0 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.91 NC(=O)CCC1=NC=NC=C1 F13616 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.17 O=C\C=C\C1=CC=NC=C1 T72403 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.17 OCCCC1=CCC=CC1 72320 [1,0,0,0,0,0|0,0,3]=4 22 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.17 OCCOC1=NC=CC=C1 C90307 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,0,0,0,0,0|1,1,1]=4 25 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,0,0,0,0,0|1,1,1]=4 26 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=C1 F12000 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [0,1,0,0,0,0|0,0,2]=3 29 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [0,1,0,0,0,0|1,0,2]=4 30 B12R1.21 C[C@H](N)CCC1=CC=C(Br)C=C1 84991 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.21 C[C@H](N)CCC1=CC=C(O)C=C1 N14377 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 O10876 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 T70657 [0,1,0,0,0,0|0,0,2]=3 35 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 W16385 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.27 COC(=O)C#CC1=CC=NC=C1 AC6823 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.27 COC(=O)CCC1=NC=CN=C1 C15360 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.27 COC(=O)CCC1=NC=NC=C1 F14178 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.27 NC(\C=C\C1=CC=CC=C1)=N/O W15444 [0,1,0,0,0,0|1,0,2]=4 43 B12R1.43 C[C@H](NC1=CN=CC=C1)C(=O)O W16392 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.43 C[C@H](SC1=NC=CC=C1)C(=O)O W18318 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.43 C\C(=C/C1=CN=CC=C1)C(=O)O E72369 [0,1,0,0,0,0|1,0,2]=4 46 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O N12543 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.43 O=C(O)[C@@H](O)CC1=CN=CC=C1 AT17758 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,1,0,0,0,0|0,0,0]=1 50 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 F50499 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 C78399 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 N12985 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 50989 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.107 O=[N+]([O-])C[C@H](O)C1=CC=NC=C1 68965 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,1,0,0,0,0|0,0,0]=1 58 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 V10202 [0,1,0,0,0,0|1,0,2]=4 59 B12R1.125 O=C(O)CCN1C=CC=CC1=O O10863 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.125 O=C(O)CCN1C=CC=NC1=O AT13856 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 CL8802 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 61030 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.125 O=C(O)CSC1=C(Br)C=CC=C1 AT20945 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.125 O=C(O)CSC1=C(O)C=CC=C1 AT20931 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.226 CC(=O)NNC1=CC=CC(Cl)=C1 C14571 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 AT20929 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 F20007 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.226 O=C(O)CCC1=CC(Br)=CN=C1 F30870 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.226 O=C(O)CNC1=CC=NC(Br)=N1 F50590 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 C11055 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 T72496 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.891 O=S(=O)(Cl)NCC1=CC=CC=C1 D86385 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.891 [2H]C([2H])(O)COC1=CC=CC=C1 D99604 [0,1,0,0,0,0|2,0,1]=4 75 B12R2.22 BrC1CC(C2=CC=CC=C2)C1 AT17150 [0,0,0,1,0,0|2,0,1]=4 76 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [0,0,0,1,0,0|2,0,0]=3 77 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,0,0,1,0,0|1,0,0]=2 78 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [0,0,0,1,0,0|1,0,1]=3 79 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,0,0,1,0,0|2,0,1]=4 80 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,0,0,1,0,0|2,0,1]=4 82 