0 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.91 CC(C)NCC1=CC=CN=C1 AC5151 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 CC(C)NCC1=CC=NC=C1 AC6648 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 CCCCC1=CC=CN=N1 O10974 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 CNNCC1=NC=CC=C1 30190 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 NCCNC1=NC=CC=C1 O12009 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.17 OCCCC1=CCC=CC1 72320 [1,0,0,0,0,0|0,0,2]=3 26 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 OCCOC1=NC=CC=C1 C90307 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.17 OC\C=C\C1=CC=NC=C1 AC1120 [1,0,0,0,0,0|1,0,2]=4 30 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,0,0,0,0,0|1,1,0]=3 31 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,0,0,0,0,0|1,1,0]=3 32 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,1,0,0,0,0|1,0,2]=4 33 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 C78335 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 C78202 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 C77883 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 C78123 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.21 C[C@H](N)CCC1=CC=C(Br)C=C1 84991 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.21 C[C@H](N)CCC1=CC=C(O)C=C1 N14377 [0,1,0,0,0,0|1,0,0]=2 40 B12R1.21 C[C@H](N)COC1=CC=C(Br)C=C1 C78409 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.21 C[C@H](N)COC1=CC=C(F)C=C1 C77796 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 O10876 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 W16385 [0,1,0,0,0,0|0,0,3]=4 45 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [0,1,0,0,0,0|1,0,1]=3 46 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.43 C[C@H](N)C(=O)NC1=CC=CC=C1 F15365 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.43 C[C@H](N)C(=O)OC1=CC=CC=C1 F52322 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O N12543 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.43 O=C(O)[C@@H](O)CC1=CN=CC=C1 AT17758 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,1,0,0,0,0|1,0,1]=3 54 B12R1.107 CC(C)CC(=O)C1=CN=CC=C1 F30170 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 F30232 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.107 CC(C)C[C@H](N)C1=CC=NC=C1 AC7589 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.107 CC(C)C[C@H](O)C1=CN=CC=C1 F50992 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 C78399 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 N12985 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 50989 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [0,1,0,0,0,0|1,0,2]=4 63 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 C78572 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 C78237 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 C78588 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.125 CC(C)OCC1=C(Br)C=CC=C1 N10193 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,1,0,0,0,0|1,0,1]=3 68 B12R1.125 O=C(O)CCN1C=CC=CC1=O O10863 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 CL8802 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 61030 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.125 O=C(O)CSC1=C(Br)C=CC=C1 AT20945 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.125 O=C(O)CSC1=C(O)C=CC=C1 AT20931 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 C77759 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 C78565 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 C78564 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 F20261 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 C78583 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.226 CC1=CC=CC(OC[C@H](C)N)=C1 F50497 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 AT20929 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 F20007 [0,1,0,0,0,0|1,0,2]=4 81 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [0,1,0,0,0,0|1,0,2]=4 82 B12R1.226 O=C(O)CCC1=CC(Br)=CN=C1 F30870 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 T72496 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.891 [2H]C([2H])(O)COC1=CC=CC=C1 D99604 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.891 [2H]C([2H])([2H])NCC1=CC=CC=C1 D98771 [0,1,0,0,0,0|3,0,0]=4 86 B12R2.22 BrC1CC(C2=CC=CC=C2)C1 AT17150 [0,0,0,1,0,0|1,0,0]=2 87 B12R2.22 NC1CC(C2=CC=CN=C2)C1 F53675 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P20296 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [0,0,0,1,0,0|1,0,2]=4 90 