0 B10R1.13 C=C(C)C1=CC=C(C)C=C1 DY790917 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.13 CC(=O)C1=CC=C(C)C=C1 NO13558 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.13 CC(=O)C1=CC=C(C)N=N1 DY112296 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 CC(=O)C1=CN=C(C)C=C1 DY428167 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.13 CC(=O)C1CC=C(C)CC1 NO14813 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.13 CC(Br)C1=CC=C(F)C=C1 NO16140 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.13 CC(C)C1=CC=C(Br)C=C1 NO19162 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.13 CC(C)C1=CC=C(Cl)N=N1 NO15951 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC(C)C1=CC=C(F)C=C1 DY584364 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.13 CC(C)C1=CC=C(N)C=C1 NO22915 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.13 CC(C)C1=CC=C(N)C=N1 NO22406 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 CC(C)C1=CC=C(N)N=N1 DY736754 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 CC(C)C1=CC=C(O)C=C1 DY583593 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 DY113225 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.13 CC(C)C1=CN=C(N)C=C1 NO21752 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.13 CC(C)C1=NC=C(N)C=N1 DY586310 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 CC(C)N1CCC(=O)CC1 DY559023 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.13 CC(N)C1=CC=C(F)C=C1 DY40832 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.13 CC(N)C1=CC=C(N)C=C1 NO22422 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.13 CC(O)C1=CC=C(Br)C=C1 DY448036 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 DY549597 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.13 CC(O)C1=NC=C(Br)C=C1 DY446891 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.13 CC1=CC=C([C@@H](C)N)C=N1 DY716654 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 DY545757 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.13 CC1=CN=C(C(C)N)C=C1 DY577449 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 DY511971 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.13 CC1CCC(C(C)C)CC1 DY822415 [0,0,0,0,0,0|0,0,4]=4 27 B10R1.13 CC1CCC(C(C)C)CC1 DY822416 [0,0,0,0,0,0|0,0,4]=4 28 B10R1.13 CN(C)C1=CC=C(Br)C=C1 NO15132 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.13 CN(C)C1=CC=C(Br)N=C1 NO17769 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 DY20289 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.13 CN(C)C1=CC=C(Cl)N=N1 DY568605 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.13 CN(C)C1=CC=C(O)C=C1 NO16528 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.13 CN(C)C1=NC=C(I)C=C1 NO16969 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 NO20256 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 DY565797 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.13 C[C@@H](N)C1=NC=C(Br)C=C1 DY621591 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.13 C[C@H](N)C1=CC=C(Br)N=C1 DY651938 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 DY554067 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 DY541875 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 NO16980 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.13 Cc1ccc(C(C)C)cc1 DY444976 [0,0,0,0,0,0|0,0,2]=2 42 B9R1.1 CC1=CC=C(CBr)C=C1 NO22969 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.1 CC1=CC=C(CCl)C=C1 DY40603 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.1 CC1=CC=C(CN)C=C1 NO22970 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.1 CC1=CC=C(CN)N=N1 DY100078 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 CC1=CC=C(CO)C=C1 NO19704 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.1 CC1=CC=C(CO)C=N1 DY21041 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.1 CC1=CN=C(CN)C=C1 DY711847 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 CC1=CN=C(CN)C=C1 NO18319 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.1 CC1=NC=C(CCl)C=C1 DY585961 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 CCC1=CC=C(Br)C=C1 NO10865 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.1 CCC1=CC=C(Cl)C=C1 DY584444 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.1 CCC1=CC=C(F)C=C1 DY20965 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.1 CCC1=CC=C(I)C=C1 DY20189 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.1 CCC1=CC=C(N)C=N1 DY515529 