0 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CN(C)C1=C(O)C=NC=C1 AT23568 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 C[C@H](N)C1=CC=CN=C1F AC8220 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.61 NC1=C(C(=O)O)C=NN=C1 D87903 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 NC1=CC=NN=C1C(=O)O F13675 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.61 OC1=C(C(F)F)C=CC=C1 AT20035 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 NC(=S)C1=NN=CC=C1 O12058 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.15 CC1=C(C=O)C=NN=C1 AT10311 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 CC1=CC=NN=C1C=O AT10310 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.15 NCC1=CC=CNC1=O D76881 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.15 O=CC1=NC=CN=C1F P13900 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 N14391 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 Y12531 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.53 NCC1=C(C(=O)O)C=CC=N1 AT25913 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.53 O=C(O)C1=C(CO)N=CC=C1 D77099 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.53 O=CC1=C(C(=O)O)C=NC=C1 P18750 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.87 CC(C)(N)C1=C(N)C=CC=C1 D86445 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.87 CP(C)(=O)C1=C(I)C=CC=C1 AT11111 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.87 [2H]C([2H])([2H])C1=C(O)C=CC=C1 D98895 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.156 CC(=O)C1=C(I)C=CN=C1F AT16505 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.156 CC(C)C1=C(F)C=CC=C1O AT20215 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.156 CC1=CN=CC(Cl)=C1C(=O)O AT24332 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1Cl C92035 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1Cl C92044 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F C92042 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.159 CC(C)C1=CC=CC(F)=C1O AT20236 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.159 CC1=CN=CC(C(=O)O)=C1C AT13149 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.159 CC1=NC=CC(C(=O)O)=C1Br D88096 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1Br C92031 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1Br C92054 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1Br C92033 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1Br C92052 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1O AT22639 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.159 NC(=O)C1=C(I)C(Cl)=CC=N1 AC3696 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1I W19256 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.159 NC1=CN=CC(C(=O)O)=C1N 94389 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Br AT15963 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl C72015 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.159 O=C(O)C1=CN=CC(F)=C1Cl AT10270 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.166 CC(=O)C1=C(O)N=C(Cl)C=C1 AT20297 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1N AC9826 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.166 CC(=O)C1=NC=C(Br)C=C1O AT21120 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92023 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92046 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D96376 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91974 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91977 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92027 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92048 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Br)C=C1 D96375 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.166 