0 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.8 IC#CC1=CC=CC=C1 N11813 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 NNCC1=NC=CC=C1 P10521 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 OCCC1=NN=CC=C1 D77083 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,0|1,1,1]=4 25 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C91526 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.20 FC1=CC=C(OC(=S)Cl)C=C1 T72468 [0,1,0,0,0,0|2,1,0]=4 36 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 28377 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 C16184 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.20 NC(=O)CC1=NN=C(Cl)C=C1 W10904 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 63680 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.36 C[C@@H](C(=O)[O-])C1=NC=CN=C1 97744 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT10021 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 F15634 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 AC3554 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.36 N[C@@H](C(=O)O)C1=NC=CN=C1 66504 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.36 N[C@H](C1=CC=CC=C1)C(F)F 94363 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21493 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.36 [2H]C([2H])=C([2H])C1=CC=CC=C1 D99675 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [0,1,0,0,0,0|2,1,0]=4 59 B11R1.40 COC(=O)CC1=CN=CN=C1 AT13806 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.40 Cl\C=C(\Cl)OC1=CC=CC=C1 W12901 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.40 NNC(=O)CC1=NC=CC=C1 AT10923 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.40 O=C(CCl)NC1=CN=CC=C1 C78463 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.40 O\N=C(/Cl)CC1=CC=CC=C1 AC6652 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.86 CC(=O)NC1=C(Br)C=CC=N1 F18386 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 D71943 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.86 CC(=O)NC1=C(N)C=CN=C1 C16214 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 81280 [0,1,0,0,0,0|2,1,0]=4 76 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.86 CC1=NC=CN=C1CC(=O)O A51230 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.86 C[C@H](O)CC1=C(Br)C=NC=C1 AT12941 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.157 CC(=O)NC1=CC=CC(Cl)=N1 F17978 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.157 CC(C)CC1=CC=CC(N)=C1 O11024 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.157 CC1=CC(CC(=O)O)=NC=N1 C91524 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 AC5601 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.157 CC1=CC=CC(C[C@H](C)N)=C1 N11054 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 E72139 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 83690 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 N11066 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.157 C[C@H](N)CC1=CC=CC(F)=C1 N10878 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C12447 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.157 N=C(N)NC1=CC=CC(F)=C1 C16183 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.157 N=C(N)NC1=CC=CC(O)=C1 S11159 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 S12253 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 N10485 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y10709 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 AT23257 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.157 OB(O)CC1=CC=CC(F)=C1 D79888 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 AC4724 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.509 O=S(=O)(Cl)CC1=CC=NC=C1 AR1991 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.509 O=S(=O)(Cl)CC1=CN=CC=C1 AR1640 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.509 [2H]C([2H])([2H])CC1=CC=CC=C1 D99355 [0,1,0,0,0,0|2,0,1]=4 106 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [0,0,0,1,0,0|2,0,1]=4 107 B11R2.10 CC1=NC2=C(C=NC=C2)O1 A11329 [0,0,0,1,0,0|3,0,0]=4 108 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [0,0,0,1,0,0|1,0,1]=3 109 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C74663 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.10 ClC1=NC2=C(C=CN=C2)O1 C72870 [0,0,0,1,0,0|3,0,0]=4 111 B11R2.10 FC1=NC2=C(C=CC=C2)S1 T71604 [0,0,0,1,0,0|2,1,0]=4 112 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [0,0,0,1,0,0|2,0,0]=3 113 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [0,0,0,1,0,0|2,0,1]=4 114 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [0,0,0,1,0,0|2,0,1]=4 115 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [0,0,0,1,0,0|2,0,1]=4 116 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [0,0,0,1,0,0|0,1,0]=2 117 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [0,0,0,1,0,0|2,0,0]=3 118 B11R2.10 O=C1NC2=C(C=CC=N2)S1 C72885 [0,0,0,1,0,0|2,1,0]=4 119 B11R2.10 O=C1NC2=CC=CN=C2S1 F13119 [0,0,0,1,0,0|2,1,0]=4 120 B9R1.6 N=C(N)C1=CC=NC=C1 71449 [0,0,0,0,1,0|3,0,0]=4 121 B9R1.6 NC(=O)C1=NC=CC=N1 C11052 [0,0,0,0,1,0|3,0,0]=4 122 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [0,0,0,0,1,0|2,0,0]=3 123 