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,0,0,1,0,0|1,0,2]=4 91 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [0,0,0,1,0,0|0,0,0]=1 92 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,0,0,1,0,0|1,0,0]=2 93 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 F50994 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [0,0,0,1,0,0|2,0,0]=3 97 B12R2.24 C[C@H]1CNC2=C(C=CN=C2)O1 AT21909 [0,0,0,1,0,0|2,0,0]=3 98 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,0,0,1,0,0|2,0,0]=3 99 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 F20762 [0,0,0,1,0,0|2,0,0]=3 100 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,0,0,1,0,0|1,0,0]=2 101 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,0,0,1,0,0|1,0,0]=2 102 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,0,0,1,0,0|1,0,0]=2 103 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,0,0,1,0,0|1,0,2]=4 104 B12R2.24 O[C@H]1CCC2=C(C=CC=N2)C1 D78688 [0,0,0,1,0,0|1,0,0]=2 105 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 AC5083 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.2403 CC1(C)CNC2=CC=CN=C21 85485 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,1,0|1,0,2]=4 108 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,0,0,0,1,0|2,0,0]=3 109 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,0,0,0,1,0|2,0,0]=3 110 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,0,0,0,1,0|2,0,0]=3 111 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,0,0,0,1,0|0,0,0]=1 112 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,0,0,0,1,0|0,0,0]=1 113 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,0,0,0,1,0|2,0,1]=4 114 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,1,0|2,0,1]=4 115 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,0,0,0,1,0|2,0,0]=3 116 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [0,0,0,0,0,1|1,0,2]=4 117 B12R1.252 CN(C)\C=N\CC1=CC=CC=C1 F53333 [0,0,0,0,0,1|2,0,1]=4 118 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [0,0,0,0,0,1|1,0,0]=2 119 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [0,0,0,0,0,1|1,0,0]=2 120 B12R1.252 C[C@H](O)CCCC1=CN=CC=C1 F53169 [0,0,0,0,0,1|1,0,0]=2 121 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [0,0,0,0,0,1|0,0,0]=1 122 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [0,0,0,0,0,1|0,0,0]=1 123 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [0,0,0,0,0,1|0,0,0]=1 124 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [0,0,0,0,0,1|1,0,2]=4 125 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 AT25408 [0,0,0,0,0,1|1,0,2]=4 126 B12R1.252 O=C(O)CCCC1=CN=CC=C1 AT25838 [0,0,0,0,0,1|2,0,1]=4 127 B12R1.252 O=C(O)CCNC1=CC=NC=C1 W15226 [0,0,0,0,0,1|2,0,1]=4 128 B12R1.252 O=C(O)CCNC1=NC=CC=C1 65602 [0,0,0,0,0,1|2,0,1]=4 129 B9R1.8 BrCCC1=CN=CC=C1 C77647 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.8 CCCC1=CC=CN=C1 O11051 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.8 CNNC1=CC=CC=C1 C77159 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.8 FCCC1=CC=CC=C1 75534 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.8 NCCC1=CC=CC=C1 T71816 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.8 NCCC1=CC=CC=C1 T72591 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.8 OCCC1=CC=NC=C1 T72404 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.8 OCCC1=NN=CC=C1 D77083 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.8 SCCC1=NC=CC=C1 F18309 [2,0,0,0,0,0|1,1,0]=4 139 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.1 CONCC1=CC=C(Br)C=C1 N11596 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.1 NC1=CC=C(OCCCl)C=C1 72016 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.1 NC1=CC=C(OCCO)C=C1 F16836 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.1 NCCSC1=CC=C(Br)C=C1 C78402 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.1 OCC#CC1=CC=C(Br)C=C1 A50682 [1,1,0,0,0,0|0,0,2]=4 152 B11R1.1 OCCNC1=CC=C(F)C=C1 I11182 [1,1,0,0,0,0|1,0,0]=3 153 B11R1.1 OCCOC1=NC=C(Br)C=C1 F19748 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.1 OCCSC1=CC=C(Br)C=C1 AT20956 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 AT26502 [1,1,0,0,0,0|0,0,2]=4 156 B11R1.16 C#CC[C@H](O)C1=CC=CC=C1 W15219 [1,1,0,0,0,0|0,0,2]=4 157 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [1,1,0,0,0,0|0,0,0]=2 158 B11R1.16 CN(CCBr)C1=CC=CC=C1 W15250 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.16 CN(CCO)C1=CC=NC=C1 AT18109 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [1,1,0,0,0,0|1,0,0]=3 164 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [1,1,0,0,0,0|0,0,0]=2 