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,0,0,1,0,0|2,0,1]=4 83 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,0,0,1,0,0|2,0,1]=4 84 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 86461 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,0,0,1,0,0|2,0,0]=3 86 B12R2.24 O=C1CSC2=C(N=CC=C2)N1 92244 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [0,0,0,1,0,0|2,0,1]=4 88 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.24 O=C1NC2=C(C=CC=N2)CO1 AC7037 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 O=C1NC2=C(C=CN=C2)CO1 AC5095 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 O[C@H]1CCC2=C(C=CC=N2)C1 D78688 [0,0,0,1,0,0|2,0,1]=4 92 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,1,0|2,0,0]=3 93 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,0,0,0,1,0|1,0,1]=3 94 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,0,0,0,1,0|1,0,1]=3 95 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,0,0,0,1,0|3,0,0]=4 96 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,1,0|2,0,0]=3 97 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [0,0,0,0,1,0|3,0,0]=4 98 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,0,0,0,1,0|1,0,1]=3 99 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [0,0,0,0,1,0|2,0,1]=4 100 B10R1.66 O=C(O)CCN1C=CN=N1 W18328 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.66 O=C(O)CCN1C=NN=C1 AT12157 [0,0,0,0,1,0|3,0,0]=4 102 B10R1.66 O=C(O)COC1=CSC=C1 AT16734 [0,0,0,0,1,0|2,0,0]=3 103 B10R1.66 O=C(O)COC1=NOC=C1 AT19591 [0,0,0,0,1,0|3,0,0]=4 104 B10R1.66 O=C(O)COC1=NSC=C1 AT21062 [0,0,0,0,1,0|3,0,0]=4 105 B10R1.66 O=C(O)CSC1=CC=CS1 AT21321 [0,0,0,0,1,0|2,0,0]=3 106 B10R1.66 O=C(O)CSC1=NC=CS1 AT14881 [0,0,0,0,1,0|3,0,0]=4 107 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [0,0,0,0,0,1|2,0,0]=3 108 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [0,0,0,0,0,1|2,0,1]=4 109 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [0,0,0,0,0,1|2,0,1]=4 110 B12R1.252 C[C@H](O)CCCC1=CN=CC=C1 F53169 [0,0,0,0,0,1|2,0,1]=4 111 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [0,0,0,0,0,1|1,0,1]=3 112 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [0,0,0,0,0,1|1,0,1]=3 113 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [0,0,0,0,0,1|1,0,1]=3 114 B12R1.252 N=C(N)SCCC1=NC=CC=C1 F17998 [0,0,0,0,0,1|3,0,0]=4 115 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [0,0,0,0,0,1|1,0,0]=2 116 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 AT25408 [0,0,0,0,0,1|0,0,1]=2 117 B12R1.252 O=C(O)CCCC1=CN=CC=C1 AT25838 [0,0,0,0,0,1|1,0,0]=2 118 B12R1.252 O=C(O)CCNC1=CC=NC=C1 W15226 [0,0,0,0,0,1|1,0,0]=2 119 B12R1.252 O=C(O)CCNC1=NC=CC=C1 65602 [0,0,0,0,0,1|1,0,0]=2 120 B9R1.8 BrCCC1=CN=CC=C1 C77647 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.8 CCCC1=CC=CN=C1 O11051 [2,0,0,0,0,0|1,0,1]=4 122 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [2,0,0,0,0,0|1,0,1]=4 123 B9R1.8 FCCC1=CC=CC=C1 75534 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.8 NCCC1=CC=CC=C1 T71816 [2,0,0,0,0,0|1,0,0]=3 125 B9R1.8 NCCC1=CC=CC=C1 T72591 [2,0,0,0,0,0|1,0,0]=3 126 B9R1.8 OCCC1=CC=NC=C1 T72404 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.8 OCCC1=NN=CC=C1 D77083 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.8 SCCC1=NC=CC=C1 F18309 [2,0,0,0,0,0|1,1,0]=4 129 B11R1.1 C=CCOC1=CC=C(Br)C=C1 71195 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.1 NC1=CC=C(OCCO)C=C1 F16836 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 AB6809 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.1 OCCNC1=CC=C(F)C=C1 I11182 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.1 OCCSC1=CC=C(Br)C=C1 AT20956 [1,1,0,0,0,0|1,0,1]=4 142 B11R1.16 C#CC[C@H](O)C1=CC=CC=C1 W15219 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [1,1,0,0,0,0|0,0,1]=3 150 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.17 C=CCCC1=C(Br)C=NC=C1 S10194 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.17 O=C1C=CC=CN1CCCO AT19228 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 W16727 [1,1,0,0,0,0|0,0,2]=4 159 