NC(=O)C1=NC=C(F)C=C1N AT14793 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.166 NC1=CC(S)=C(C(=O)O)C=C1 AT21193 [0,1,0,0,0,0|1,1,0]=3 62 B11R1.166 O=C(O)C1=C(I)C=C(Br)N=C1 AT12762 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.166 O=C(O)C1=C(I)C=C(Cl)N=C1 P12286 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.166 O=C(O)C1=C(O)N=C(Br)C=C1 AC4834 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 O10299 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.167 CC(=O)C1=C(C)N=CC(N)=C1 O10300 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.167 CC(=O)C1=CC(Br)=CN=C1O AT20305 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.167 CC(=O)C1=CC(Cl)=CN=C1O AT20998 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.167 CC(=O)C1=CC(F)=CN=C1O AT21104 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.167 CC1=C(C(=O)O)C=C(N)N=C1 AT18131 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=N1 AT24032 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.167 CC1=CC([C@H](C)N)=C(Br)C=C1 C92014 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.167 CC1=CC([C@H](C)N)=C(Br)C=C1 C92021 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.167 CC1=CN=C(Cl)C=C1C(=O)O AT21681 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.167 C[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91966 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.167 C[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91970 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.167 C[C@H](N)C1=C(F)C=CC(Br)=C1 AT24142 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.167 C[C@H](N)C1=C(F)C=CC(Br)=C1 AT24143 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.167 C[C@H](N)C1=C(F)C=CC(Cl)=C1 N13234 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 50793 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.167 NC(=O)C1=C(N)C=NC(Cl)=N1 AT10205 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.167 NC(=O)C1=CC(Cl)=CN=C1N AT16915 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.167 NC1=CC(C(F)F)=C(O)C=C1 AT26539 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.167 O=C(O)C1=C(O)N=CC(F)=N1 N13383 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.167 O=C(O)C1=CC(Br)=CN=C1I AC8600 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.167 OC1=C(C(F)F)C=C(F)C=C1 79333 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.222 C=CC(=O)C1=C(F)C=CC=C1 F13144 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.222 CC1=C(C(=S)NN)C=CC=C1 W10975 [0,1,0,0,0,0|1,1,0]=3 89 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13417 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13440 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.222 O=C(CCl)C1=NC=CC=C1F 78963 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.222 O=C(NO)C1=C(Br)C=CC=C1 D76830 [0,1,0,0,0,0|1,0,0]=2 93 B11R2.1 BrC1=NOC2=C1C=CC=C2 D77128 [0,0,0,1,0,0|1,0,1]=3 94 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [0,0,0,1,0,0|2,0,1]=4 95 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [0,0,0,1,0,0|1,0,1]=3 96 B11R2.1 N[C@H]1COC2=C1C=CC=C2 F16957 [0,0,0,1,0,0|1,0,1]=3 97 B11R2.1 O=C1NC=C2C=CC=CN12 D72553 [0,0,0,1,0,0|2,0,0]=3 98 B11R2.468 O=C1CC2=CC=CC(Br)=C12 AT20401 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.41 O=C(O)C1=CSC=C1F AT16774 [0,0,0,0,1,0|3,0,0]=4 100 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 D74339 [0,0,0,0,0,1|2,0,0]=3 101 B11R1.86 CC(=O)NC1=CC=CNC1=O D74338 [0,0,0,0,0,1|2,0,1]=4 102 B11R1.86 O=C(O)CC1=C(Br)C=CN=C1 AT23274 [0,0,0,0,0,1|3,0,0]=4 103 B11R1.86 O=C(O)CC1=C(Br)C=NC=C1 AT23277 [0,0,0,0,0,1|3,0,0]=4 104 B11R1.86 O=C(O)CC1=C(Cl)C=CN=C1 AT23281 [0,0,0,0,0,1|3,0,0]=4 105 B11R1.86 O=C(O)CC1=C(Cl)C=NC=C1 AT23303 [0,0,0,0,0,1|3,0,0]=4 106 