166 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.17 CC1=CC=CN=C1CCCN W10139 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.17 NCCCN1C=CC=CC1=O AT19227 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.17 NCCOC1=C(Cl)C=CC=C1 L10067 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.17 O=C1C=CC=CN1CCCO AT19228 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.17 OCC#CC1=C(Br)C=CC=C1 S11832 [1,1,0,0,0,0|0,0,2]=4 179 B11R1.17 OCC#CC1=C(Cl)C=CC=C1 A50678 [1,1,0,0,0,0|0,0,2]=4 180 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.24 BrCCOC1=CC=CC(Br)=C1 98063 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.24 CC1=CC(CCCN)=NC=C1 W10140 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [1,1,0,0,0,0|0,0,2]=4 185 B11R1.24 CC1=CC=CC(OCCO)=N1 N10107 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93515 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.24 CCNCC1=CC(Br)=CN=C1 F19801 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.24 COCCC1=CC(N)=NC=C1 AT18204 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.24 N#CCCC1=CC=CC(F)=C1 97618 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.24 NC1=CC(CCCO)=NC=C1 AC5942 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.24 NC1=CC=CC(OCCO)=C1 C78268 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [1,1,0,0,0,0|0,0,2]=4 199 B11R1.24 OCCNC1=CC(Cl)=NC=C1 98044 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.24 OCCOC1=CC(Cl)=CN=C1 AT19859 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.24 [C-]#[N+]CCC1=CC=CC(F)=C1 50335 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [1,1,0,0,0,0|0,0,0]=2 204 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [1,1,0,0,0,0|0,0,2]=4 205 B11R1.28 NNCCOC1=CC=CC=C1 AC4849 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.28 NOCCOC1=CC=CC=C1 AT21707 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.28 OCCCCC1=CC=NC=C1 31475 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.28 OCCSSC1=NC=CC=C1 AT21148 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [1,1,0,0,0,0|0,0,0]=2 210 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [1,1,0,0,0,0|0,0,2]=4 211 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [1,1,0,0,0,0|0,0,0]=2 215 B11R1.40 O\N=C(/Cl)CC1=CC=CC=C1 AC6652 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [0,1,0,0,1,0|2,0,0]=4 217 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,1,0,0,1,0|1,0,0]=3 218 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,1,0,0,1,0|1,0,0]=3 219 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,1,0,0,1,0|1,0,0]=3 220 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,1,0,0,1,0|1,0,0]=3 221 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [0,1,0,0,1,0|1,0,1]=4 222 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,1,0,0,1,0|0,0,2]=4 223 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 74043 [0,1,0,0,1,0|2,0,0]=4 224 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y10672 [0,1,0,0,1,0|2,0,0]=4 225 B11R1.36 CC(C)[C@H](O)C1=CN=CC=C1 AC2743 [0,1,0,0,1,0|2,0,0]=4 226 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,1,0,0,1,0|0,0,0]=2 227 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,1,0,0,1,0|0,0,0]=2 228 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,1,0,0,1,0|0,0,0]=2 229 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,1,0,0,1,0|0,0,0]=2 230 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [0,1,0,0,1,0|1,0,1]=4 231 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,1,0,0,1,0|0,0,0]=2 232 B11R1.36 N[C@H](C1=CC=CC=C1)C(F)F 94363 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21493 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.86 CC(C)NC1=C(Br)C=CC=C1 C77931 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.86 CC(C)NC1=C(Cl)C=CC=C1 C78464 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.86 CC(C)NC1=C(F)C=CC=C1 C77765 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.86 CC(C)NC1=C(S)C=CC=C1 AC8476 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [0,1,0,0,1,0|1,0,0]=3 239 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [0,1,0,0,1,0|1,0,0]=3 240 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [0,1,0,0,1,0|1,0,0]=3 241 B11R1.86 C[C@H](O)CC1=C(Br)C=NC=C1 AT12941 [0,1,0,0,1,0|1,0,0]=3 242 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,1,0,0,1,0|0,0,2]=4 243 B11R1.157 CC(C)CC1=CC=CC(N)=C1 O11024 [0,1,0,0,1,0|1,0,0]=3 244 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 C77831 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 C78133 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.157 