4016419 [0,0,0,0,0,0|3,1,0]=4 11 B8R1.7 O=C(O)C1=CC=NS1 4031031 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 O=C(O)C1=CSC=N1 2402329 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 O=C(O)C1=NNC=C1 3001705 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.7 O=C(O)C1=NOC=C1 2402252 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.7 O=C(O)C1=NON=C1 4401609 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 BrCC1=NC=CS1 4044498 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.1 CCC1=NNC=C1 4042936 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 CCC1=NNC=N1 4034840 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 ClCC1=NC=CS1 4016914 [1,0,0,0,0,0|1,0,1]=3 20 B7R1.1 NCC1=NC=CN1 4087964 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.1 NCC1=NC=CN1 4101394 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.1 NCC1=NC=CS1 2102321 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.11 CCC(N)C1=CC=CS1 4089935 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.11 CCC(N)C1=CC=CS1 4101664 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.11 CCC(N)C1=NC=CS1 4006224 [0,1,0,0,0,0|1,0,1]=3 26 B9R1.11 CNC(C)C1=CC=CS1 4088898 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.11 CNC(C)C1=CC=CS1 4100659 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.11 COC(=O)C1=NNC=C1 4027720 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.19 CC(C)(C)C1=NC=CN1 4039818 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.19 CS(=O)(=O)C1=NNC=N1 4027696 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.35 CC(=O)C1=CN=C(N)O1 4043735 [0,1,0,0,0,0|2,1,0]=4 33 B9R1.35 CC(=O)C1=NC(C)=CN1 4041054 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.35 CC(C)C1=NC=C(Br)N1 4042592 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.35 CC(C)C1=NN=C(Br)S1 4045726 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.35 CC(C)C1=NN=C(N)S1 4029288 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.35 CC(C)C1=NN=C(O)S1 4044929 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.35 CC(N)C1=NN=C(N)S1 4041302 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.35 CC(N)C1=NN=C(N)S1 4089328 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.35 CC1=CNC(C(C)N)=N1 4101885 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.35 CC1=CSC(C(C)N)=N1 4087959 [0,1,0,0,0,0|1,0,1]=3 43 B9R1.35 CC1=CSC(C(C)N)=N1 4101074 [0,1,0,0,0,0|1,0,1]=3 44 B9R1.35 CC1=NC(C(=O)O)=CN1 4018371 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.35 CC1=NC(C(=O)O)=CS1 4087997 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.35 CC1=NC(C(=O)O)=CS1 4400182 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.35 CC1=NN=C(C(=O)[O-])O1 4401406 [0,1,0,0,0,0|2,1,0]=4 48 B9R1.35 CN1C=CC(C(=O)O)=N1 4401286 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.35 CN1C=NC(C(=O)O)=N1 4110445 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.35 NC(=O)C1=CC(Br)=CS1 9071903 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [0,1,0,0,0,0|2,1,0]=4 52 B9R1.35 NC(=O)C1=CC=C(Br)S1 6131131 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.35 NC(=O)C1=NC(Br)=NN1 4039970 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.35 NC(=O)C1=NC(Cl)=NN1 4040265 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.35 NC(=O)C1=NC(N)=NN1 4040714 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.35 NC(=O)C1=NNC(N)=C1 4036122 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.35 NC1=CC(C(=O)O)=NN1 4016158 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.35 O=C(O)C1=CC(Br)=CN1 4029556 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.35 O=C(O)C1=CC=C(Br)S1 3001713 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [0,1,0,0,0,0|2,1,0]=4 