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,0,0,0,1,0|1,0,1]=3 124 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,0,0,0,1,0|0,0,0]=1 125 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,0,0,0,1,0|2,0,0]=3 126 B9R1.6 [2H]N([2H])C1=CC=CC=C1 D98688 [0,0,0,0,1,0|3,0,0]=4 127 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,0,0,0,1,0|2,0,0]=3 128 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,0,0,0,1,0|3,0,0]=4 129 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,0,0,0,1,0|2,0,1]=4 130 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,0,0,0,1,0|2,0,1]=4 131 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,0,0,0,1,0|2,0,1]=4 132 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,0,0,0,1,0|2,0,1]=4 133 B9R1.13 N=C(N)CN1C=CC=C1 F50603 [0,0,0,0,1,0|3,0,0]=4 134 B9R1.13 NC(=O)CC1=CC=CN1 72456 [0,0,0,0,1,0|2,0,0]=3 135 B9R1.13 O=C(O)CC1=CC=NN1 79593 [0,0,0,0,1,0|2,0,0]=3 136 B9R1.13 O=C(O)CC1=CNN=C1 AT16113 [0,0,0,0,1,0|2,0,0]=3 137 B9R1.13 O=C(O)CC1=CSC=N1 AC3265 [0,0,0,0,1,0|2,0,0]=3 138 B9R1.13 O=C(O)CC1=NC=NN1 P12659 [0,0,0,0,1,0|3,0,0]=4 139 B9R1.13 O=C(O)CN1C=NN=C1 AT12153 [0,0,0,0,1,0|3,0,0]=4 140 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,0,0,0,0,1|2,0,0]=3 141 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,0,0,0,0,1|2,0,0]=3 142 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,0,0,0,0,1|2,0,1]=4 143 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,0,0,0,0,1|2,0,1]=4 144 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,0,0,0,0,1|2,0,1]=4 145 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [0,0,0,0,0,1|3,0,0]=4 146 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [0,0,0,0,0,1|2,0,0]=3 147 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,0,0,0,0,1|2,0,0]=3 148 B11R1.91 NC(=O)CCC1=NC=NC=C1 F13616 [0,0,0,0,0,1|3,0,0]=4 149 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [0,0,0,0,0,1|2,0,0]=3 150 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,0,0,0,0,1|2,0,0]=3 151 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [0,0,0,0,0,1|1,0,0]=2 152 B8R1.2 C=CC1=CC=CN=C1 71366 [2,0,0,0,0,0|1,0,1]=4 153 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|1,0,0]=3 154 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [1,1,0,0,0,0|0,0,0]=2 166 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [1,1,0,0,0,0|0,0,0]=2 171 B10R1.4 O=CCN1N=CC=CC1=O 57075 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [1,1,0,0,0,0|0,0,0]=2 173 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [1,1,0,0,0,0|0,0,0]=2 180 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,1,0,0,0,0|0,0,2]=4 181 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,1,0,0,0,0|0,0,0]=2 184 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,1,0,0,0,0|0,0,0]=2 185 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,1,0,0,0,0|0,0,1]=3 200 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,1,0,0,0,0|0,0,0]=2 202 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.17 O=C\C=C\C1=CC=NC=C1 T72403 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.17 OCCOC1=NC=CC=C1 C90307 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.17 OC\C=C\C1=CC=NC=C1 AC1120 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [0,1,0,0,1,0|2,0,0]=4 208 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,1,0,0,1,0|2,0,0]=4 209 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [0,1,0,0,1,0|2,0,0]=4 210 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 I11569 [0,1,0,0,1,0|1,0,0]=3 211 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 AT24168 [0,1,0,0,1,0|1,0,1]=4 212 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [0,1,0,0,1,0|1,0,1]=4 213 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,1,0,0,1,0|2,0,0]=4 214 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,1,0,0,1,0|2,0,0]=4 215 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [0,1,0,0,1,0|2,0,0]=4 216 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,1,0,0,1,0|2,0,0]=4 217 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [0,1,0,0,1,0|2,0,0]=4 218 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,1,0,0,1,0|1,0,0]=3 219 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [0,1,0,0,1,0|2,0,0]=4 220 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [0,1,0,0,1,0|0,0,0]=2 221 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [0,1,0,0,1,0|2,0,0]=4 222 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [0,1,0,0,1,0|2,0,0]=4 223 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [0,1,0,0,1,0|2,0,0]=4 224 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [0,1,0,0,1,0|1,0,0]=3 225 B10R1.61 O=C(O)C1=CN=CN=C1Cl F10440 [0,1,0,0,1,0|2,0,0]=4 226 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [0,1,0,0,1,0|0,0,1]=3 227 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [0,1,0,0,1,0|0,0,1]=3 228 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,1,0,0,1,0|2,0,0]=4 229 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [0,1,0,0,1,0|2,0,0]=4 230 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,1,0,0,1,0|2,0,0]=4 231 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,1,0,0,1,0|1,0,1]=4 232 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,1,0,0,1,0|1,0,1]=4 