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 D90980 [1,1,0,0,0,0|0,0,2]=4 160 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [1,1,0,0,0,0|0,0,0]=2 163 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.24 N#CCCC1=CC=CC(F)=C1 97618 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.24 NC1=CC(CCCO)=NC=C1 AC5942 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.24 NC1=CC=CC(OCCO)=C1 C78268 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [1,1,0,0,0,0|0,0,0]=2 172 B11R1.24 O=CNCC1=CC=CC(F)=C1 Y10034 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 FD10704 [1,1,0,0,0,0|0,0,2]=4 174 B11R1.24 [C-]#[N+]CCC1=CC=CC(F)=C1 50335 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.28 NNCCOC1=CC=CC=C1 AC4849 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.28 NOCCOC1=CC=CC=C1 AT21707 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.28 OCCCCC1=CC=NC=C1 31475 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [1,1,0,0,0,0|0,0,0]=2 181 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [1,1,0,0,0,0|0,0,1]=3 185 B11R1.40 O\N=C(/Cl)CC1=CC=CC=C1 AC6652 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [0,1,0,0,1,0|1,0,1]=4 187 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [0,1,0,0,1,0|1,0,1]=4 188 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,1,0,0,1,0|2,0,0]=4 189 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [0,1,0,0,1,0|2,0,0]=4 190 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,1,0,0,1,0|1,0,0]=3 191 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,1,0,0,1,0|1,0,1]=4 192 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,1,0,0,1,0|1,0,1]=4 193 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,1,0,0,1,0|1,0,1]=4 194 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,1,0,0,1,0|1,0,1]=4 195 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,1,0,0,1,0|1,0,1]=4 196 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT10021 [0,1,0,0,1,0|1,0,0]=3 197 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 F15634 [0,1,0,0,1,0|1,0,0]=3 198 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,1,0,0,1,0|1,0,0]=3 199 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 AC3554 [0,1,0,0,1,0|1,0,0]=3 200 B11R1.36 N[C@@H](C(=O)O)C1=NC=CN=C1 66504 [0,1,0,0,1,0|2,0,0]=4 201 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,1,0,0,1,0|2,0,0]=4 202 B11R1.86 CC1=NC=CN=C1CC(=O)O A51230 [0,1,0,0,1,0|2,0,0]=4 203 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [0,1,0,0,1,0|2,0,0]=4 204 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,1,0,0,1,0|1,0,0]=3 205 B11R1.157 CC1=CC(CC(=O)O)=NC=N1 C91524 [0,1,0,0,1,0|2,0,0]=4 206 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 AC5601 [0,1,0,0,1,0|1,0,0]=3 207 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [0,1,0,0,1,0|2,0,0]=4 208 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [0,1,0,0,1,0|2,0,0]=4 209 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 S12253 [0,1,0,0,1,0|1,0,0]=3 210 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 N10485 [0,1,0,0,1,0|1,0,0]=3 211 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y10709 [0,1,0,0,1,0|1,0,0]=3 212 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 AT23257 [0,1,0,0,1,0|1,0,0]=3 213 B11R1.157 OB(O)CC1=CC=CC(F)=C1 D79888 [0,1,0,0,1,0|1,0,1]=4 214 B11R1.25 COC(=O)CCC1=CC=CS1 C91137 [0,1,0,0,1,0|1,0,0]=3 215 B11R1.35 C[C@@H](CC1=CC=CO1)C(=O)O W18641 [0,1,0,0,1,0|1,0,0]=3 216 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A50248 [0,1,0,0,1,0|1,0,0]=3 217 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67399 [0,1,0,0,1,0|2,0,0]=4 218 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67406 [0,1,0,0,1,0|2,0,0]=4 219 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A50228 [0,1,0,0,1,0|1,0,0]=3 220 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A50247 [0,1,0,0,1,0|1,0,0]=3 221 B11R1.35 N[C@@H](CC1=NC=CS1)C(=O)O N13108 [0,1,0,0,1,0|2,0,0]=4 222 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O 51851 [0,1,0,0,1,0|2,0,0]=4 223 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O