B11R1.86 O=C(O)CC1=C(F)C=NC=C1 AT23311 [0,0,0,0,0,1|3,0,0]=4 107 B11R1.86 O=C(O)CC1=CC=CN=C1F AT23305 [0,0,0,0,0,1|3,0,0]=4 108 B11R1.86 O=C(O)CC1=NC=CC=C1O 37888 [0,0,0,0,0,1|2,0,0]=3 109 B11R1.86 O=C([O-])CC1=C(Cl)C=NC=C1 AT23304 [0,0,0,0,0,1|3,0,0]=4 110 B11R1.86 O=C([O-])CC1=C(F)C=NC=C1 AT23312 [0,0,0,0,0,1|3,0,0]=4 111 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|1,0,1]=4 112 B8R1.5 NC1=C(S)C=NC=C1 P12634 [2,0,0,0,0,0|1,1,0]=4 113 B8R1.5 O=C1OC=CC=C1Br AC1746 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.5 OC1=C(F)C=CN=C1 98163 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.13 N=C(N)C1=CN=C(Br)C=C1 W17790 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.13 NC(=O)C1=CN=C(Br)N=C1 D76256 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.28 [2H]C([2H])(N)C1=CC=CC=C1 D99382 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.2 CC1=C(C=O)C=CN=C1F AC7965 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.2 NCC1=CC=CC(F)=C1O D85259 [1,1,0,0,0,0|0,0,1]=3 130 B10R1.2 NNC1=CC=CC(F)=C1Br AT23940 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.2 O=CC1=C(O)C(Br)=NC=C1 D73604 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.2 O=CC1=CN=CC(Cl)=C1Br AT21625 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.20 C=CC1=C(C=C)C=CC=C1 A11741 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.20 CCC1=CC=CN=C1C=O AT24573 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.20 COC1=C(C=O)C=NC=N1 AT18299 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.25 N#CC1=C(O)C=C(I)C=C1 D76835 [1,1,0,0,0,0|0,0,2]=4 140 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.25 O=CC1=NC=C(Br)C=C1O AT21333 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.30 C#CC1=C(O)C=CC(N)=C1 AC8460 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.30 CC1=CC(C=O)=C(F)C=N1 AT23100 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.30 CC1=NC(C=O)=C(Br)C=C1 D72193 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.30 O=CC1=C(Br)C=CC(Br)=N1 AC8056 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.30 O=CC1=C(Br)C=CC(F)=N1 AC3278 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.245 CC1=CN=CC(F)=C1C=O AT23108 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.245 COC1=C(O)C=CC=C1C AT19440 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.245 NC1=NC=CC(Br)=C1C=O P19341 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.245 O=CC1=C(I)C=CC=C1I AT18530 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.59 CC1=CN(N)C(C(N)=O)=C1 P11521 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.59 NC(=O)C1=CC(F)=CN1N P12552 [0,1,0,0,1,0|2,0,0]=4 155 B10R1.59 NC(=O)C1=CC(I)=CN1N P14721 [0,1,0,0,1,0|2,0,0]=4 156 B10R1.192 NC(=O)C1=C(Br)C=CN1N P14719 [0,1,0,0,1,0|2,0,0]=4 157 B10R1.192 NC(=O)C1=C(F)C=CN1N P14720 [0,1,0,0,1,0|2,0,0]=4 158 B12R1.124 CC(=O)[C@H](N)C1=C(C)C=CC=C1 D85230 [0,1,0,0,0,1|2,0,0]=4 159 B12R1.124 CC(=O)[C@H](N)C1=C(Cl)C=CC=C1 D85233 [0,1,0,0,0,1|2,0,0]=4 160 B12R1.124 CC1=C([C@@H](F)C(=O)O)C=CC=C1 AC9472 [0,1,0,0,0,1|2,0,0]=4 161 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25205 [0,1,0,0,0,1|2,0,0]=4 162 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25208 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25209 [0,1,0,0,0,1|2,0,0]=4 164 B12R1.127 CC1=CC(CC(=O)O)=C(I)C=C1 AT25201 [0,1,0,0,0,1|2,0,0]=4 165 B12R1.127 O=C(O)CC1=C(I)C=CC(Br)=C1 C13048 [0,1,0,0,0,1|2,0,0]=4 166 B12R1.127 O=C(O)CC1=C(I)C=CC(Cl)=C1 AT25203 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.151 CS(C)(=O)=NC1=C(O)C=CC=C1 AT18482 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.224 CC(=O)NC1=C(O)C(Cl)=NC=C1 E71775 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.233 O=C(O)CC1=C(I)C=C(Br)C=C1 D85730 