233 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,1,0,0,1,0|2,0,0]=4 234 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,1,0,0,1,0|2,0,0]=4 235 B10R1.113 NC(=S)C1=CC=CC(I)=C1 A10482 [0,1,0,0,1,0|1,1,0]=4 236 B10R1.113 NC1=CC=NC(C(=O)O)=N1 AT18255 [0,1,0,0,1,0|2,0,0]=4 237 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [0,1,0,0,1,0|2,0,0]=4 238 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,1,0,0,1,0|1,0,0]=3 239 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [0,1,0,0,1,0|0,0,1]=3 240 B10R1.113 O=[N+]([O-])C1=CC=CC(S)=C1 AT20860 [0,1,0,0,1,0|1,0,1]=4 241 B10R1.113 OB(O)C1=CC=CC(S)=C1 C10361 [0,1,0,0,1,0|1,0,1]=4 242 B10R1.23 C[C@@H](C(=O)O)C1=CC=CO1 AT17464 [0,1,0,0,1,0|1,0,0]=3 243 B10R1.23 C[C@@H](C(=O)O)C1=CC=CS1 AT16728 [0,1,0,0,1,0|1,0,0]=3 244 B10R1.23 C[C@@H](C(=O)O)C1=CSC=C1 AT17090 [0,1,0,0,1,0|1,0,0]=3 245 B10R1.23 C[C@@H](C(=O)O)N1C=CC=N1 W18326 [0,1,0,0,1,0|2,0,0]=4 246 B10R1.23 C[C@@H](C(=O)O)N1C=CN=C1 W18323 [0,1,0,0,1,0|2,0,0]=4 247 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 38266 [0,1,0,0,1,0|1,0,0]=3 248 B10R1.27 COC(=O)CC1=CC=CN1 AB10301 [0,1,0,0,1,0|1,0,0]=3 249 B10R1.27 COC(=O)CC1=NNC=C1 F14156 [0,1,0,0,1,0|2,0,0]=4 250 B10R1.27 N\C(CC1=CSC=C1)=N\O 71667 [0,1,0,0,1,0|2,0,0]=4 251 B10R1.54 CC1=CC(CC(=O)O)=NN1 AT15993 [0,1,0,0,1,0|2,0,0]=4 252 B10R1.54 CC1=CC(CC(=O)O)=NO1 72026 [0,1,0,0,1,0|2,0,0]=4 253 B10R1.54 CC1=CSC(CC(=O)O)=N1 F13736 [0,1,0,0,1,0|2,0,0]=4 254 B10R1.54 CC1=NC=C(CC(=O)O)S1 W18595 [0,1,0,0,1,0|2,0,0]=4 255 B10R1.54 CC1=NN(CC(=O)O)C=C1 C15138 [0,1,0,0,1,0|2,0,0]=4 256 B10R1.54 CN1C=CC(CC(=O)O)=N1 72291 [0,1,0,0,1,0|2,0,0]=4 257 B10R1.54 NC1=CC(CC(=O)O)=NN1 CS1431 [0,1,0,0,1,0|2,0,0]=4 258 B10R1.54 NC1=NC=C(CC(=O)O)N1 C90531 [0,1,0,0,1,0|2,0,0]=4 259 B10R1.54 O=C(Cl)CC1=CC=C(Br)S1 AC8730 [0,1,0,0,1,0|2,0,0]=4 260 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 39265 [0,1,0,0,1,0|2,0,0]=4 261 B10R1.64 CC1=C(CC(=O)O)N=CN1 AT15590 [0,1,0,0,1,0|2,0,0]=4 262 B10R1.64 CC1=NC=CN1CC(=O)O W16424 [0,1,0,0,1,0|2,0,0]=4 263 B10R1.64 CN1C=CN=C1CC(=O)O AT15757 [0,1,0,0,1,0|2,0,0]=4 264 B10R1.64 CN1C=NC=C1CC(=O)O AT15592 [0,1,0,0,1,0|2,0,0]=4 265 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,1,0,0,0,1|1,0,0]=3 266 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=C1 F12000 [0,1,0,0,0,1|2,0,0]=4 267 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [0,1,0,0,0,1|0,0,1]=3 268 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [0,1,0,0,0,1|1,0,1]=4 269 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [0,1,0,0,0,1|1,0,0]=3 270 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 O10876 [0,1,0,0,0,1|1,0,0]=3 271 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 T70657 [0,1,0,0,0,1|0,0,1]=3 272 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [0,1,0,0,0,1|0,0,0]=2 273 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 W16385 [0,1,0,0,0,1|1,0,0]=3 274 B12R1.27 COC(=O)C#CC1=CC=NC=C1 AC6823 [0,1,0,0,0,1|1,0,1]=4 275 B12R1.27 COC(=O)CCC1=NC=CN=C1 C15360 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.27 COC(=O)CCC1=NC=NC=C1 F14178 [0,1,0,0,0,1|2,0,0]=4 277 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [0,1,0,0,0,1|1,0,1]=4 278 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,1,0,0,0,1|1,0,1]=4 279 B12R1.27 NC(\C=C\C1=CC=CC=C1)=N/O W15444 [0,1,0,0,0,1|1,0,1]=4 280 B12R1.43 C[C@H](NC1=CN=CC=C1)C(=O)O W16392 [0,1,0,0,0,1|1,0,0]=3 281 B12R1.43 C[C@H](SC1=NC=CC=C1)C(=O)O W18318 [0,1,0,0,0,1|1,0,0]=3 282 B12R1.43 C\C(=C/C1=CN=CC=C1)C(=O)O E72369 [0,1,0,0,0,1|1,0,1]=4 283 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O N12543 [0,1,0,0,0,1|1,0,0]=3 284 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,1,0,0,0,1|0,0,0]=2 285 B12R1.43 O=C(O)[C@@H](O)CC1=CN=CC=C1 AT17758 [0,1,0,0,0,1|1,0,0]=3 286 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,1,0,0,0,1|0,0,0]=2 287 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 F50499 [0,1,0,0,0,1|2,0,0]=4 288 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [0,1,0,0,0,1|1,0,0]=3 289 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 N12985 [0,1,0,0,0,1|1,0,0]=3 290 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 50989 [0,1,0,0,0,1|1,0,0]=3 291 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [0,1,0,0,0,1|1,0,0]=3 292 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,1,0,0,0,1|0,0,0]=2 293 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 V10202 [0,1,0,0,0,1|1,0,1]=4 294 B12R1.125 O=C(O)CCN1C=CC=CC1=O O10863 [0,1,0,0,0,1|1,0,0]=3 295 B12R1.125 O=C(O)CCN1C=CC=NC1=O AT13856 [0,1,0,0,0,1|2,0,0]=4 296 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 CL8802 [0,1,0,0,0,1|0,0,0]=2 297 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 61030 [0,1,0,0,0,1|0,0,0]=2 298 B12R1.125 O=C(O)CSC1=C(Br)C=CC=C1 AT20945 [0,1,0,0,0,1|0,0,0]=2 299 B12R1.125 O=C(O)CSC1=C(O)C=CC=C1 AT20931 [0,1,0,0,0,1|0,0,0]=2 300 B12R1.226 CC(=O)NNC1=CC=CC(Cl)=C1 C14571 [0,1,0,0,0,1|2,0,0]=4 301 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 AT20929 [0,1,0,0,0,1|0,0,0]=2 302 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 F20007 [0,1,0,0,0,1|1,0,0]=3 303 