CC1=CC=CC(C[C@H](C)N)=C1 N11054 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 E72139 [0,1,0,0,1,0|1,0,0]=3 248 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 83690 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 N11066 [0,1,0,0,1,0|1,0,0]=3 250 B11R1.157 C[C@H](N)CC1=CC=CC(F)=C1 N10878 [0,1,0,0,1,0|1,0,0]=3 251 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [0,1,0,0,1,0|1,0,1]=4 252 B11R1.157 OB(O)CC1=CC=CC(F)=C1 D79888 [0,1,0,0,1,0|2,0,0]=4 253 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 AC4724 [0,1,0,0,1,0|1,0,0]=3 254 B11R1.509 [2H]C([2H])([2H])CC1=CC=CC=C1 D99355 [0,1,0,0,1,0|2,0,0]=4 255 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 76887 [0,1,0,0,0,1|1,0,1]=4 256 B13R1.45 C[C@H](O)CNC(=O)C1=CC=CC=C1 32386 [0,1,0,0,0,1|0,0,1]=3 257 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10006 [0,1,0,0,0,1|1,0,1]=4 258 B13R1.149 NC1=CC=CC(CCCC(=O)O)=C1 C16710 [0,1,0,0,0,1|1,0,1]=4 259 B13R1.149 O=C(O)CCOC1=CC=CC(Br)=C1 F13496 [0,1,0,0,0,1|1,0,1]=4 260 B13R1.149 O=C(O)CNCC1=CC=CC(Cl)=C1 W19303 [0,1,0,0,0,1|1,0,1]=4 261 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 AC5730 [0,1,0,0,0,1|1,0,1]=4 262 B13R1.158 NC1=C(CCCC(=O)O)C=CC=C1 F17094 [0,1,0,0,0,1|1,0,1]=4 263 B13R1.158 O=C(O)CNCC1=C(Cl)C=CC=C1 W15239 [0,1,0,0,0,1|1,0,1]=4 264 B13R1.158 O=C(O)CNCC1=C(F)C=CC=C1 W16594 [0,1,0,0,0,1|1,0,1]=4 265 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53133 [0,1,0,0,0,1|2,0,0]=4 266 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 AT22332 [0,1,0,0,0,1|2,0,0]=4 267 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 C78125 [0,1,0,0,0,1|2,0,0]=4 268 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 D86017 [0,1,0,0,0,1|1,0,1]=4 269 B13R1.351 C[C@H](O)[C@H](C)OCC1=CC=CC=C1 P19299 [0,1,0,0,0,1|0,0,0]=2 270 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O C12171 [0,1,0,0,0,1|1,0,1]=4 271 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O C16268 [0,1,0,0,0,1|1,0,1]=4 272 B13R1.513 CC(=O)CCSC1=CC=C(O)C=C1 FD10618 [0,1,0,0,0,1|0,0,2]=4 273 B13R1.513 CC(=O)NCCC1=CC=C(Br)C=C1 F16684 [0,1,0,0,0,1|0,0,2]=4 274 B13R1.513 CC(C)CNCC1=CC=C(Br)C=C1 11874 [0,1,0,0,0,1|1,0,0]=3 275 B13R1.513 CN(C)CCOC1=CC=C(N)C=C1 C78357 [0,1,0,0,0,1|2,0,0]=4 276 B13R1.718 COC(=O)NCCC1=CC=CC=C1 F15323 [0,1,0,0,0,1|0,0,2]=4 277 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 50122 [0,1,0,0,0,1|0,0,0]=2 278 B13R1.718 NC[C@H](F)COCC1=CC=CC=C1 92939 [0,1,0,0,0,1|1,0,0]=3 279 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 77446 [0,1,0,0,0,1|0,0,0]=2 280 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 AT18638 [0,1,0,0,0,1|0,0,0]=2 281 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 AT18639 [0,1,0,0,0,1|0,0,0]=2 282 B13R1.718 N[C@@H](CO)CSCC1=CC=CC=C1 AT13352 [0,1,0,0,0,1|1,0,0]=3 283 B13R1.718 O[C@H](CBr)COCC1=CC=CC=C1 T70304 [0,1,0,0,0,1|0,0,0]=2 284 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 C12977 [0,1,0,0,0,1|0,0,0]=2 285 B13R1.718 O[C@H](CCl)COCC1=CC=CC=C1 D72522 [0,1,0,0,0,1|0,0,0]=2 286 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 98172 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.3 COC1=CC=C(OC[C@H](C)N)C=C1 C78551 [0,2,0,0,0,0|2,0,0]=4 288 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 A12447 [0,2,0,0,0,0|1,0,1]=4 289 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C77100 [0,2,0,0,0,0|0,0,2]=4 290 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Cl)C=C1 N12881 [0,2,0,0,0,0|1,0,0]=3 291 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Cl)C=C1 N14470 [0,2,0,0,0,0|1,0,0]=3 292 B13R1.132 CC1=CC=C([C@@H](N)CC(C)C)C=C1 N14476 [0,2,0,0,0,0|1,0,0]=3 293 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50480 [0,2,0,0,0,0|1,0,1]=4 294 B13R1.133 CC(C)C(=O)CC1=CC=C(Br)C=C1 N12783 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.133 CC(C)C(=O)CC1=CC=C(Cl)C=C1 N12699 [0,2,0,0,0,0|1,0,1]=4 296 B13R1.133 CC(C)[C@@H](N)CC1=CC=C(Cl)C=C1 N12824 [0,2,0,0,0,0|1,0,0]=3 297 B13R1.133 CC(C)[C@@H](N)CC1=CC=C(F)C=C1 N12963 [0,2,0,0,0,0|1,0,0]=3 298 B13R1.133 CC1=CC=C(CC(=O)C(C)C)C=C1 N12878 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.133 CC1=CC=C(C[C@H](N)C(C)C)C=C1 N14553 [0,2,0,0,0,0|1,0,0]=3 300 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12225 [0,2,0,0,0,0|1,0,1]=4 301 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 AC3378 [0,2,0,0,0,0|1,0,1]=4 302 B13R1.133 [15NH2][C@@H](CC1=CC=C(O)C=C1)C(=O)O 41413 [0,2,0,0,0,0|1,0,1]=4 303 B13R1.164 CC(C)NCC1=C(Cl)C=C(Cl)C=C1 N14374 [0,2,0,0,0,0|2,0,0]=4 304 B13R1.164 CC(C)NCC1=C(Cl)C=C(Cl)C=C1 