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.1 CCC1=CC=C(O)C=C1 DY20188 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.1 CCC1=CN=C(Br)C=C1 NO13124 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.1 CCC1=CN=C(C)C=C1 DY20566 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.1 CCC1=CN=C(N)C=C1 DY585943 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.1 CCC1=NC=C(Br)C=C1 NO12376 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.1 CCC1=NC=C(C)N=C1 DY710647 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.1 COC1=NC=C(C)C=C1 NO21644 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 CC(C)C1=NC=CC=C1 NO21621 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.6 CC(N)C1=CC=CC=C1 DY457042 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.6 CC(N)C1=CC=CN=N1 DY526767 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 CC(O)C1=NC=CC=C1 NO20801 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY553203 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY621669 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.6 C[C@@H](O)C1=NC=CC=C1 DY20310 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.6 C[C@H](N)C1=CC=CN=C1 DY546027 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.6 C[C@H](N)C1=NC=CC=C1 NO15370 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.6 C[C@H](O)C1=CC=CN=N1 DY586498 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.3 CC(C)C1=CC=C(CBr)C=C1 NO14001 [0,1,0,0,0,0|0,0,2]=3 75 B11R1.3 CC(C)C1=NC=C(C#N)C=C1 DY447407 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.3 CC(N)C1=CC=C(CO)C=C1 DY554631 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.3 CCC1=CC=C(C(C)O)C=C1 DY456730 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.3 CN(C)C1=CC=C(CN)C=C1 DY549927 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.3 CN(C)C1=CC=C(CN)N=C1 DY660543 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.3 CN(C)C1=CC=C(CO)C=C1 DY530991 [0,1,0,0,0,0|1,0,2]=4 81 B11R1.3 COC1=CC=C(N(C)C)C=C1 DY20811 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 NO13954 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.3 COC1=CC=C([C@@H](C)N)C=N1 DY621627 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 DY623711 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 DY20521 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 NO19038 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 NO20810 [0,1,0,0,0,0|1,0,2]=4 88 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 NO16411 [0,1,0,0,0,0|1,0,2]=4 89 B11R1.19 CC(C)(C)C1=CC=C(O)C=N1 DY567285 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.19 CC(C)(F)C1=CN=C(Br)C=C1 DY711115 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 DY789711 [0,1,0,0,0,0|1,0,2]=4 92 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 NO14403 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 DY21168 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.19 CC(C)(O)C1=NC=C(Br)C=C1 NO16019 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.19 CC(C)(O)C1=NC=C(Cl)C=C1 DY711187 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.21 CC1=C(Br)C=C(N(C)C)C=C1 DY451030 [0,1,0,0,0,0|1,0,2]=4 97 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 DY623686 [0,1,0,0,0,0|1,0,2]=4 98 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 DY20541 [0,1,0,0,0,0|0,0,2]=3 99 B11R1.22 CC(CO)C1=CC=C(Br)C=C1 DY454677 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 NO18281 [0,1,0,0,0,0|1,0,2]=4 101 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 DY621657 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.22 C[C@H](CO)C1=CC=C(F)C=C1 DY624193 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.166 CC(C)C1=C(I)C=C(Cl)C=C1 DY450586 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.166 CC1CCC(C(C)C)C(=O)C1 DY503955 [0,1,0,0,0,0|0,0,3]=4 105 B11R1.220 CC1=CCC(O)(C(C)C)CC1 DY560595 [0,1,0,0,0,0|0,0,2]=3 106 B9R0.7 CC(C)C(=O)CCN(C)C DY793521 [0,0,1,0,0,0|2,0,1]=4 107 B11R2.34 BrC1=CC=C(C2CC2)C=C1 NO22811 [0,0,0,1,0,0|1,0,2]=4 108 B11R2.34 BrC1=CC=C(C2CC2)N=N1 DY736454 [0,0,0,1,0,0|3,0,0]=4 109 B11R2.34 BrC1=CN=C(C2CC2)C=C1 DY561543 [0,0,0,1,0,0|2,0,1]=4 110 B11R2.34 CC1=CC=C(C2CC2)C=C1 DY789057 [0,0,0,1,0,0|0,0,2]=3 111 B11R2.34 NC1=CC=C(C2CC2)C=C1 DY548169 [0,0,0,1,0,0|1,0,2]=4 112 B11R2.34 NC1=CC=C(C2CC2)C=C1 NO17100 [0,0,0,1,0,0|1,0,2]=4 113 B11R2.34 O=C1C=CC(C2CC2)=NN1 DY508664 [0,0,0,1,0,0|3,0,0]=4 114 