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [0,1,0,0,0,1|1,0,0]=3 304 B12R1.226 O=C(O)CCC1=CC(Br)=CN=C1 F30870 [0,1,0,0,0,1|1,0,0]=3 305 B12R1.226 O=C(O)CNC1=CC=NC(Br)=N1 F50590 [0,1,0,0,0,1|2,0,0]=4 306 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 C11055 [0,1,0,0,0,1|1,0,1]=4 307 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 T72496 [0,1,0,0,0,1|1,0,0]=3 308 B12R1.891 O=S(=O)(Cl)NCC1=CC=CC=C1 D86385 [0,1,0,0,0,1|1,0,1]=4 309 B12R1.891 [2H]C([2H])(O)COC1=CC=CC=C1 D99604 [0,1,0,0,0,1|1,0,1]=4 310 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.4 NNC1=CC=C(CC(N)=O)C=C1 F30826 [0,2,0,0,0,0|1,0,0]=3 312 B12R1.19 CC(=O)NC1=CC(F)=C(C)C=C1 E72199 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.19 CC(=O)NC1=CC(I)=C(C)C=C1 AC7468 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.19 CC(=O)OC1=CC(Br)=C(F)C=C1 C11086 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.19 CC1=C(Cl)C=CC(CC(=O)O)=C1 D96291 [0,2,0,0,0,0|0,0,0]=2 316 B12R1.19 CC1=C(F)C=CC(OC(=O)Cl)=C1 FD10709 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.19 CC1=CC(CC(=O)O)=CN=C1Cl 97211 [0,2,0,0,0,0|1,0,0]=3 318 B12R1.19 N=C(N)CC1=CC(F)=C(F)C=C1 S11009 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.19 O=C(O)CC1=CN=C(Cl)C(F)=C1 97208 [0,2,0,0,0,0|1,0,0]=3 320 B12R1.20 CC(=O)C(=O)C1=CC=C(Br)C=C1 H11214 [0,2,0,0,0,0|1,0,1]=4 321 B12R1.20 CC(=O)C(=O)C1=CC=C(C)C=C1 H11218 [0,2,0,0,0,0|1,0,1]=4 322 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Br)C=C1 N15666 [0,2,0,0,0,0|1,0,0]=3 323 B12R1.20 CC(=O)[C@H](N)C1=CC=C(C)C=C1 N15700 [0,2,0,0,0,0|1,0,0]=3 324 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N15653 [0,2,0,0,0,0|1,0,0]=3 325 B12R1.20 CC(=O)[C@H](N)C1=CC=C(F)C=C1 N15652 [0,2,0,0,0,0|1,0,0]=3 326 B12R1.20 CC(=O)[C@H](N)C1=CC=C(N)C=C1 N16145 [0,2,0,0,0,0|1,0,0]=3 327 B12R1.20 CC(O)C(N)C1=CC=C(Br)C=C1 N15665 [0,2,0,0,0,0|1,0,1]=4 328 B12R1.20 CC(O)C(N)C1=CC=C(Cl)C=C1 N15654 [0,2,0,0,0,0|1,0,1]=4 329 B12R1.20 CC(O)C(N)C1=CC=C(F)C=C1 N15651 [0,2,0,0,0,0|1,0,1]=4 330 B12R1.20 CC(O)C(N)C1=CC=C(N)C=C1 N16144 [0,2,0,0,0,0|1,0,1]=4 331 B12R1.20 CC(O)C(N)C1=CC=C(O)C=C1 N15674 [0,2,0,0,0,0|1,0,1]=4 332 B12R1.20 CC(O)[C@H](N)C1=CC=C(Br)C=C1 N15664 [0,2,0,0,0,0|1,0,1]=4 333 B12R1.20 CC(O)[C@H](N)C1=CC=C(Cl)C=C1 N15655 [0,2,0,0,0,0|1,0,1]=4 334 B12R1.20 CC(O)[C@H](N)C1=CC=C(F)C=C1 N15650 [0,2,0,0,0,0|1,0,1]=4 335 B12R1.20 CC(O)[C@H](N)C1=CC=C(O)C=C1 N15675 [0,2,0,0,0,0|1,0,1]=4 336 B12R1.20 CC1=CC=C(C(N)C(C)O)C=C1 N15701 [0,2,0,0,0,0|1,0,1]=4 337 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11713 [0,2,0,0,0,0|0,0,0]=2 338 B12R1.20 CC1=CC=C([C@@H](N)C(C)O)C=C1 N15702 [0,2,0,0,0,0|1,0,1]=4 339 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15703 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15705 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15704 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(N)C=C1 AC1408 [0,2,0,0,0,0|0,0,0]=2 343 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15660 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15662 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15657 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15659 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15647 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15649 [0,2,0,0,0,0|1,0,1]=4 350 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16141 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16143 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15676 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15678 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15661 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15656 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(F)C=C1 N15648 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(N)C=C1 N16142 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15677 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.20 NC(=O)[C@H](N)C1=CC=C(F)C=C1 C77553 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10974 [0,2,0,0,0,0|0,0,0]=2 361 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 AC7645 [0,2,0,0,0,0|0,0,0]=2 362 B12R1.20 N[C@@H](C(=O)O)C1=CN=C(Br)C=C1 68602 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.20 N[C@@H](C(=O)O)C1=CN=C(Cl)C=C1 69945 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Br)C=C1 98573 [0,2,0,0,0,0|0,0,0]=2 365 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 98571 [0,2,0,0,0,0|0,0,0]=2 366 B12R1.20 O=C(O)[C@H](F)C1=CC=C(F)C=C1 98569 [0,2,0,0,0,0|0,0,0]=2 367 B12R1.49 C=CC(=O)NC1=CC=C(C)C=C1 N11698 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78159 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78527 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,2,0,0,0,0|1,0,0]=3 371 B12R1.49 CCC(=O)CC1=CC=C(I)C=C1 85181 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.49 COC(=O)CC1=CN=C(N)C=C1 D71900 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.49 COC(=O)CC1=NC=C(C)N=C1 C91525 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.49 COC(=O)CC1=NC=C(Cl)C=C1 93630 [0,2,0,0,0,0|1,0,0]=3 375 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.49 C\C(=C/C1=CC=C(F)C=C1)CO F53074 [0,2,0,0,0,0|1,0,1]=4 377 B12R1.49 