N14375 [0,2,0,0,0,0|2,0,0]=4 305 B13R1.164 CC(C)OCC1=C(Br)C=C(F)C=C1 N10219 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.164 CC1=C(CCC(=O)O)C=CC(Br)=C1 F52885 [0,2,0,0,0,0|1,0,1]=4 307 B13R1.164 CC1=C(CCC(=O)O)C=CC(Cl)=C1 F52883 [0,2,0,0,0,0|1,0,1]=4 308 B13R1.164 CC1=CC(Cl)=C(CCC(=O)O)C=C1 F52923 [0,2,0,0,0,0|1,0,1]=4 309 B13R1.164 O=C(O)CCC1=C(Br)C=C(Cl)C=C1 F52880 [0,2,0,0,0,0|1,0,1]=4 310 B13R1.164 O=C(O)CCC1=C(F)C=C(O)C=C1 F13493 [0,2,0,0,0,0|1,0,1]=4 311 B13R1.511 CC(=O)CCC1=CC(Cl)=C(Cl)C=C1 W12660 [0,2,0,0,0,0|0,0,2]=4 312 B13R1.511 CC1=C(Br)C=CC(CCC(=O)O)=C1 F52924 [0,2,0,0,0,0|1,0,1]=4 313 B13R1.511 O=C(O)CCC1=CC(Br)=C(Cl)C=C1 F52873 [0,2,0,0,0,0|1,0,1]=4 314 B13R1.511 O=C(O)CCC1=CC(Br)=C(O)C=C1 F52922 [0,2,0,0,0,0|1,0,1]=4 315 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Br)C=C1 F52872 [0,2,0,0,0,0|1,0,1]=4 316 B13R1.511 O=C(O)CCC1=CC(Cl)=C(F)C=C1 F52870 [0,2,0,0,0,0|1,0,1]=4 317 B13R1.511 O=C(O)CCC1=CC(Cl)=C(O)C=C1 F52918 [0,2,0,0,0,0|1,0,1]=4 318 B13R1.511 O=C(O)CCC1=CC(F)=C(O)C=C1 F52917 [0,2,0,0,0,0|1,0,1]=4 319 B13R1.511 O=C(O)CCC1=CC(O)=C(Cl)C=C1 F52919 [0,2,0,0,0,0|1,0,1]=4 320 B13R1.512 CC(C)(C)NCC1=CC=C(Br)C=C1 C78522 [0,2,0,0,0,0|2,0,0]=4 321 B13R1.512 CC(C)(C)NCC1=CC=C(Cl)C=C1 C78239 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.512 CC(C)(C)NCC1=CC=C(F)C=C1 C77825 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.512 CC(C)(O)COC1=CC=C(Br)C=C1 D85808 [0,2,0,0,0,0|1,0,0]=3 324 B13R1.512 CC(C)(O)COC1=NC=C(Br)C=C1 96552 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.512 CC1=CC=C(CNC(C)(C)C)C=C1 C78306 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 28085 [0,2,0,0,0,0|0,0,2]=4 327 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 75007 [0,2,0,0,0,0|0,0,2]=4 328 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 N12271 [0,2,0,0,0,0|0,0,2]=4 329 B13R1.42 CCC[C@H](O)CCC1=CC=CC=C1 F19746 [0,2,0,0,0,0|0,0,0]=2 330 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12610 [0,2,0,0,0,0|0,0,2]=4 331 B13R1.254 C#CC(C)(C)OCC1=CC=CC=C1 70201 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.254 CC(C)(CO)NCC1=CC=CC=C1 C14021 [0,2,0,0,0,0|1,0,0]=3 333 B13R1.254 CC(C)(CO)NCC1=CC=CC=C1 Y10251 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.254 CC(C)(CO)OCC1=CC=CC=C1 AC7256 [0,2,0,0,0,0|1,0,0]=3 335 B13R1.417 CCC(CC)NCC1=CC=CC=C1 79980 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.417 CCN(CC)CCC1=CC=CC=C1 F12469 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.417 CC[C@@H](CO)NCC1=CC=CC=C1 AT20438 [0,2,0,0,0,0|1,0,0]=3 338 B13R1.417 CC[C@@H](CO)NCC1=CC=CC=C1 AT20477 [0,2,0,0,0,0|1,0,0]=3 339 B13R1.417 COC(CNC1=CC=CC=C1)OC H10179 [0,2,0,0,0,0|1,0,0]=3 340 B13R1.528 CNC(=O)CCC1=C(Br)C=CC=C1 W10434 [0,2,0,0,0,0|0,0,2]=4 341 B13R1.148 CC(C)C(=O)CC1=CC=CC(Br)=C1 N14160 [0,2,0,0,0,0|1,0,1]=4 342 B13R1.148 CC(C)C(=O)CC1=CC=CC(F)=C1 N14140 [0,2,0,0,0,0|1,0,1]=4 343 B13R1.148 CC(C)[C@@H](N)CC1=CC=CC(Br)=C1 N14534 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.148 CC(C)[C@@H](N)CC1=CC=CC(Cl)=C1 N14530 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.148 CC(C)[C@@H](N)CC1=CC=CC(F)=C1 N14523 [0,2,0,0,0,0|1,0,0]=3 346 B13R1.148 CC1=CC=CC(CC(=O)C(C)C)=C1 N14168 [0,2,0,0,0,0|1,0,1]=4 347 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 N14313 [0,2,0,0,0,0|1,0,1]=4 348 B13R1.148 C[C@@H](CC1=CC=CC(Br)=C1)C(=O)O 91423 [0,2,0,0,0,0|1,0,1]=4 349 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y11481 [0,2,0,0,0,0|1,0,1]=4 350 B13R1.148 O=C(O)[C@@H](O)CC1=CC(O)=CC=C1 AC5897 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(Br)=C1 AC5087 [0,2,0,0,0,0|1,0,1]=4 352 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 AC5720 [0,2,0,0,0,0|1,0,1]=4 353 B13R1.152 NC(C(=O)O)C(Cl)C1=CC=CC=C1 H11503 [0,2,0,0,0,0|1,0,1]=4 354 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O F12982 [0,2,0,0,0,0|1,0,1]=4 355 B13R1.202 CC(C)C(=O)CC1=C(Br)C=CC=C1 N12903 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.202 CC(C)[C@@H](N)CC1=C(Br)C=CC=C1 N14509 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.202 CC(C)[C@@H](N)CC1=C(Cl)C=CC=C1 N14498 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.202 CC(C)[C@@H](N)CC1=C(F)C=CC=C1 N14504 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.202 CC1=C(C[C@H](N)C(C)C)C=CC=C1 N14515 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51256 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51262 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51268 [0,2,0,0,0,0|1,0,1]=4 363 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O N12180 