AC5797 [0,1,0,0,1,0|2,0,0]=4 224 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 C14801 [0,1,0,0,1,0|2,0,0]=4 225 B11R1.75 CC1=CN(CCC(=O)O)N=C1 F16132 [0,1,0,0,1,0|2,0,0]=4 226 B11R1.75 CC1=NC(CCC(=O)O)=CS1 AT24339 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.75 CC1=NC(CCC(=O)O)=CS1 AT24340 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.75 O=C(O)CCN1C=C(Cl)C=N1 AT25144 [0,1,0,0,1,0|2,0,0]=4 229 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 D76619 [0,1,0,0,1,0|1,0,0]=3 230 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12538 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12564 [0,1,0,0,1,0|1,0,0]=3 232 B11R1.77 N[C@@H](CC(=O)O)C1=COC=C1 N16738 [0,1,0,0,1,0|1,0,0]=3 233 B11R1.77 N[C@@H](CC(=O)O)C1=COC=C1 N16739 [0,1,0,0,1,0|1,0,0]=3 234 B11R1.77 N[C@@H](CC(=O)O)C1=COC=C1 N16740 [0,1,0,0,1,0|1,0,0]=3 235 B11R1.77 N[C@@H](CC(=O)O)C1=CSC=C1 N12476 [0,1,0,0,1,0|1,0,0]=3 236 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10006 [0,1,0,0,0,1|0,0,0]=2 237 B13R1.149 NC(=O)NCCC1=CC(O)=CC=C1 E72610 [0,1,0,0,0,1|1,0,0]=3 238 B13R1.149 NC1=CC=CC(CCCC(=O)O)=C1 C16710 [0,1,0,0,0,1|0,0,0]=2 239 B13R1.149 O=C(O)CCOC1=CC=CC(Br)=C1 F13496 [0,1,0,0,0,1|0,0,0]=2 240 B13R1.149 O=C(O)CNCC1=CC=CC(Cl)=C1 W19303 [0,1,0,0,0,1|0,0,0]=2 241 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 AC5730 [0,1,0,0,0,1|0,0,0]=2 242 B13R1.158 NC1=C(CCCC(=O)O)C=CC=C1 F17094 [0,1,0,0,0,1|0,0,0]=2 243 B13R1.158 O=C(O)CNCC1=C(Cl)C=CC=C1 W15239 [0,1,0,0,0,1|0,0,0]=2 244 B13R1.158 O=C(O)CNCC1=C(F)C=CC=C1 W16594 [0,1,0,0,0,1|0,0,0]=2 245 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 C11682 [0,1,0,0,0,1|0,0,1]=3 246 B13R1.348 CC(=O)CC(=O)OC1=CC=CC=C1 F12019 [0,1,0,0,0,1|1,0,1]=4 247 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 C14931 [0,1,0,0,0,1|0,0,1]=3 248 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 AT12827 [0,1,0,0,0,1|1,0,1]=4 249 B13R1.351 C[C@H](O)[C@H](C)OCC1=CC=CC=C1 P19299 [0,1,0,0,0,1|1,0,1]=4 250 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O C12171 [0,1,0,0,0,1|0,0,0]=2 251 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O C16268 [0,1,0,0,0,1|0,0,0]=2 252 B13R1.513 CC(=O)CCSC1=CC=C(O)C=C1 FD10618 [0,1,0,0,0,1|1,0,0]=3 253 B13R1.513 CC(=O)NCCC1=CC=C(Br)C=C1 F16684 [0,1,0,0,0,1|1,0,0]=3 254 B13R1.513 O=C(Cl)CCCC1=CC=C(F)C=C1 AC3833 [0,1,0,0,0,1|1,0,0]=3 255 B13R1.718 COC(=O)CCNC1=CC=NC=C1 W15229 [0,1,0,0,0,1|1,0,0]=3 256 B13R1.718 COC(=O)NCCC1=CC=CC=C1 F15323 [0,1,0,0,0,1|0,0,0]=2 257 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 50122 [0,1,0,0,0,1|1,0,1]=4 258 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 77446 [0,1,0,0,0,1|1,0,1]=4 259 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 AT18638 [0,1,0,0,0,1|1,0,1]=4 260 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 AT18639 [0,1,0,0,0,1|1,0,1]=4 261 B13R1.718 N[C@@H](CO)CSCC1=CC=CC=C1 AT13352 [0,1,0,0,0,1|1,0,1]=4 262 B13R1.718 O[C@H](CBr)COCC1=CC=CC=C1 T70304 [0,1,0,0,0,1|1,0,1]=4 263 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 C12977 [0,1,0,0,0,1|1,0,1]=4 264 B13R1.718 O[C@H](CCl)COCC1=CC=CC=C1 D72522 [0,1,0,0,0,1|1,0,1]=4 265 B13R1.3523 O=P(O)(O)C\C=C\C1=CC=CC=C1 T70296 [0,1,0,0,0,1|1,0,1]=4 266 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 F16131 [0,2,0,0,0,0|0,0,2]=4 267 B13R1.3 O=C(O)\C=C\C1=CC=C(CO)C=C1 44458 [0,2,0,0,0,0|0,0,2]=4 268 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 A12447 [0,2,0,0,0,0|0,0,0]=2 269 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 D87889 [0,2,0,0,0,0|0,0,2]=4 270 B13R1.14 COC(=O)C#CC1=CC=C(Br)C=C1 AT20430 [0,2,0,0,0,0|0,0,2]=4 271 B13R1.14 COC(=O)C#CC1=CC=C(Cl)C=C1 T72904 [0,2,0,0,0,0|0,0,2]=4 272 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C77100 [0,2,0,0,0,0|0,0,0]=2 273 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 Y11148 [0,2,0,0,0,0|1,0,0]=3 274 B13R1.14 NCC(=O)NCC1=CC=C(F)C=C1 F21194 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.132 CC1=NC=C([C@@H](N)CC(=O)O)C=C1 N11364 [0,2,0,0,0,0|1,0,0]=3 276 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50480 [0,2,0,0,0,0|0,0,0]=2 277 B13R1.133 CC1=CC=C(CC(=O)C(=O)O)C=C1 C91147 [0,2,0,0,0,0|0,0,1]=3 278 B13R1.133 CC1=CC=C(N[C@@H](F)C(=O)O)C=C1 98130 [0,2,0,0,0,0|1,0,0]=3 279 B13R1.133 C[C@H](OC1=CC=C(Br)C=C1)C(=O)O A50593 [0,2,0,0,0,0|1,0,0]=3 280 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12225 [0,2,0,0,0,0|0,0,0]=2 281 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 57696 [0,2,0,0,0,0|0,0,1]=3 282 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 AC3378 [0,2,0,0,0,0|0,0,0]=2 283 B13R1.133 [15NH2][C@@H](CC1=CC=C(O)C=C1)C(=O)O 41413 [0,2,0,0,0,0|0,0,0]=2 284 B13R1.164 CC1=C(CCC(=O)O)C=CC(Br)=C1 F52885 [0,2,0,0,0,0|0,0,0]=2 285 B13R1.164 CC1=C(CCC(=O)O)C=CC(Cl)=C1 F52883 [0,2,0,0,0,0|0,0,0]=2 286 B13R1.164 CC1=C(OCC(=O)O)C=CC(F)=C1 Y10252 [0,2,0,0,0,0|1,0,0]=3 287 B13R1.164 CC1=CC(C)=C(SCC(=O)O)C=C1 AT20937 [0,2,0,0,0,0|1,0,0]=3 288 B13R1.164 CC1=CC(Cl)=C(CCC(=O)O)C=C1 F52923 [0,2,0,0,0,0|0,0,0]=2 289 B13R1.164 O=C(O)CCC1=C(Br)C=C(Cl)C=C1 F52880 [0,2,0,0,0,0|0,0,0]=2 290 B13R1.164 O=C(O)CCC1=C(F)C=C(O)C=C1 F13493 [0,2,0,0,0,0|0,0,0]=2 291 B13R1.164 O=C(O)COC1=C(Cl)C=C(O)C=C1 CL4127 [0,2,0,0,0,0|1,0,0]=3 292 B13R1.164 O=C(O)COC1=C(F)C=C(F)C=C1 A12491 [0,2,0,0,0,0|1,0,0]=3 293 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(O)C=C1 75498 [0,2,0,0,0,0|0,0,2]=4 294 B13R1.164 O=C(O)\C=C\C1=C(O)C=C(O)C=C1 A12691 [0,2,0,0,0,0|0,0,2]=4 295 B13R1.511 CC(=O)CCC1=CC(Cl)=C(Cl)C=C1 W12660 [0,2,0,0,0,0|1,0,0]=3 296 B13R1.511 CC1=C(Br)C=CC(CCC(=O)O)=C1 F52924 [0,2,0,0,0,0|0,0,0]=2 297 B13R1.511 CC1=C(Br)C=CC(\C=C\C(=O)O)=C1 AT20409 [0,2,0,0,0,0|0,0,2]=4 298 B13R1.511 O=C(O)CCC1=CC(Br)=C(Cl)C=C1 F52873 [0,2,0,0,0,0|0,0,0]=2 299 B13R1.511 O=C(O)CCC1=CC(Br)=C(O)C=C1 F52922 [0,2,0,0,0,0|0,0,0]=2 300 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Br)C=C1 F52872 [0,2,0,0,0,0|0,0,0]=2 301 B13R1.511 O=C(O)CCC1=CC(Cl)=C(F)C=C1 F52870 [0,2,0,0,0,0|0,0,0]=2 302 B13R1.511 O=C(O)CCC1=CC(Cl)=C(O)C=C1 F52918 [0,2,0,0,0,0|0,0,0]=2 303 B13R1.511 O=C(O)CCC1=CC(F)=C(O)C=C1 F52917 [0,2,0,0,0,0|0,0,0]=2 304 B13R1.511 O=C(O)CCC1=CC(O)=C(Cl)C=C1 F52919 [0,2,0,0,0,0|0,0,0]=2 305 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 W19089 [0,2,0,0,0,0|1,0,1]=4 306 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 28085 [0,2,0,0,0,0|0,0,0]=2 307 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 75007 [0,2,0,0,0,0|0,0,0]=2 308 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 N12271 [0,2,0,0,0,0|0,0,0]=2 309 B13R1.15 COC(=O)C#CC1=CC=CC(Br)=C1 AT20431 [0,2,0,0,0,0|0,0,2]=4 310 B13R1.15 COC(=O)CCC1=CC=CC(Br)=N1 C92216 [0,2,0,0,0,0|1,0,0]=3 311 B13R1.42 CCC[C@H](O)CCC1=CC=CC=C1 F19746 [0,2,0,0,0,0|1,0,1]=4 312 B13R1.42 CCOC(=O)CCC1=NC=CC=N1 F14067 [0,2,0,0,0,0|2,0,0]=4 313 B13R1.42 C\C=C/C(=O)OCC1=CC=CC=C1 W13679 [0,2,0,0,0,0|2,0,0]=4 314 B13R1.42 C\C=C\C(=O)OCC1=CC=CC=C1 W15659 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.42 C\C=C\C(=O)OCC1=CC=CC=C1 W18720 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.42 O=C(CCF)OCC1=CC=CC=C1 31544 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl A10304 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN F21047 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12610 [0,2,0,0,0,0|0,0,0]=2 320 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 P69950 [0,2,0,0,0,0|1,0,0]=3 321 B13R1.528 CNC(=O)CCC1=C(Br)C=CC=C1 W10434 [0,2,0,0,0,0|1,0,0]=3 322 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 F13304 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 W18708 [0,2,0,0,0,0|0,0,2]=4 324 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 N14313 [0,2,0,0,0,0|0,0,0]=2 325 B13R1.148 C[C@@H](CC1=CC=CC(Br)=C1)C(=O)O 91423 [0,2,0,0,0,0|0,0,0]=2 326 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y11481 [0,2,0,0,0,0|0,0,0]=2 327 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 C91153 [0,2,0,0,0,0|0,0,1]=3 328 B13R1.148 O=C(O)C(=O)CC1=CC=CC(F)=C1 C91152 [0,2,0,0,0,0|0,0,1]=3 329 B13R1.148 O=C(O)[C@@H](O)CC1=CC(O)=CC=C1 AC5897 [0,2,0,0,0,0|0,0,0]=2 330 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(Br)=C1 