N#CC(=O)CC1=CC=C(Cl)C=C1 83342 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11240 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.49 NCC(=O)CC1=CC=C(F)C=C1 D87535 [0,2,0,0,0,0|1,0,0]=3 380 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F21123 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.49 NNC(=O)NC1=CC=C(Br)C=C1 W12874 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78517 [0,2,0,0,0,0|1,0,1]=4 383 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 AT10694 [0,2,0,0,0,0|1,0,1]=4 384 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 C78160 [0,2,0,0,0,0|1,0,1]=4 385 B12R1.49 N[C@H](CO)CC1=CC=C(I)C=C1 85183 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C78266 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 C78062 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.106 CC(C)(O)CC1=CC=C(Br)C=C1 AT24485 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.106 CC1=CC=C(C[S@@](C)(=N)=O)C=C1 E72404 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 AC8675 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.106 C[S@](=N)(=O)CC1=CC=C(Br)C=C1 E72408 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.106 NC1=CC=C(CP(=O)(O)O)C=C1 F17199 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.233 CC(=O)CC1=C(Cl)C=C(F)C=C1 F30166 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.233 CC(=O)CC1=C(F)C=C(Cl)C=C1 96498 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=C1 C13349 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.233 CC(=O)NC1=C(I)C=C(F)C=C1 AT19905 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.233 CC(=O)OC1=C(F)C=C(Br)C=C1 AT14688 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.233 O=C(O)CN1C=CC(Br)=CC1=O D76191 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.34 CCC(=O)[C@H](C)C1=CC=CC=C1 F30714 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 E72123 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.34 COC(=O)[C@H](C)C1=CN=CC=C1 P11935 [0,2,0,0,0,0|1,0,0]=3 402 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 N12667 [0,2,0,0,0,0|0,0,0]=2 403 B12R1.34 COC(=O)[C@H](N)C1=NC=CC=C1 O11860 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.34 C[C@@H](C(=O)NN)C1=CC=CC=C1 AC8780 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 23172 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 AT23147 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.124 CC(=O)N(C)C1=C(Br)C=CC=C1 F53216 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.124 CC(=O)[C@H](N)C1=C(Br)C=CC=C1 N15545 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.124 CC(=O)[C@H](N)C1=C(C)C=CC=C1 N15524 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.124 CC(=O)[C@H](N)C1=C(Cl)C=CC=C1 N15542 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.124 CC(=O)[C@H](N)C1=C(F)C=CC=C1 N15536 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.124 CC(O)C(N)C1=C(Br)C=CC=C1 N15549 [0,2,0,0,0,0|1,0,1]=4 413 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 N15543 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.124 CC(O)C(N)C1=C(F)C=CC=C1 N15535 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 N15626 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 N15541 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.124 CC(O)[C@H](N)C1=C(F)C=CC=C1 N15534 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.124 CC(O)[C@H](N)C1=C(O)C=CC=C1 N15627 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 N15523 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.124 CC1=C([C@@H](C)C(=O)O)C=CN=C1 F53684 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 N12290 [0,2,0,0,0,0|0,0,0]=2 422 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 N12294 [0,2,0,0,0,0|0,0,0]=2 423 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 N15525 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15527 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15529 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15526 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15544 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15546 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15537 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15539 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15530 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15532 [0,2,0,0,0,0|1,0,1]=4 433 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16152 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16154 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15629 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15631 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15548 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15538 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15531 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.124 C[C@H](O)[C@H](N)C1=C(N)C=CC=C1 N16153 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15628 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A50300 [0,2,0,0,0,0|0,0,0]=2 443 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 D84116 [0,2,0,0,0,0|0,0,0]=2 444 B12R1.124 O=C(O)[C@H](F)C1=C(F)C=CC=C1 98563 [0,2,0,0,0,0|0,0,0]=2 445 B12R1.124 O=C(O)[C@H](F)C1=CC=CN=C1F 