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.233 O=C(O)CC1=C(I)C=C(Cl)C=C1 D85731 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 AT25194 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.1009 O=C(O)CC1=C(I)C=CC=C1Cl AT25202 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.1009 O=C(O)CC1=C(I)C=CC=C1F AT25198 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.46 C=CC1=C(C(=O)O)C=C(Cl)C=C1 D77884 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.46 COC1=C(C(C)=O)C=C(C)C=N1 D74378 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.46 COC1=CC=C(C)N=C1C(C)=O AT25055 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 AC9249 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.57 COC1=CC(Br)=NC=C1C(=O)O C91420 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y12542 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y12889 [0,2,0,0,0,0|1,0,1]=4 181 B12R1.261 C[C@H](N)C1=C(C(N)=O)C=CC=C1 Y14057 [0,2,0,0,0,0|1,0,0]=3 182 B12R1.437 CCC1=CC=CC(O)=C1C(=O)O D76421 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.126 NC1=CC(F)=C(S(N)(=O)=O)C=C1 AC9770 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.128 NC1=C(S(N)(=O)=O)C=C(I)C=C1 AT23126 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.894 CC1=C(Br)C=CC(O)=C1C(=O)O D76566 [0,2,0,0,0,0|1,0,0]=3 186 B12R1.894 CC1=C(Cl)C=CC(O)=C1C(=O)O D76565 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.894 CC1=C(F)C=CC(F)=C1C(=O)O D96192 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.894 CC1=C(F)C=CC(O)=C1[N+](=O)[O-] D96238 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.894 CC1=CC=C(O)C(C(=O)O)=C1F AT21288 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.894 NC1=C(I)C=CC(F)=C1C(=O)O D77901 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.894 O=C(O)C1=C(I)C(Br)=CC=C1I AT18569 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.894 O=C(O)C1=C(I)C(F)=CC=C1I AT18562 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.894 O=C(O)C1=C(I)C=CC(F)=C1Br AT14987 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.1000 CC1=CC(Br)=CC(Br)=C1C(=O)O AC8815 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.1000 CC1=CC(Br)=CC(C)=C1C(N)=O AT22851 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.1000 O=C(O)C1=C(I)C=C(Br)C=C1I AT18566 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.1000 O=C(O)C1=C(I)C=C(F)C=C1I AT18563 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.3441 COC(=O)C1=C(Cl)C=NC=C1O AT11136 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.440 O=[N+]([O-])C1=C(O)C(CO)=CC=C1 D75809 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.511 CC1=C(Br)C=C(S)C=C1C(=O)O D73648 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.511 CC1=C(I)C=C(Br)C=C1C(=O)O AT12545 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.511 O=C(O)C1=CC(O)=CC(Br)=C1F AT11236 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1Br AT21197 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.893 CN1C=CC(C(=O)O)=C(O)C1=O AT19249 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.232 CC1=C(Cl)C=C(O)C(C(=O)O)=C1 AC7035 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.232 CC1=CC(F)=C(I)C=C1C(=O)O AT25998 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.232 NC(=O)C1=C(Cl)C=C(Br)C(=O)N1 E71767 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.232 O=C(O)C1=C(Br)C=C(O)C(F)=C1 AT17981 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1O D76073 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.232 O=C(O)C1=CC(O)=C(Br)C=C1F AT11232 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.232 O=C(O)C1=CC(O)=C(Cl)C=C1Cl D76122 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.452 O=CC1=CC(O)=C(C(=O)O)C=C1 O11231 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.354 