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.202 [2H]C1=C(C[C@H](N)C(=O)O)C=CC=C1 D97891 [0,2,0,0,0,0|1,0,1]=4 365 B13R1.353 N[C@@H](CC1=CC=CC=C1)C(F)(F)F AT14523 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.353 N[C@@H](CC1=CC=CC=C1)C(F)(F)F AT14524 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.418 CN(C)[C@H](CN)CC1=CC=CC=C1 89711 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.418 CN(C)[C@H](CN)CC1=CC=CC=C1 89712 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O F10940 [0,2,0,0,0,0|1,0,1]=4 370 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 29553 [0,2,0,0,0,0|1,0,1]=4 371 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87874 [0,2,0,0,0,0|1,0,1]=4 372 B13R1.1073 [2H]C([2H])(CC1=CC=CC=C1)C(=O)O D98699 [0,2,0,0,0,0|1,0,1]=4 373 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Br)=C1 N14471 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Cl)=C1 N14468 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Cl)=C1 N14469 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(F)=C1 N14465 [0,2,0,0,0,0|1,0,0]=3 377 B13R1.147 CC1=CC=CC([C@@H](N)CC(C)C)=C1 N14475 [0,2,0,0,0,0|1,0,0]=3 378 B13R1.147 C[C@@H](CC(=O)O)C1=CC(O)=CC=C1 AC6266 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 62470 [0,2,0,0,0,0|1,0,1]=4 380 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 D86847 [0,2,0,0,0,0|1,0,1]=4 381 B13R1.201 CC(C)C[C@H](N)C1=C(Cl)C=CC=C1 N14466 [0,2,0,0,0,0|1,0,0]=3 382 B13R1.201 CC(C)C[C@H](N)C1=C(Cl)C=CC=C1 N14467 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.201 CC(C)C[C@H](N)C1=C(F)C=CC=C1 N14464 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.201 CC1=C([C@@H](N)CC(C)C)C=CC=C1 N14472 [0,2,0,0,0,0|1,0,0]=3 385 B13R1.201 CC1=C([C@@H](N)CC(C)C)C=CC=C1 N14473 [0,2,0,0,0,0|1,0,0]=3 386 B13R1.201 CC1=C([C@@H](N)CC(C)C)C=CC=C1 N14474 [0,2,0,0,0,0|1,0,0]=3 387 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 N13091 [0,2,0,0,0,0|1,0,1]=4 388 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 N10811 [0,2,0,0,0,0|1,0,1]=4 389 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 N12341 [0,2,0,0,0,0|1,0,1]=4 390 B13R1.352 N[C@@H](CC(F)(F)F)C1=CC=CC=C1 AT15152 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.90 CC(C)COC1=C(C=O)C=CC=C1 F17488 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.150 CC1=C(F)C=CC=C1CCC(=O)O F52892 [0,2,0,0,0,0|1,0,1]=4 393 B13R1.150 CC1=CC=CC(OCC(C)C)=C1N W16231 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.150 O=C(O)CCC1=C(O)C(O)=CC=C1 C78169 [0,2,0,0,0,0|1,0,1]=4 395 B13R1.150 O=C(O)CCC1=CC=CC(Br)=C1Cl 95973 [0,2,0,0,0,0|1,0,1]=4 396 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1F Y11513 [0,2,0,0,0,0|1,0,1]=4 397 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1I 93251 [0,2,0,0,0,0|1,0,1]=4 398 B13R1.150 O=C(O)CCC1=CC=CC(O)=C1Br F52920 [0,2,0,0,0,0|1,0,1]=4 399 B13R1.157 CC(C)(C)NCC1=C(Br)C=CC=C1 C78163 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.157 CC(C)(C)NCC1=C(Cl)C=CC=C1 C78238 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.157 CC(C)(C)NCC1=C(F)C=CC=C1 C78547 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.157 CC(C)(O)CCC1=C(O)C=CC=C1 F52496 [0,2,0,0,0,0|0,0,0]=2 403 B13R1.157 CC1=C(CNC(C)(C)C)C=CC=C1 C77764 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.893 CC(C)OCC1=C(Br)C=CC(F)=C1 N10212 [0,2,0,0,0,0|2,0,0]=4 405 B13R1.893 CC(C)OCC1=C(F)C=CC(Br)=C1 N10299 [0,2,0,0,0,0|2,0,0]=4 406 B13R1.893 CC1=C(CCC(=O)O)C=C(F)C=C1 F52899 [0,2,0,0,0,0|1,0,1]=4 407 B13R1.893 CC1=CC(CCC(=O)O)=C(F)C=C1 F52890 [0,2,0,0,0,0|1,0,1]=4 408 B13R1.893 O=C(O)CCC1=C(Br)C=CC(O)=C1 F52921 [0,2,0,0,0,0|1,0,1]=4 409 B13R1.893 O=C(O)CCC1=C(F)C=CC(F)=C1 F52863 [0,2,0,0,0,0|1,0,1]=4 410 B13R1.643 COC1=CC(CNC(C)C)=CC=C1 C78537 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.643 O=CC1=CC=CC(CCC(=O)O)=C1 F10937 [0,2,0,0,0,0|1,0,1]=4 412 B13R1.838 CC(C)(C)NCC1=CC=CC(Br)=C1 C77856 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.838 CC(C)(C)NCC1=CC=CC(Cl)=C1 C78546 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.838 CC(C)(C)NCC1=CC=CC(F)=C1 C78591 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.838 CC(C)(O)C#CC1=CC(N)=CC=C1 T71233 [0,2,0,0,0,0|0,0,2]=4 416 B13R1.838 CC1=CC=CC(CNC(C)(C)C)=C1 C78162 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.3420 CC1=CC(Br)=CC(CCC(=O)O)=C1 F52886 [0,2,0,0,0,0|1,0,1]=4 418 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Cl)=C1 F52882 [0,2,0,0,0,0|1,0,1]=4 419 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(F)=C1 F52879 [0,2,0,0,0,0|1,0,1]=4 420 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(F)=C1 