98565 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.225 CC(=O)[C@H](N)C1=CC(N)=CC=C1 N16146 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Br)=C1 N15613 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Cl)=C1 N15638 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(F)=C1 N15639 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.225 CC(O)C(N)C1=CC(N)=CC=C1 N16147 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.225 CC(O)C(N)C1=CC=CC(Br)=C1 N15614 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.225 CC(O)C(N)C1=CC=CC(Cl)=C1 N15637 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.225 CC(O)C(N)C1=CC=CC(F)=C1 N15640 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 N15625 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.225 CC(O)[C@H](N)C1=CC(N)=CC=C1 N16148 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.225 CC(O)[C@H](N)C1=CC=CC(Br)=C1 N15615 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.225 CC(O)[C@H](N)C1=CC=CC(Cl)=C1 N15636 [0,2,0,0,0,0|1,0,1]=4 458 B12R1.225 CC(O)[C@H](N)C1=CC=CC(F)=C1 N15641 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.225 CC(O)[C@H](N)C1=CC=CC(O)=C1 N15624 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.225 CC1=CC=CC([C@@H](F)C(=O)O)=C1 98550 [0,2,0,0,0,0|0,0,0]=2 461 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N12267 [0,2,0,0,0,0|0,0,0]=2 462 B12R1.225 C[C@@H](O)[C@H](N)C1=CC(N)=CC=C1 N16149 [0,2,0,0,0,0|1,0,1]=4 463 B12R1.225 C[C@@H](O)[C@H](N)C1=CC(N)=CC=C1 N16151 [0,2,0,0,0,0|1,0,1]=4 464 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15617 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15619 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15632 [0,2,0,0,0,0|1,0,1]=4 467 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15634 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(F)=C1 N15642 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(F)=C1 N15644 [0,2,0,0,0,0|1,0,1]=4 470 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(O)=C1 N15620 [0,2,0,0,0,0|1,0,1]=4 471 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(O)=C1 N15622 [0,2,0,0,0,0|1,0,1]=4 472 B12R1.225 C[C@H](O)[C@H](N)C1=CC(N)=CC=C1 N16150 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15635 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(F)=C1 N15643 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15621 [0,2,0,0,0,0|1,0,1]=4 476 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 N10973 [0,2,0,0,0,0|0,0,0]=2 477 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 AC3213 [0,2,0,0,0,0|0,0,0]=2 478 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AC7657 [0,2,0,0,0,0|0,0,0]=2 479 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11689 [0,2,0,0,0,0|0,0,0]=2 480 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(Br)=C1 98544 [0,2,0,0,0,0|0,0,0]=2 481 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(F)=C1 98545 [0,2,0,0,0,0|0,0,0]=2 482 B12R1.225 O=C(O)[C@H](O)C1=CC(O)=CC=C1 A12143 [0,2,0,0,0,0|0,0,0]=2 483 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(I)=C1 C90764 [0,2,0,0,0,0|0,0,0]=2 484 B12R1.253 CC(=O)C(C)(C)C1=CC=CC=C1 AT22669 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.253 CC(C)(C(=O)O)C1=CC=NC=C1 F53688 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.253 CC(C)(C(=O)O)C1=CN=CC=C1 AC4673 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.253 CC(C)(C(=O)O)C1=NC=CC=C1 W18314 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.253 CC(C)(C(=O)[O-])C1=CC=NC=C1 AT18198 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 41030 [0,2,0,0,0,0|0,0,0]=2 490 B12R1.253 C[C@](N)(C(=O)O)C1=CC=NC=C1 W15225 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 91032 [0,2,0,0,0,0|0,0,0]=2 492 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86645 [0,2,0,0,0,0|0,0,0]=2 493 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 A50497 [0,2,0,0,0,0|0,0,0]=2 494 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 F15100 [0,2,0,0,0,0|0,0,0]=2 495 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 AT21614 [0,2,0,0,0,0|1,0,1]=4 496 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 C14174 [0,2,0,0,0,0|1,0,1]=4 497 B12R1.32 CCOC(=O)CC1=CC=NC=C1 31557 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.32 CCOC(=O)CC1=CN=CN=C1 F53477 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.32 CCOC(=O)NC1=CN=CC=C1 F14111 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.32 CCOC(=O)OC1=NC=CC=C1 F18008 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.32 NCCC(=O)NC1=CC=CC=C1 F21144 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.50 C=CC(=O)NC1=CC=CC(Cl)=C1 N11715 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78461 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.50 CCC(=O)CC1=CC=CC(Br)=C1 N14158 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 N14137 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.50 CNC(=O)CC1=CC(N)=CC=C1 N10567 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.50 COC(=O)CC1=CC(C)=NC=C1 D87645 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.50 COC(=O)CC1=CC(Cl)=NC=C1 D71961 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.50 COC(=O)CC1=CC(Cl)=NC=N1 