C=C[C@H](N)C1=C(O)C=CC(F)=C1 Y13836 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=N1 D76429 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.354 COC(=O)C1=C(S)C=CC(F)=C1 AT20788 [0,2,0,0,0,0|1,1,0]=4 216 B12R1.354 CSC(=O)C1=C(F)C=CC(F)=C1 C12395 [0,2,0,0,0,0|2,0,0]=4 217 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [1,0,0,1,0,0|1,0,1]=4 218 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [1,0,0,1,0,0|1,0,1]=4 219 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [1,0,0,1,0,0|1,1,0]=4 220 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.24 O=C1CC2=C(C=CN=C2)CN1 86460 [0,0,0,1,0,1|2,0,0]=4 222 B12R2.202 CC1=CC2=C(O)C=CN=C2N1 P11524 [0,0,0,1,0,1|2,0,0]=4 223 B12R2.202 CC1=NC2=C(C=CC=C2O)O1 D77022 [0,0,0,1,0,1|1,0,1]=4 224 B12R2.202 ClC1=NC2=C(Br)C=CC=C2N1 79223 [0,0,0,1,0,1|2,0,0]=4 225 B12R2.202 O=C1CC2=C(C=CN=C2Br)N1 D72986 [0,0,0,1,0,1|2,0,0]=4 226 B12R2.202 O=C1CC2=C(C=CN=C2Cl)N1 P19236 [0,0,0,1,0,1|2,0,0]=4 227 B12R2.202 O=C1CC2=C(C=CN=C2F)N1 D72987 [0,0,0,1,0,1|2,0,0]=4 228 B12R2.202 O=C1CC2=C(Cl)C=NC=C2N1 D72976 [0,0,0,1,0,1|2,0,0]=4 229 B12R2.202 O=C1CC2=C(F)C=NC=C2N1 D72975 [0,0,0,1,0,1|2,0,0]=4 230 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [0,0,0,1,0,1|2,0,0]=4 231 B12R2.3190 O=C(Cl)[C@@H]1CC2=C1C=CC=C2 E73149 [0,0,0,1,0,1|2,0,0]=4 232 B12R2.1081 O=C1CCOC2=C1C=CC=N2 AT19775 [0,1,0,1,0,0|2,0,0]=4 233 B12R2.1081 O=C1CCOC2=C1C=CN=C2 AT19772 [0,1,0,1,0,0|2,0,0]=4 234 B12R2.1081 O=C1COCC2=C1C=CN=C2 P20308 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.1806 COC1=C2C(=O)CC2=CC=C1 70904 [0,1,0,1,0,0|1,0,0]=3 236 B12R2.88 NC1(C2=C(O)C=CC=C2)CC1 D75141 [0,1,0,1,0,0|1,0,1]=4 237 B12R2.203 ClC1=NOC2=CC=CC(Cl)=C21 AT25191 [0,1,0,1,0,0|1,0,1]=4 238 B12R2.203 FC1=C2C(=CC=C1)ON=C2Cl O10978 [0,1,0,1,0,0|1,0,1]=4 239 B12R2.203 FC1=NNC2=CC=CC(Br)=C21 AT22909 [0,1,0,1,0,0|2,0,0]=4 240 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 59814 [0,1,0,1,0,0|1,0,1]=4 241 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11398 [0,1,0,1,0,0|1,0,1]=4 242 B12R2.203 O=C1NCC2=CC=CC(O)=C12 F18714 [0,1,0,1,0,0|0,0,0]=2 243 B12R2.203 O=C1NOC2=CC=CC(Cl)=C12 75132 [0,1,0,1,0,0|0,0,0]=2 244 B12R2.203 OC1=C2C(Br)=CNC2=CC=N1 I11021 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NO2 O10990 [0,1,0,1,0,0|1,0,1]=4 246 B12R2.612 NC1=CC2=C(C=C1)C(=O)CO2 D76407 [0,1,0,1,0,0|1,0,0]=3 247 B12R2.612 NC1=NNC2=C1C=CC(O)=C2 D86129 [0,1,0,1,0,0|2,0,0]=4 248 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 59815 [0,1,0,1,0,0|1,0,1]=4 249 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 F12585 [0,1,0,1,0,0|1,0,1]=4 250 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N16513 [0,1,0,1,0,0|1,0,1]=4 251 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11243 [0,1,0,1,0,0|1,0,1]=4 252 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N13249 [0,1,0,1,0,0|1,0,1]=4 253 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [0,1,0,1,0,0|1,1,0]=4 254 B12R2.612 O=C1NN=C2C=C(Br)C=CN12 AT22846 [0,1,0,1,0,0|2,0,0]=4 255 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 33360 [0,1,0,1,0,0|1,0,1]=4 256 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 N11246 [0,1,0,1,0,0|1,0,1]=4 257 B12R2.132 O=C1NCC2=CN=C(Cl)C=C12 D76096 [0,1,0,1,0,0|2,0,0]=4 258 B12R2.132 O=C1NCC2=NC=C(Cl)C=C12 W19242 [0,1,0,1,0,0|2,0,0]=4 259 B12R2.1 O=CC1=C2C=CC=CC2=NO1 AC6722 [0,1,0,1,0,0|2,0,0]=4 260 B12R2.1 O=C[C@@H]1COC2=C1C=CC=C2 AT24011 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.11 NC1=C(C=O)OC=C1 D74825 [1,0,0,0,1,0|2,0,0]=4 262 B8R1.11 O=CC1=C(Cl)C=CN1 P10927 [1,0,0,0,1,0|2,0,0]=4 263 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [1,0,0,0,1,0|2,0,0]=4 264 B8R1.11 O=CC1=C(F)C=CS1 D74567 [1,0,0,0,1,0|2,0,0]=4 265 B8R1.11 O=CC1=CSC=C1F AT17070 [1,0,0,0,1,0|2,0,0]=4