62 B9R1.35 O=C(O)C1=CC=C(Cl)S1 3002594 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.35 O=C(O)C1=NNC(Br)=N1 4103273 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.35 O=C(O)C1=NNC(Cl)=N1 4013433 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.35 O=C1NN=C(C(=O)O)N1 2402302 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.41 CC(=O)C1=C(C)N=CS1 4006179 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.41 CC(=O)C1=CC=NN1C 4030373 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.41 CC(=O)C1=NC=NN1C 4026611 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.41 CC(=O)C1=NON=C1C 4031228 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.41 CC1=C(C(=O)O)N=CN1 4108169 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.41 CC1=C(C(=O)O)N=CN1 4402344 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.41 CC1=C(C(=O)O)N=CO1 4015603 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.41 CC1=C(C(=O)O)SC=N1 4402151 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.41 CN1N=CN=C1C(=O)O 4027955 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.41 NC1=CSN=C1C(=O)O 4108475 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.41 O=C(O)C1=NNC=C1Cl 4029915 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.6 N=C(N)C1=NC=CC=N1 4043543 [0,0,0,0,0,1|3,0,0]=4 78 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [0,0,0,0,0,1|2,1,0]=4 79 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [0,0,0,0,0,1|1,0,0]=2 80 B9R1.13 CC(=O)CN1C=CC=N1 4027130 [0,0,0,0,0,1|2,0,0]=3 81 B9R1.13 CC(=O)CN1C=NC=N1 4001637 [0,0,0,0,0,1|3,0,0]=4 82 B9R1.13 CC(=O)CN1C=NC=N1 4089126 [0,0,0,0,0,1|3,0,0]=4 83 B9R1.13 CC(C)CC1=NC=CN1 4039941 [0,0,0,0,0,1|2,0,1]=4 84 B9R1.13 O=C(O)CC1=CSC=N1 2402341 [0,0,0,0,0,1|3,0,0]=4 85 B9R1.13 O=C(O)CN1C=CC=N1 2402291 [0,0,0,0,0,1|3,0,0]=4 86 B9R1.13 O=C(O)CN1N=CC=N1 4030596 [0,0,0,0,0,1|3,0,0]=4 87 B6R1.2 BrC1=NC=CO1 4039122 [2,0,0,0,0,0|1,1,0]=4 88 B6R1.2 CC1=NNC=N1 4035655 [2,0,0,0,0,0|2,0,0]=4 89 B6R1.2 ClC1=NN=CS1 4044890 [2,0,0,0,0,0|2,0,0]=4 90 B6R1.2 O=C1NC=CN1 4029600 [2,0,0,0,0,0|1,0,1]=4 91 B6R1.2 OC1=NN=CS1 4044252 [2,0,0,0,0,0|1,0,1]=4 92 B8R1.1 CC1=CC(C=O)=NN1 4002200 [1,1,0,0,0,0|2,0,0]=4 93 B8R1.1 CC1=CC=C(C=O)N1 4036670 [1,1,0,0,0,0|1,0,1]=4 94 B8R1.1 CC1=CNC(C=O)=N1 4301882 [1,1,0,0,0,0|1,0,0]=3 95 B8R1.1 CC1=CSC(CCl)=N1 4016915 [1,1,0,0,0,0|1,0,1]=4 96 B8R1.1 CC1=CSC(CN)=N1 4088048 [1,1,0,0,0,0|1,0,1]=4 97 B8R1.1 CC1=CSC(CN)=N1 4101545 [1,1,0,0,0,0|1,0,1]=4 98 B8R1.1 CC1=CSC(CO)=N1 4021474 [1,1,0,0,0,0|0,0,2]=4 99 B8R1.1 CC1=CSC(CO)=N1 4089181 [1,1,0,0,0,0|0,0,2]=4 100 B8R1.1 CC1=CSC(NN)=N1 4028078 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.1 CCC1=NN=C(Cl)S1 4044569 [1,1,0,0,0,0|1,0,1]=4 102 B8R1.1 CCC1=NN=C(O)S1 4044155 [1,1,0,0,0,0|1,0,1]=4 103 B8R1.1 COC1=NN=C(N)S1 4044897 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.1 COC1=NN=C(O)S1 4043908 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.1 O=CC1=CC(Br)=CN1 4004367 [1,1,0,0,0,0|1,0,1]=4 106 B8R1.8 CNCC1=CC=CS1 4100657 [1,1,0,0,0,0|1,0,1]=4 107 B8R1.8 CNCC1=NC=CN1 4101395 [1,1,0,0,0,0|1,0,1]=4 108 B8R1.8 CNCC1=NC=CS1 2102322 [1,1,0,0,0,0|0,0,1]=3 109 B8R1.8 ClCCC1=NC=CN1 4045713 [1,1,0,0,0,0|1,0,1]=4 110 B8R1.8 NCCC1=NC=CN1 4013124 [1,1,0,0,0,0|1,0,1]=4 111 B8R1.8 NCCC1=NC=CS1 4100726 [1,1,0,0,0,0|0,0,1]=3 112 B8R1.11 CC1=C(C=O)SC=N1 3001799 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [0,1,0,0,0,1|1,0,0]=3 114 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [0,1,0,0,0,1|1,0,0]=3 115 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [0,1,0,0,0,1|1,0,1]=4 116 B10R1.61 O=C(O)C1=C(O)N=CC=N1 4031675 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.61 