F18658 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.50 COC(=O)CC1=CC=CC(Br)=N1 AT23263 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.50 COC(=O)CC1=CN=CC(Cl)=N1 AT19766 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.50 COC(=O)CC1=NC=CC(Cl)=C1 AT23282 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78100 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78242 [0,2,0,0,0,0|1,0,1]=4 516 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 Y11238 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11307 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12975 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 C76076 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.371 C=CC(=O)NC1=C(Cl)C=CC=C1 N11716 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 C78603 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 N11149 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.371 CCC(=O)CC1=C(Br)C=CC=C1 N12602 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.371 CCC(=O)CC1=C(C)C=CC=C1 N14163 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.371 CCC(=O)CC1=C(Cl)C=CC=C1 N14147 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.371 COC(=O)CC1=C(N)C=NC=C1 F17906 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.371 N[C@H](CO)CC1=C(Br)C=CC=C1 C77829 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11299 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11304 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11418 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 F11411 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.75 COC1=CC=CN=C1CC(C)=O F31310 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.127 CC(=O)NC1=C(Br)C=CC(C)=C1 75470 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.127 CC1=CC(CC(=O)O)=C(Cl)C=C1 D96279 [0,2,0,0,0,0|0,0,0]=2 535 B12R1.127 NC(=O)CC1=C(Br)C=CC(Cl)=C1 AT11065 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.127 NC(=O)CC1=C(F)C=CC(Br)=C1 92705 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.127 NC1=CC(CC(=O)O)=C(Cl)C=C1 C90866 [0,2,0,0,0,0|0,0,0]=2 538 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 T70932 [0,2,0,0,0,0|0,0,0]=2 539 B12R1.127 O=C(O)CC1=CC(O)=NNC1=O D74436 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.127 O=C(O)CN1C=C(Br)C=CC1=O D76190 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.151 C[S@](=N)(=O)CC1=C(F)C=CC=C1 E71970 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.151 NS(=O)(=O)CC1=C(F)C=CC=C1 C90226 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.151 O=S(=O)(Cl)CC1=C(I)C=CC=C1 AT24327 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.151 O=S(=O)([O-])CC1=C(F)C=CC=C1 F53357 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.224 CC(=O)NC1=C(C)C(C)=CC=C1 F12500 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.224 CC(=O)NC1=CC=CC(Br)=C1C F18030 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.224 CC1=C(Br)C=CC=C1CC(=O)O CL9370 [0,2,0,0,0,0|0,0,0]=2 548 B12R1.224 CC1=C(Cl)C=CC=C1CC(=O)O C90794 [0,2,0,0,0,0|0,0,0]=2 549 B12R1.224 CC1=CC=CN(CC(=O)O)C1=O AT19234 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.224 NC(=O)CC1=CC=CC(Br)=C1F 92646 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.224 NC1=CC=CN(CC(=O)O)C1=O AT19275 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.224 O=C(O)CC1=C(O)C(O)=CC=C1 C78025 [0,2,0,0,0,0|0,0,0]=2 553 B12R1.224 O=C(O)CC1=CC=CC(Br)=C1O 97767 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.1009 CC(=O)CC1=C(Cl)C=CC=C1Cl T71476 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.101 CC(=O)CC1=CC(F)=CC(F)=C1 N14189 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.101 CC(=O)OC1=CC(Br)=CC(Br)=C1 C10439 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.101 CC(=O)OC1=CC(Br)=CC(F)=C1 W13834 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.119 CC(C)(O)CC1=CC=CC(Br)=C1 AT24484 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.119 CC1=CC=CC(CS(=O)(=O)[O-])=C1 72525 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.119 C[S@](=N)(=O)CC1=CC(F)=CC=C1 E71969 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.119 C[S@](=N)(=O)CC1=CC=CC(Br)=C1 E72409 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.438 CC(=O)NC1=CC(C=O)=CC=C1 A11079 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.438 CC(=O)NC1=CC(CO)=CC=C1 D85913 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 F13308 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 AT18202 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.66 O=C(O)COC1=CSC=C1 AT16734 [0,0,1,1,0,0|2,0,0]=4 567 B10R1.66 O=C(O)CSC1=CC=CS1 AT21321 [0,0,1,1,0,0|2,0,0]=4 568 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [1,0,0,1,0,0|1,0,1]=4 569 B10R2.7 C1=CC2=C(C=CO2)C=N1 D74565 [1,0,0,1,0,0|1,0,1]=4 570 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|1,0,1]=4 571 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [0,0,0,1,0,1|2,0,0]=4 572 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,0,0,1,0,1|1,0,0]=3 573 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [0,0,0,1,0,1|1,0,1]=4 574 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [0,0,0,1,0,1|2,0,0]=4 575 