B11R2.34 OC1=NC=C(C2CC2)C=C1 DY508466 [0,0,0,1,0,0|2,0,1]=4 115 B11R2.533 [C@@H]12CC=C(C)[C@@H](C1)C2(C)C DY571593 [0,0,0,1,0,0|0,0,2]=3 116 B9R1.35 CC(=O)C1=CC=C(C)S1 NO20396 [0,0,0,0,1,0|2,0,1]=4 117 B9R1.35 CC(C)C1=CN=C(Br)S1 NO14917 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.35 CC(C)C1=CN=C(Cl)S1 DY785380 [0,0,0,0,1,0|3,0,0]=4 119 B9R1.35 CC(C)C1=NC=C(Br)N1 DY607323 [0,0,0,0,1,0|3,0,0]=4 120 B9R1.35 CC(C)C1=NNC(=O)C1 DY546759 [0,0,0,0,1,0|3,0,0]=4 121 B9R1.35 CC1=NC(C(C)N)=CS1 DY548289 [0,0,0,0,1,0|3,0,0]=4 122 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 DY433485 [0,0,0,0,0,1|1,0,2]=4 123 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 DY798087 [0,0,0,0,0,1|1,0,2]=4 124 B11R1.20 CC(C)NC1=CC=C(F)C=C1 NO22842 [0,0,0,0,0,1|1,0,2]=4 125 B11R1.20 CC(C)OC1=CC=C(N)C=C1 NO10912 [0,0,0,0,0,1|1,0,2]=4 126 B11R1.20 CC1=CN=C(NC(C)C)C=C1 DY663641 [0,0,0,0,0,1|1,0,1]=3 127 B8R0.28 CC(=O)CCC=C(C)C DY506172 [1,0,1,0,0,0|1,0,1]=4 128 B8R1.2 CCC1=CC=CN=C1 NO22277 [2,0,0,0,0,0|1,0,1]=4 129 B8R1.3 CC1=CN=C(C)C=C1 NO21154 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [1,1,0,0,0,0|0,0,2]=4 131 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [1,1,0,0,0,0|0,0,2]=4 132 B10R1.1 CC1=CN=C(CCN)C=C1 DY654264 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.1 CCNC1=CC=C(C)C=C1 DY822062 [1,1,0,0,0,0|0,0,2]=4 134 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [1,1,0,0,0,0|0,0,2]=4 135 B10R1.3 CCC1=CC=C(CC)C=C1 DY822052 [1,1,0,0,0,0|0,0,2]=4 136 B10R1.3 CCC1=CC=C(CO)C=C1 DY450460 [1,1,0,0,0,0|0,0,2]=4 137 B10R1.25 CCC1=CN=C(C)C=C1N DY660014 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.25 CCC1=CN=C(C)C=C1N DY711175 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.15 CC(CN)C1=CC=CC=C1 DY822021 [1,1,0,0,0,0|0,0,2]=4 140 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [1,1,0,0,0,0|0,0,2]=4 141 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 NO10909 [1,1,0,0,0,0|0,0,2]=4 142 B10R1.28 CC(C)(C)C1=CC=CN=C1 DY430933 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.28 CC(C)(C)C1CC=CCC1 NO14977 [1,1,0,0,0,0|0,0,2]=4 144 B10R1.28 CC(C)(N)C1=CC=CN=C1 DY583827 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.61 CC(C)C1=C(Br)C=CC=C1 NO19988 [1,1,0,0,0,0|0,0,2]=4 146 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 DY454324 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.113 CC(C)C1=NC=CC(Br)=C1 DY579081 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 DY555831 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 NO16467 [0,1,0,0,1,0|2,0,0]=4 150 B10R1.31 CC(C)C1=NC(CO)=CO1 DY606795 [0,1,0,0,1,0|2,0,0]=4 151 B10R1.31 CC(C)C1=NOC(CN)=C1 DY602566 [0,1,0,0,1,0|2,0,0]=4 152 B10R1.31 CC(C)C1=NOC(CO)=C1 DY602924 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.31 CC(C)c1cc(CN)on1 DY121101 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.58 CC1=C(C)SC(C(C)C)=N1 DY785818 [0,1,0,0,1,0|2,0,0]=4 155 B12R1.4 CC(C)OC1=CC=C(CO)C=N1 DY506298 [0,1,0,0,0,1|1,0,1]=4 156 B12R1.4 CC(C)OC1=NC=C(CCl)C=C1 DY659228 [0,1,0,0,0,1|1,0,1]=4 157 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 DY602014 [0,2,0,0,0,0|0,0,2]=4 158 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 DY41350 [0,2,0,0,0,0|0,0,2]=4 159 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 DY567087 [0,2,0,0,0,0|0,0,2]=4 160 B12R1.9 CC1=CC=C(C(C)(C)C#N)C=C1 DY553191 [0,2,0,0,0,0|0,0,2]=4 161 B12R1.23 CC1=CC[C@@H](C(C)(C)O)C[C@@H]1O DY561297 [0,2,0,0,0,0|0,0,2]=4 162 B12R1.126 CC1=CC(O)=C(C(C)(C)C)C=C1 DY41205 [0,2,0,0,0,0|0,0,2]=4 163 B10R1.211 CN(C)\C=C\C(=O)C1CC1 DY607805 [0,0,1,1,0,0|2,0,0]=4 164 B10R2.14 CC1=CC(C2CC2)=NN1 DY516351 [0,0,0,1,1,0|2,0,0]=4 165 B10R2.14 CC1=NC(C2CC2)=CS1 DY758149 [0,0,0,1,1,0|2,0,0]=4 166 B12R2.9 OCC1=CC=C(C2CC2)C=C1 DY758305 [0,1,0,1,0,0|0,0,2]=4 167 B8R1.1 CCC1=CC(C)=CS1 DY447443 [1,0,0,0,1,0|1,0,1]=4 168 B8R1.1 CCC1=NC=C(C)N1 DY580743 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.7 CC(C)C1=CN=CS1 DY785650 [1,0,0,0,1,0|2,0,0]=4 170 B8R1.7 CC(C)C1=CNC=C1 DY447203 [1,0,0,0,1,0|1,0,1]=4 171 B8R1.7 CC(C)C1=NC=CN1 NO21624 [1,0,0,0,1,0|2,0,0]=4 172 B8R1.7 CC(N)C1=CC=CN1 DY717705 [1,0,0,0,1,0|2,0,0]=4 173 B8R1.7 CC(N)C1=CC=CS1 DY585951 [1,0,0,0,1,0|2,0,0]=4 174 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [1,0,0,0,1,0|2,0,0]=4 175 B8R1.7 C[C@@H](O)C1=CC=CS1 DY621687 [1,0,0,0,1,0|2,0,0]=4 176 B10R1.18 CC(C)NC1=CC=CC=C1 NO11787 [1,0,0,0,0,1|0,0,2]=4