AC5087 [0,2,0,0,0,0|0,0,0]=2 331 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 AC5720 [0,2,0,0,0,0|0,0,0]=2 332 B13R1.152 CC(C(=O)O)S(=O)C1=CC=CC=C1 E72366 [0,2,0,0,0,0|1,0,0]=3 333 B13R1.152 NC(C(=O)O)C(Cl)C1=CC=CC=C1 H11503 [0,2,0,0,0,0|0,0,0]=2 334 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O F12982 [0,2,0,0,0,0|0,0,0]=2 335 B13R1.202 C[C@H](OC1=C(F)C=CC=C1)C(=O)O C77967 [0,2,0,0,0,0|1,0,0]=3 336 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51256 [0,2,0,0,0,0|0,0,0]=2 337 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51262 [0,2,0,0,0,0|0,0,0]=2 338 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51268 [0,2,0,0,0,0|0,0,0]=2 339 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O N12180 [0,2,0,0,0,0|0,0,0]=2 340 B13R1.202 O=C(O)C(=O)CC1=C(Br)C=CC=C1 C91159 [0,2,0,0,0,0|0,0,1]=3 341 B13R1.202 [2H]C1=C(C[C@H](N)C(=O)O)C=CC=C1 D97891 [0,2,0,0,0,0|0,0,0]=2 342 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O F10940 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.418 N#C[C@@H](CC1=CN=CC=C1)C(=O)O AC2857 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.418 N#C[C@@H](CC1=NC=CC=C1)C(=O)O AC2854 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 29553 [0,2,0,0,0,0|0,0,0]=2 346 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87874 [0,2,0,0,0,0|0,0,0]=2 347 B13R1.1073 [2H]C([2H])(CC1=CC=CC=C1)C(=O)O D98699 [0,2,0,0,0,0|0,0,0]=2 348 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=N1 N10922 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.147 C[C@@H](CC(=O)O)C1=CC(O)=CC=C1 AC6266 [0,2,0,0,0,0|0,0,0]=2 350 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 62470 [0,2,0,0,0,0|0,0,0]=2 351 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 D86847 [0,2,0,0,0,0|0,0,0]=2 352 B13R1.147 N[C@@H](CC(=O)O)C1=NC=CC(Cl)=C1 N14939 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.147 N[C@@H](CC(=O)O)C1=NC=CC(Cl)=C1 N14940 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.147 O=C(O)CC(=O)C1=CC=CC(Br)=C1 AB22200 [0,2,0,0,0,0|0,0,1]=3 355 B13R1.201 CC(=O)CC(=O)C1=C(C)C=CC=C1 78540 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.201 CC1=CC=CN=C1[C@@H](N)CC(=O)O N14899 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.201 CC1=CC=CN=C1[C@@H](N)CC(=O)O N14900 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 N13091 [0,2,0,0,0,0|0,0,0]=2 359 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 N10811 [0,2,0,0,0,0|0,0,0]=2 360 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 N12341 [0,2,0,0,0,0|0,0,0]=2 361 B13R1.713 NC[C@H](CC(=O)O)C1=CC=NC=C1 91627 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.150 CC1=C(F)C=CC=C1CCC(=O)O F52892 [0,2,0,0,0,0|0,0,0]=2 363 B13R1.150 O=C(O)CCC1=C(O)C(O)=CC=C1 C78169 [0,2,0,0,0,0|0,0,0]=2 364 B13R1.150 O=C(O)CCC1=CC=CC(Br)=C1Cl 95973 [0,2,0,0,0,0|0,0,0]=2 365 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1F Y11513 [0,2,0,0,0,0|0,0,0]=2 366 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1I 93251 [0,2,0,0,0,0|0,0,0]=2 367 B13R1.150 O=C(O)CCC1=CC=CC(O)=C1Br F52920 [0,2,0,0,0,0|0,0,0]=2 368 B13R1.150 O=C(O)\C=C\C1=CC=CC(Br)=C1Cl 95972 [0,2,0,0,0,0|0,0,2]=4 369 B13R1.150 O=C(O)\C=C\C1=CC=CC(Br)=C1F 95993 [0,2,0,0,0,0|0,0,2]=4 370 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1Cl C78035 [0,2,0,0,0,0|0,0,2]=4 371 B13R1.157 CC(C)(O)CCC1=C(O)C=CC=C1 F52496 [0,2,0,0,0,0|1,0,1]=4 372 B13R1.893 CC1=C(CCC(=O)O)C=C(F)C=C1 F52899 [0,2,0,0,0,0|0,0,0]=2 373 B13R1.893 CC1=CC(CCC(=O)O)=C(F)C=C1 F52890 [0,2,0,0,0,0|0,0,0]=2 374 B13R1.893 CC1=CC(SCC(=O)O)=C(C)C=C1 AT20939 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.893 O=C(O)CCC1=C(Br)C=CC(O)=C1 F52921 [0,2,0,0,0,0|0,0,0]=2 376 B13R1.893 O=C(O)CCC1=C(F)C=CC(F)=C1 F52863 [0,2,0,0,0,0|0,0,0]=2 377 B13R1.3787 CC1=CC=CC(C)=C1SCC(=O)O E72363 [0,2,0,0,0,0|1,0,0]=3 378 B13R1.643 O=CC1=CC=CC(CCC(=O)O)=C1 F10937 [0,2,0,0,0,0|0,0,0]=2 379 B13R1.3420 CC1=CC(Br)=CC(CCC(=O)O)=C1 F52886 [0,2,0,0,0,0|0,0,0]=2 380 B13R1.3420 O=C(O)C#CC1=CC(Cl)=CC(Cl)=C1 W15245 [0,2,0,0,0,0|0,0,2]=4 381 