O=C(O)C1=C(S)N=CC=C1 3001563 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 4031737 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.113 CC1=NC(C(=O)O)=CC=N1 4029632 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.113 NC(=O)C1=CN=CC(O)=C1 5511865 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.113 NC(=O)C1=NC(Cl)=CN=C1 4035919 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 4028732 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.27 CCC(=O)CC1=CC=CO1 4027298 [0,1,0,0,0,1|1,1,0]=4 124 B10R1.27 NCC(=O)NC1=NC=CS1 4030340 [0,1,0,0,0,1|0,0,0]=2 125 B10R1.27 NNC(=O)CC1=CC=CS1 3015007 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.27 O=C(CCl)NC1=NC=CS1 3006559 [0,1,0,0,0,1|0,0,0]=2 127 B10R1.27 O=C(CCl)NC1=NCCS1 4028937 [0,1,0,0,0,1|0,0,2]=4 128 B10R1.27 O=C(CCl)NC1=NN=CS1 3015667 [0,1,0,0,0,1|1,0,0]=3 129 B10R1.54 CC(=O)CC1=NC(C)=NO1 4002241 [0,1,0,0,0,1|1,1,0]=4 130 B10R1.11 CCOC(=O)C1=NC=NN1 4085350 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.14 CC1=CSC(C(C)CN)=N1 4033584 [0,2,0,0,0,0|1,0,1]=4 132 B10R1.14 CCC(=O)C1=CC=C(Br)S1 4303054 [0,2,0,0,0,0|1,0,0]=3 133 B10R1.14 CCC(=O)C1=CC=C(C)S1 4303052 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.14 CNC(=O)C1=CC=C(Br)O1 7344619 [0,2,0,0,0,0|1,1,0]=4 135 B10R1.14 CNC(=O)C1=CC=C(Br)S1 9071495 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.14 CNC(=O)C1=NC(Br)=NN1 4044613 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.14 CNC(=O)C1=NC(Cl)=NN1 4042603 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.14 CNC(=O)C1=NC(N)=NN1 4042738 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.14 CNC(=O)C1=NNC(N)=C1 4035118 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.14 COC(=O)C1=NC(Br)=NN1 4035137 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.14 COC(=O)C1=NC(Cl)=NN1 4035581 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.14 COC(=O)C1=NNC(=O)N1 4043024 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.14 COC(=O)C1=NNC(N)=C1 4040251 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.149 CC1=C(C(=O)NN)SC=C1 4033736 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.149 CCC(=O)C1=NC=NN1C 4026613 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.149 CN1C=CN=C1C(=O)NN 4031467 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.149 CNC(=O)C1=C(N)C=CS1 4035467 [0,2,0,0,0,0|1,0,0]=3 148 B10R1.149 COC(=O)C1=C(C)NC=N1 4108201 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.55 CS(=O)(=O)C1=NN=C(N)S1 4041595 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.31 CC(=O)C1=CC(CCl)=CS1 4003189 [0,2,0,0,0,0|1,0,0]=3 151 B10R1.31 CCC1=CC=C(C(=O)O)S1 4402392 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.31 CN(C)C1=NC(CN)=CS1 4012021 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.31 NCC1=CC=C(C(=O)O)S1 4003254 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.58 CC1=C(Br)SC(N(C)C)=N1 4042628 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 5107408 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.58 CC1=C(C)SC(C(C)N)=N1 4034590 [0,2,0,0,0,0|1,0,1]=4 157 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4028825 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 4088023 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 9072017 [0,2,0,0,0,0|2,0,0]=4 160 B8R1.5 CC1=NC=CN=C1Br 4002958 [0,0,1,1,0,0|2,0,0]=4 161 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,0,0,0,0,2|1,0,0]=3 162 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,0,0,0,0,2|1,0,0]=3 163 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [0,0,0,0,0,2|1,0,0]=3 164 B10R1.66 CC(=O)CCN1C=CC=N1 4033649 [0,0,0,0,0,2|2,0,0]=4 165 B10R1.66 O=C(O)\C=C\C1=CC=CS1 3002329 [0,0,0,0,0,2|2,0,0]=4