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 86461 [0,0,0,1,0,1|2,0,0]=4 576 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,0,0,1,0,1|1,0,0]=3 577 B12R2.24 O=C1CSC2=C(N=CC=C2)N1 92244 [0,0,0,1,0,1|2,0,0]=4 578 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [0,0,0,1,0,1|1,0,1]=4 579 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [0,0,0,1,0,1|1,0,0]=3 580 B12R2.24 O=C1NC2=C(C=CC=N2)CO1 AC7037 [0,0,0,1,0,1|2,0,0]=4 581 B12R2.24 O=C1NC2=C(C=CN=C2)CO1 AC5095 [0,0,0,1,0,1|2,0,0]=4 582 B12R2.606 CC1=CC2=C(C=C1)N=C(C)O2 AC6304 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.606 CC1=CC2=C(C=C1)NC(=O)O2 AC5672 [0,1,0,1,0,0|1,0,0]=3 584 B12R2.606 CC1=CC2=C(C=C1)SC(=O)N2 O11473 [0,1,0,1,0,0|1,1,0]=4 585 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 D78665 [0,1,0,1,0,0|1,0,1]=4 586 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 AC5757 [0,1,0,1,0,0|1,0,1]=4 587 B12R2.606 CC1=NC2=C(C=C(F)C=C2)O1 AC5868 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 A12583 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 26691 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.606 NC1=CC2=C(C=C1)C[C@H](O)C2 94670 [0,1,0,1,0,0|1,0,1]=4 591 B12R2.606 NC1=CC2=C(C=C1)OC(N)=N2 AC6531 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.606 NC1=CC2=C(C=C1)OC(S)=N2 AC5706 [0,1,0,1,0,0|1,1,0]=4 593 B12R2.606 O=C1CC2=C(N=CC(O)=C2)N1 P18372 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.606 O=C1CC2=CN=C(Br)C=C2N1 F53787 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.606 O=C1CC2=NC=C(I)C=C2N1 F18536 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.606 O=C1NC2=C(C=CC(F)=C2)S1 C14119 [0,1,0,1,0,0|1,1,0]=4 597 B12R2.606 O=C1NC2=CC(Br)=CN=C2O1 AC2140 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.606 O=C1NC2=CC(Cl)=CN=C2O1 AC3978 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 D77666 [0,1,0,1,0,0|1,0,0]=3 600 B12R2.606 OC1=CC2=C(C=C1)C[C@H](O)C2 F53501 [0,1,0,1,0,0|1,0,1]=4 601 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)O1 95276 [0,1,0,1,0,0|1,0,1]=4 602 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [0,1,0,1,0,0|1,0,1]=4 603 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [0,1,0,1,0,0|0,0,1]=3 604 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [0,1,0,1,0,0|1,0,1]=4 605 B12R2.32 BrCC1=CC2=C(C=CC=C2)O1 AC6096 [0,1,0,1,0,0|1,0,1]=4 606 B12R2.32 ClCC1=CC2=C(C=CC=C2)O1 AC6009 [0,1,0,1,0,0|1,0,1]=4 607 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 20190 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.32 O=CC1=NC2=C(C=CC=C2)O1 C16106 [0,1,0,1,0,0|1,0,0]=3 609 B12R2.95 O=P1(Cl)OC2=C(C=CC=C2)O1 73936 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.202 CC1=CC2=CC=CC(Br)=C2O1 76396 [0,1,0,1,0,0|1,0,1]=4 611 B12R2.202 CC1=CC=CC2=C1N=C(Cl)O2 AC2652 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.202 CC1=CC=CC2=C1N=C(N)O2 AC7423 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.202 CC1=CC=CC2=C1N=C(S)O2 AC7364 [0,1,0,1,0,0|1,1,0]=4 614 B12R2.202 CC1=CC=CC2=C1NC(=O)O2 AC6817 [0,1,0,1,0,0|1,0,0]=3 615 B12R2.202 CC1=NC2=CC=CC(Cl)=C2O1 AC3595 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.202 CC1=NC2=CC=CC(F)=C2O1 AC3582 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.202 FC1=CC=CC2=C1N=C(S)O2 F51108 [0,1,0,1,0,0|1,1,0]=4 618 B12R2.202 NC1=CC=CC2=C1CC(=O)C2 53595 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.202 NC1=CC=CC2=C1N=C(N)O2 AC4477 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.202 NC1=CC=CC2=C1N=C(S)O2 AC4524 [0,1,0,1,0,0|1,1,0]=4 621 B12R2.202 NC1=CC=CC2=C1NC(=O)O2 C16414 [0,1,0,1,0,0|1,0,0]=3 622 B12R2.202 NC1=NC2=C(F)C=CC=C2O1 AC4839 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.202 NC1=NC2=CC=CC(Cl)=C2O1 AC6529 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.202 NC1=NC2=CC=CC(F)=C2O1 P12618 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.202 NC1=NC=CC2=C1NC(=O)C2 F12565 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.202 O=C1CC2=CC=CC(I)=C2N1 D76870 [0,1,0,1,0,0|1,0,0]=3 627 B12R2.202 O=C1NC2=C(Br)C=CC=C2O1 C92124 [0,1,0,1,0,0|1,0,0]=3 628 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 AT12815 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.202 O=C1NC2=CC=CC(Cl)=C2O1 AC6894 [0,1,0,1,0,0|1,0,0]=3 630 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 F51253 [0,0,0,2,0,0|1,0,1]=4 631 B8R1.8 O=CCC1=CC=CS1 O10539 [1,0,0,0,1,0|1,0,0]=3 632 B8R1.8 O=CCC1=NC=CS1 D88143 [1,0,0,0,1,0|2,0,0]=4 633 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [0,0,0,0,2,0|2,0,0]=4 634 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [0,0,0,0,0,2|2,0,0]=4 635 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [0,0,0,0,0,2|1,0,1]=4 636 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [0,0,0,0,0,2|1,0,1]=4 637 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [0,0,0,0,0,2|1,0,1]=4 638 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [0,0,0,0,0,2|1,0,0]=3 639 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 AT25408 [0,0,0,0,0,2|0,0,0]=2 640 B12R1.252 O=C(O)CCCC1=CN=CC=C1 AT25838 [0,0,0,0,0,2|1,0,0]=3 641 B12R1.252 O=C(O)CCNC1=CC=NC=C1 W15226 [0,0,0,0,0,2|1,0,0]=3 642 B12R1.252 O=C(O)CCNC1=NC=CC=C1 65602 [0,0,0,0,0,2|1,0,0]=3