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Cl)=C1 F52882 [0,2,0,0,0,0|0,0,0]=2 382 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(F)=C1 F52879 [0,2,0,0,0,0|0,0,0]=2 383 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(F)=C1 F52875 [0,2,0,0,0,0|0,0,0]=2 384 B13R1.3420 O=C(O)COC1=CC(Cl)=CC(Cl)=C1 A50586 [0,2,0,0,0,0|1,0,0]=3 385 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 O10854 [0,0,1,1,0,0|0,0,2]=4 386 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [1,0,0,1,0,0|1,0,1]=4 387 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [1,0,0,1,0,0|1,0,1]=4 388 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [1,0,0,1,0,0|1,0,1]=4 390 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [1,0,0,1,0,0|1,0,1]=4 391 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [1,0,0,1,0,0|1,0,1]=4 392 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [1,0,0,1,0,0|1,0,1]=4 393 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [1,0,0,1,0,0|1,0,1]=4 394 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [1,0,0,1,0,0|1,0,1]=4 395 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [1,0,0,1,0,0|1,0,1]=4 396 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [1,0,0,1,0,0|0,0,1]=3 397 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [0,0,0,1,1,0|1,0,1]=4 398 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [0,0,0,1,1,0|2,0,0]=4 399 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [0,0,0,1,1,0|0,1,0]=3 400 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [0,0,0,1,1,0|2,0,0]=4 401 B13R2.10 O=C1CCC(C2=CC=NC=C2)N1 91626 [0,0,0,1,0,1|2,0,0]=4 402 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 C15346 [0,0,0,1,0,1|1,0,0]=3 403 B13R2.10 OC1COC(C2=CC=CC=C2)C1 AT10452 [0,0,0,1,0,1|1,0,1]=4 404 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13019 [0,0,0,1,0,1|1,0,0]=3 405 B13R2.72 NC(=O)[C@@H]1CCC2=C1C=CC=C2 81814 [0,0,0,1,0,1|1,0,0]=3 406 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 F30599 [0,0,0,1,0,1|0,0,2]=4 407 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 30091 [0,0,0,1,0,1|1,0,1]=4 408 B13R2.72 O=C(O)[C@@H]1C=CC2=C1C=CC=C2 F15123 [0,0,0,1,0,1|0,0,1]=3 409 B13R2.72 O=C(O)[C@@H]1COC2=C1C=CC=C2 D78639 [0,0,0,1,0,1|0,0,0]=2 410 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 D88113 [0,0,0,1,0,1|0,0,0]=2 411 B13R2.163 O=C1CCNC2=C(C=CC=N2)N1 AC6767 [0,0,0,1,0,1|2,0,0]=4 412 B13R2.163 O=C1CCOC2=C(C=CC=C2)N1 W18693 [0,0,0,1,0,1|1,0,0]=3 413 B13R2.163 O=C1CNCC2=C(C=CC=C2)N1 D73440 [0,0,0,1,0,1|1,0,0]=3 414 B13R2.423 O=C(O)C1CC1C2=NN=CC=C2 C93038 [0,0,0,1,0,1|2,0,0]=4 415 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P18907 [0,0,0,1,0,1|0,0,0]=2 416 B13R2.423 O=[N+]([O-])[C@H]1CC1C2=CC=CC=C2 P14853 [0,0,0,1,0,1|1,0,1]=4 417 B13R2.3122 O=S1(=O)CCNC2=C1C=CC=C2 AT25437 [0,0,0,1,0,1|1,0,1]=4 418 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)C1 91860 [0,1,0,1,0,0|1,0,0]=3 419 B13R2.147 O=C1C[C@@H](C2=CC=C(F)C=C2)N1 D77336 [0,1,0,1,0,0|1,0,0]=3 420 B13R2.147 O[C@H]1C[C@H](C2=CC=C(F)C=C2)C1 91836 [0,1,0,1,0,0|1,0,1]=4 421 B13R2.155 C[C@H]1CCC2=C(C=C(Br)C=C2)O1 94713 [0,1,0,1,0,0|1,0,1]=4 422 B13R2.155 NC1=CC2=C(C=C1)CC[C@H](O)C2 94668 [0,1,0,1,0,0|1,0,1]=4 423 B13R2.155 NC1=CC2=C(C=C1)COC(=O)N2 AC2800 [0,1,0,1,0,0|2,0,0]=4 424 B13R2.155 NC1=CC2=C(C=C1)NCC(=O)N2 51502 [0,1,0,1,0,0|2,0,0]=4 425 B13R2.155 NC1=CC2=C(C=C1)SCC(=O)N2 C91656 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)O1 D83247 [0,1,0,1,0,0|0,0,2]=4 427 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)O1 94712 [0,1,0,1,0,0|0,0,0]=2 428 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 36498 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.155 O=C1NC2=C(C=CC(F)=C2)CO1 AC4752 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.155 O=C1NCC2=C(C=C(Br)C=C2)N1 I10948 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.155 O[C@H]1CCC2=C(C=C(Br)C=C2)C1 94667 [0,1,0,1,0,0|1,0,1]=4 432 B13R2.4930 O=C(O)[C@@H]1CC2=C1C=C(F)C=C2 AT11819 [0,1,0,1,0,0|0,0,0]=2 433 B13R2.27 O=C1CCN1CC2=CC=CC=C2 68650 