F52875 [0,2,0,0,0,0|1,0,1]=4 421 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [1,0,0,1,0,0|1,0,0]=3 422 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [1,0,0,1,0,0|1,0,0]=3 423 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [1,0,0,1,0,0|2,0,0]=4 424 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [1,0,0,1,0,0|2,0,0]=4 425 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11926 [1,0,0,1,0,0|2,0,0]=4 426 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [1,0,0,1,0,0|1,0,0]=3 427 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [1,0,0,1,0,0|1,0,0]=3 428 B11R2.20 C1=CC2=C(C=N1)NCCO2 AT21908 [1,0,0,1,0,0|2,0,0]=4 429 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [1,0,0,1,0,0|2,0,0]=4 430 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [1,0,0,1,0,0|0,0,0]=2 431 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [1,0,0,1,0,0|1,0,0]=3 432 B11R2.239 C1=CN=C(C2CNC2)C=C1 F31095 [1,0,0,1,0,0|2,0,0]=4 433 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [1,0,0,1,0,0|1,0,0]=3 434 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [1,0,0,1,0,0|0,0,0]=2 435 B13R2.10 CC1CNC(C2=CC=CC=C2)C1 AT22579 [0,0,0,1,0,1|1,0,0]=3 436 B13R2.10 C[C@H]1CN=C(C2=CC=CC=C2)O1 V10353 [0,0,0,1,0,1|0,0,1]=3 437 B13R2.10 C[C@H]1CN=C(C2=CC=CC=C2)O1 V10354 [0,0,0,1,0,1|0,0,1]=3 438 B13R2.10 C[C@H]1COC(C2=CC=CC=C2)=N1 V10356 [0,0,0,1,0,1|1,0,1]=4 439 B13R2.10 C[C@H]1COC(C2=CC=CC=C2)=N1 V10357 [0,0,0,1,0,1|1,0,1]=4 440 B13R2.10 OC1COC(C2=CC=CC=C2)C1 AT10452 [0,0,0,1,0,1|0,0,0]=2 441 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 30361 [0,0,0,1,0,1|1,0,0]=3 442 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13019 [0,0,0,1,0,1|0,0,2]=4 443 B13R2.72 CC(C)[C@@H]1CNC2=C1C=CC=C2 S10855 [0,0,0,1,0,1|1,0,0]=3 444 B13R2.72 O=C(O)[C@@H]1COC2=C1C=CC=C2 D78639 [0,0,0,1,0,1|1,0,1]=4 445 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 D88113 [0,0,0,1,0,1|1,0,1]=4 446 B13R2.163 CN1CCNC2=C(C=CC=C2)C1 F53503 [0,0,0,1,0,1|2,0,0]=4 447 B13R2.187 ClC1(Cl)C[C@@H]1SC2=CC=CC=C2 T71160 [0,0,0,1,0,1|2,0,0]=4 448 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P18907 [0,0,0,1,0,1|1,0,1]=4 449 B13R2.3122 CC1(C)CCNC2=C1C=CC=C2 86979 [0,0,0,1,0,1|1,0,0]=3 450 B13R2.3122 CC1(C)CCSC2=C1C=CC=C2 82057 [0,0,0,1,0,1|1,0,0]=3 451 B13R2.147 NC1CC(C2=CC=C(Br)C=C2)C1 F53252 [0,1,0,1,0,0|1,0,0]=3 452 B13R2.147 NC1CC(C2=CC=C(Br)C=C2)C1 F53253 [0,1,0,1,0,0|1,0,0]=3 453 B13R2.147 NC1CC(C2=CC=C(F)C=C2)C1 F53254 [0,1,0,1,0,0|1,0,0]=3 454 B13R2.147 NC1CC(C2=CC=C(F)C=C2)C1 F53309 [0,1,0,1,0,0|1,0,0]=3 455 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)C1 91860 [0,1,0,1,0,0|0,0,2]=4 456 B13R2.147 O[C@H]1C[C@H](C2=CC=C(F)C=C2)C1 91836 [0,1,0,1,0,0|0,0,0]=2 457 B13R2.155 C[C@H]1CC2=C(C=CC(F)=C2)CN1 AT19622 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.155 C[C@H]1CC2=C(C=CC(N)=C2)CN1 F13589 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.155 C[C@H]1CCC2=C(C=C(Br)C=C2)O1 94713 [0,1,0,1,0,0|0,0,0]=2 460 B13R2.155 NC1=CC2=C(C=C1)CC[C@H](O)C2 94668 [0,1,0,1,0,0|0,0,0]=2 461 B13R2.155 N[C@@H]1COC2=C(C=C(Cl)C=C2)C1 E72383 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.155 N[C@@H]1COC2=C(C=C(Cl)C=C2)C1 W14985 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)O1 94712 [0,1,0,1,0,0|1,0,1]=4 464 B13R2.155 O[C@H]1CCC2=C(C=C(Br)C=C2)C1 94667 [0,1,0,1,0,0|0,0,0]=2 465 B13R2.527 BrC1=CC=C(OC[C@H]2CO2)C=C1 A12289 [0,1,0,1,0,0|1,0,0]=3 466 B13R2.527 NC1=CC=C(OCC2CC2)C=C1 F20030 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.2988 ClC1=CC=C([C@H]2CC2(Br)Br)C=C1 F11146 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.3791 CC1(C)CNC2=C1C=C(Br)C=C2 85463 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.3791 CC1(C)CNC2=C1C=C(F)C=C2 85459 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.4930 O=C(O)[C@@H]1CC2=C1C=C(F)C=C2 AT11819 [0,1,0,1,0,0|1,0,1]=4 471 B13R2.32 C[C@H]1COC2=C(C=CC=C2)C1=O N13022 [0,1,0,1,0,0|1,0,1]=4 472 B13R2.32 NC1C2=C(C=CC=C2)OCC1O 66095 [0,1,0,1,0,0|1,0,0]=3 473 B13R2.32 O=C1C2=C(C=CC=C2)CC[C@@H]1Cl 51879 [0,1,0,1,0,0|1,0,1]=4 474 B13R2.52 CNC1CC(C2=CC=CN=C2)C1 F53680 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.52 CNC1CC(C2=CC=NC=C2)C1 F53670 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.57 CN[C@@H]1CNC2=C(C=CC=C2)C1 C13061 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.57 N#C[C@@H]1CCC2=C(C=CC=C2)O1 50373 [0,1,0,1,0,0|0,0,1]=3 478 B13R2.57 NC[C@@H]1COC2=C(C=CC=C2)C1 85682 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.57 NC[C@H]1CC2=C(C=CC=C2)CN1 F13533 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.57 NC[C@H]1CC2=C(C=CC=C2)CO1 AC5741 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50369 [0,1,0,1,0,0|0,0,0]=2 482 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)N1 F12484 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.57 NN[C@H]1CCC2=C(C=CC=C2)C1 D87945 [0,1,0,1,0,0|1,0,0]=3 484 B13R2.57 OC[C@H]1CCC2=C(C=CC=C2)N1 C75079 [0,1,0,1,0,0|1,0,0]=3 485 B13R2.57 OC[C@H]1CNC2=C(C=CC=C2)O1 VT1201 [0,1,0,1,0,0|1,0,0]=3 486 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)N1 90254 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.57 OC[C@H]1COC2=C(C=CC=N2)O1 W10535 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 CS1296 [0,1,0,1,0,0|1,0,0]=3 489 B13R2.3203 CC1(CCC2=CC=CC=C2)N=N1 C92244 [0,1,0,1,0,0|1,0,0]=3 490 B13R2.15272 O=C(CBr)[C@@H]1CC2=C1C=CC=C2 AT20399 [0,1,0,1,0,0|0,0,2]=4 491 B13R2.435 C[C@H](O)C1=CC2=C(C=CC=C2)S1 71502 [0,1,0,1,0,0|0,0,2]=4 492 B13R2.238 CC1CC(N)(C2=CC=CC=C2)C1 92973 [0,1,0,1,0,0|1,0,0]=3 493 B13R2.328 N[C@H]1CC2=C(C=CC=C2)N(O)C1 W17569 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.3201 F[C@@]1(C2=CC=CC=C2)CC1(Cl)Cl CS3207 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.12159 CC1(C)C[C@H](N)C2=C1C=CC=C2 AT19561 [0,1,0,1,0,0|1,0,0]=3 496 B13R2.216 O=C1CC(C2=C(Cl)C=CC=C2)C1 AC2850 [0,1,0,1,0,0|0,0,2]=4 497 B13R2.222 CC1(C)CCC2=C(C=CC=C2)N1 AT10904 [0,1,0,1,0,0|1,0,0]=3 498 B13R2.222 CC1(C)CCC2=C(C=CC=C2)N1 C13569 [0,1,0,1,0,0|1,0,0]=3 499 B13R2.222 CC1(C)CCC2=C(C=CC=C2)O1 F30281 [0,1,0,1,0,0|0,0,0]=2 500 B13R2.222 CC1(C)NC2=C(C=CC=C2)CO1 60166 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.222 FC1(F)CNC2=C(C=CC=C2)O1 C90738 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.5179 O=C1CCC2=C(C=CC=C2O)C1 88359 [0,1,0,1,0,0|0,0,2]=4 503 B13R2.151 O=C1CC(C2=CC=CC(F)=C2)C1 91864 [0,1,0,1,0,0|0,0,2]=4 504 B13R2.151 O[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1 91840 [0,1,0,1,0,0|0,0,0]=2 505 B13R2.151 O[C@H]1C[C@H](C2=CC=CC(F)=C2)C1 91841 [0,1,0,1,0,0|0,0,0]=2 506 B13R2.162 C[C@H]1CNC2=CC=CC(Br)=C2O1 69217 [0,1,0,1,0,0|1,0,0]=3 507 B13R2.162 N[C@@H]1COC2=C(C1)C(O)=CC=C2 66250 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 Y10670 [0,1,0,1,0,0|0,0,2]=4 509 B13R2.3020 FC1(F)C[C@@H]1C2=CC=CC(Br)=C2 W16966 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.3108 CC1(C)CNC2=C1C=CC(F)=C2 85439 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.3108 CC1(C)COC2=C1C=CC(N)=C2 F12398 [0,1,0,1,0,0|2,0,0]=4 512 B13R2.3683 CN1CCC2=C(C=CC(Br)=C2)C1 98419 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.3683 C[C@H]1CC2=C(C=C(Br)C=C2)CN1 AT22658 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.3683 C[C@H]1CC2=C(C=C(O)C=C2)CN1 96725 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.3683 C[C@H]1CCC2=C(C=CC(F)=C2)N1 51483 [0,1,0,1,0,0|1,0,0]=3 516 B13R2.3683 C[C@H]1CCC2=C(C=CC(F)=C2)N1 51485 [0,1,0,1,0,0|1,0,0]=3 517 B13R2.3683 C[C@H]1CNC2=C(C=CC(Cl)=C2)O1 77474 [0,1,0,1,0,0|1,0,0]=3 518 B13R2.5331 FC1=CC(OC[C@H]2CO2)=CC=C1 28186 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.12 CNCCC1=CC=CS1 AT16732 [1,0,0,0,1,0|2,0,0]=4 520 B9R1.12 ICCCC1=CC=CS1 AC6959 [1,0,0,0,1,0|2,0,0]=4 521 B9R1.12 OCCCC1=CON=C1 C14065 [1,0,0,0,1,0|2,0,0]=4 522 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,0,0,0,2,0|2,0,0]=4 523 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,0,0,0,2,0|2,0,0]=4 524 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,0,0,0,2,0|2,0,0]=4 525 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,0,0,0,2,0|2,0,0]=4 526 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,0,0,0,2,0|2,0,0]=4 527 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,0,0,0,2,0|1,0,1]=4 528 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [0,0,0,0,2,0|2,0,0]=4 529 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [0,0,0,0,2,0|2,0,0]=4 530 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [0,0,0,0,2,0|2,0,0]=4 531 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [0,0,0,0,2,0|2,0,0]=4 532 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,0,0,0,2,0|1,0,0]=3 533 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,0,0,0,2,0|1,0,0]=3 534 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,0,0,0,2,0|1,0,0]=3 535 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,0,0,0,2,0|1,0,0]=3 536 B13R1.337 CC(=O)NCCSC1=CC=CC=C1 AT24197 [0,0,0,0,0,2|0,0,2]=4 537 B13R1.337 CC(C)CCNCC1=CC=CC=C1 F52160 [0,0,0,0,0,2|1,0,0]=3 538 B13R1.337 CN(C)CCCOC1=CC=CC=C1 S10605 [0,0,0,0,0,2|2,0,0]=4 539 B13R1.337 C[C@H](O)CCOCC1=CC=CC=C1 AT15545 [0,0,0,0,0,2|0,0,0]=2