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 D76287 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.32 N[C@@H]1C(=O)NCC2=C1C=CC=C2 C14948 [0,1,0,1,0,0|2,0,0]=4 436 B13R2.32 O=C1C2=C(C=CC=C2)CC[C@@H]1Cl 51879 [0,1,0,1,0,0|1,0,1]=4 437 B13R2.33 O=C1CCC2=C(CC1)N=CC=C2 AT25963 [0,1,0,1,0,0|2,0,0]=4 438 B13R2.57 N#C[C@@H]1CCC2=C(C=CC=C2)O1 50373 [0,1,0,1,0,0|1,0,1]=4 439 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50369 [0,1,0,1,0,0|1,0,1]=4 440 B13R2.57 OC[C@H]1CCC2=C(C=CC=C2)N1 C75079 [0,1,0,1,0,0|1,0,1]=4 441 B13R2.15272 O=C(CBr)[C@@H]1CC2=C1C=CC=C2 AT20399 [0,1,0,1,0,0|1,0,0]=3 442 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [0,1,0,1,0,0|1,0,0]=3 444 B13R2.369 N[C@H]1CC2=C(C=CC=N2)NC1=O C13580 [0,1,0,1,0,0|2,0,0]=4 445 B13R2.369 N[C@H]1CC2=C(C=CN=C2)NC1=O C13586 [0,1,0,1,0,0|2,0,0]=4 446 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 C73379 [0,1,0,1,0,0|1,0,0]=3 447 B13R2.328 C[C@H]1CC(=O)NC2=C1C=CC=C2 F18223 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 D76212 [0,1,0,1,0,0|0,0,2]=4 449 B13R2.216 O=C1CC(C2=C(Cl)C=CC=C2)C1 AC2850 [0,1,0,1,0,0|1,0,0]=3 450 B13R2.222 CC1(C)CCC2=C(C=CC=C2)O1 F30281 [0,1,0,1,0,0|1,0,1]=4 451 B13R2.5179 NC1=CC=CC2=C1COC(=O)N2 AC2657 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2O1 E70217 [0,1,0,1,0,0|0,0,2]=4 453 B13R2.5179 O=C1CCC2=C(C=CC=C2O)C1 88359 [0,1,0,1,0,0|1,0,0]=3 454 B13R2.5179 O=C1CCC2=C(F)C=CC=C2N1 69694 [0,1,0,1,0,0|1,0,0]=3 455 B13R2.5179 O=C1COC2=C(Br)C=CC=C2C1 50664 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.5179 O=C1COC2=C(Br)C=CC=C2N1 69214 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.5179 O=C1COC2=C(Cl)C=CC=C2N1 AC6385 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.5179 O=C1CSC2=C(Br)C=CC=C2N1 69221 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.5179 O=C1NC2=CC=CC(Cl)=C2CO1 AC4761 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.151 O=C1CC(C2=CC=CC(F)=C2)C1 91864 [0,1,0,1,0,0|1,0,0]=3 461 B13R2.151 O[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1 91840 [0,1,0,1,0,0|1,0,1]=4 462 B13R2.151 O[C@H]1C[C@H](C2=CC=CC(F)=C2)C1 91841 [0,1,0,1,0,0|1,0,1]=4 463 B13R2.162 NC1=C2NC(=O)CCC2=CC=C1 O11667 [0,1,0,1,0,0|1,0,0]=3 464 B13R2.162 NC1=CC=CC2=C1NC(=O)OC2 AC4366 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 Y10670 [0,1,0,1,0,0|1,0,0]=3 466 B13R2.162 O=C1CSC2=CC=CC(Cl)=C2N1 H11555 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.162 O=C1NC2=C(Br)C=CC=C2CO1 AC4475 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.162 O=C1NC2=C(Cl)C=CC=C2CO1 AC4791 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.162 O=C1NC2=C(F)C=CC=C2CO1 AC4757 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CO2 AC6060 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)OC2 AC7323 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 25433 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.3683 O=C1NC2=C(C=C(F)C=C2)CO1 AC4756 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.3683 O=C1NC2=C(C=C(I)C=C2)CO1 AC5099 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.12 O=CCCN1C=CC=N1 H11819 [1,0,0,0,1,0|2,0,0]=4 476 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [0,0,0,0,2,0|2,0,0]=4 477 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,0,0,0,2,0|1,0,1]=4 478 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,0,0,0,2,0|0,0,0]=2 479 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,0,0,0,2,0|2,0,0]=4 480 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,0,0,0,2,0|2,0,0]=4 481 B9R1.13 NC(=O)CC1=CC=CN1 72456 [0,0,0,0,2,0|2,0,0]=4 482 B9R1.13 O=C(O)CC1=CC=NN1 79593 [0,0,0,0,2,0|2,0,0]=4 483 B9R1.13 O=C(O)CC1=CNN=C1 AT16113 [0,0,0,0,2,0|2,0,0]=4 484 B9R1.13 O=C(O)CC1=CSC=N1 AC3265 [0,0,0,0,2,0|2,0,0]=4 485 B13R1.337 CC(=O)NCCSC1=CC=CC=C1 AT24197 [0,0,0,0,0,2|1,0,0]=3 486 B13R1.337 CC(=O)OCCCC1=CC=NC=C1 AC9652 [0,0,0,0,0,2|2,0,0]=4 487 B13R1.337 C[C@H](O)CCOCC1=CC=CC=C1 AT15545 [0,0,0,0,0,2|1,0,1]=4 488 B13R1.337 O=C(O)\C=C\OCC1=CC=CC=C1 AC8498 [0,0,0,0,0,2|0,0,1]=3 489 B13R1.337 O=[N+]([O-])CC\C=C\C1=CC=CC=C1 F15310 [0,0,0,0,0,2|1,0,1]=4