0 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [0,0,0,0,0,0|2,0,1]=3 1 B11R2.1 ClC1=NNC2=CC=CN=C21 24272 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 NC1=C2C=CC=CN2N=C1 C14653 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.1 NC1=CNC2=C1C=NC=C2 AC3430 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [0,0,0,0,0,0|2,0,0]=2 7 B11R2.1 O=C1NCC2=C1C=NC=N2 F52634 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [0,0,0,0,0,0|1,0,2]=3 9 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 W18637 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.132 O=C1CCC2=NC=C(F)C=C12 P19250 [0,1,0,0,0,0|2,0,0]=3 11 B12R2.132 O=C1COC2=C1C=C(F)C=C2 Y13790 [0,1,0,0,0,0|2,0,0]=3 12 B12R2.132 O=C1NCC2=NC=C(Cl)C=C12 W16979 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.132 OC1=CC2=C(C=C1)NN=C2Br 83344 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N13212 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y13708 [0,1,0,0,0,0|2,0,1]=4 16 B12R2.196 O=C1CCC2=C(Br)C=NC=C12 84234 [0,1,0,0,0,0|2,0,0]=3 17 B12R2.196 O=C1NCC2=C1C=CN=C2Cl AC1916 [0,1,0,0,0,0|2,0,0]=3 18 B12R2.196 O[C@H]1CCC2=C(Br)C=CC=C21 W15007 [0,1,0,0,0,0|1,0,2]=4 19 B12R2.203 O[C@H]1CCC2=CC=CC(F)=C21 Y14547 [0,1,0,0,0,0|1,0,2]=4 20 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [0,1,0,0,0,0|2,0,0]=3 21 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P11527 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.612 NC1=CC2=C(C=C1)B(O)OC2 P18085 [0,1,0,0,0,0|1,0,1]=3 23 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67302 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [0,1,0,0,0,0|2,0,1]=4 25 B12R2.612 O=C1CCC2=C1C=CC(O)=N2 79948 [0,1,0,0,0,0|2,0,0]=3 26 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 F17861 [0,1,0,0,0,0|1,0,0]=2 27 B12R2.612 OB1OCC2=C1C=CC(Cl)=C2 W19267 [0,1,0,0,0,0|1,0,1]=3 28 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,1,0,0,0,0|1,0,2]=4 29 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 D72990 [0,1,0,0,0,0|1,0,0]=2 30 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 37675 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.17 NNCCC1=CC=CC=C1 74134 [0,0,1,0,0,0|3,0,0]=4 32 B10R1.20 NCC1=C(CO)C=CC=N1 C71511 [0,0,1,0,0,0|2,0,1]=4 33 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [0,0,1,0,0,0|1,0,0]=2 34 B10R1.61 CC1=C(C(=O)O)C=NN=C1 37530 [0,0,1,0,0,0|2,0,0]=3 35 B10R1.61 O=C(O)C1=C(F)C=NC=N1 P13931 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [0,0,1,0,0,0|2,0,0]=3 37 B10R2.32 O=C1CCN2C=NC=C12 65837 [0,0,0,0,1,0|3,0,0]=4 38 B10R2.32 O=C1NCC2=C1C=CS2 94719 [0,0,0,0,1,0|2,0,0]=3 39 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D79125 [0,0,0,0,0,1|2,0,1]=4 40 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D96708 [0,0,0,0,0,1|2,0,1]=4 41 B12R2.24 FC1=CC2=CC=CC=C2C=N1 D82691 [0,0,0,0,0,1|2,0,1]=4 42 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 87247 [0,0,0,0,0,1|2,0,0]=3 43 B12R2.24 O=C1CCC2=C(C=CC=N2)N1 66147 [0,0,0,0,0,1|2,0,0]=3 44 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [0,0,0,0,0,1|2,0,1]=4 45 B12R2.1081 NC1=CN=NC2=CC=CC=C12 97748 [0,0,0,0,0,1|3,0,0]=4 46 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [0,0,0,0,0,1|2,0,1]=4 47 B12R2.1081 O=C1C=CNC2=C1C=CN=C2 64673 [0,0,0,0,0,1|2,0,1]=4 48 B12R2.1081 O=C1CCNC2=C1C=CC=N2 W12418 [0,0,0,0,0,1|2,0,0]=3 49 B12R2.1081 O=C1CCOC2=C1C=NC=C2 F53452 [0,0,0,0,0,1|2,0,0]=3 50 B12R2.1081 O=C1COCC2=C1C=CC=N2 A10613 [0,0,0,0,0,1|1,0,0]=2 51 B12R2.1081 O=C1NC=CC2=C1C=CN=C2 67001 [0,0,0,0,0,1|2,0,1]=4 52 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.22 COC(=O)C1=NC=C(N)C=N1 82661 [0,1,1,0,0,0|2,0,0]=4 54 B11R1.23 COC(=O)C1=CN=CC(I)=N1 W19701 [0,1,1,0,0,0|2,0,0]=4 55 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 P20760 [0,1,1,0,0,0|2,0,0]=4 56 B11R1.222 COC(=O)C1=C(C)C=NN=C1 38774 [0,1,1,0,0,0|2,0,0]=4 57 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 O10873 [0,1,1,0,0,0|1,0,1]=4 58 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.265 OCC1=CC=CC(Br)=C1CO 97055 [0,1,1,0,0,0|0,0,2]=4 60 B11R1.156 CC1=CN=CC(C)=C1C(=O)O 35388 [0,1,1,0,0,0|1,0,0]=3 61 B11R1.156 O=C(O)C1=C(F)C=CN=C1F Y14730 [0,1,1,0,0,0|2,0,0]=4 62 B11R1.156 O=C(O)C1=C(F)C=CN=C1O C73448 [0,1,1,0,0,0|2,0,0]=4 63 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br D72094 [0,1,1,0,0,0|1,0,0]=3 65 B11R1.159 O=C(O)C1=C(O)C(F)=NC=C1 D94423 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.166 CC1=C(C(=O)O)C=NC(N)=N1 D79723 [0,1,1,0,0,0|2,0,0]=4 67 B11R1.166 NC1=CC(F)=CN=C1C(=O)O P17500 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.167 CC1=C(C(=O)O)N=C(Cl)N=C1 P18151 [0,1,1,0,0,0|2,0,0]=4 69 B11R1.167 CN1C=CC(=O)C(C(=O)O)=C1 AT13146 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 D77186 [0,1,1,0,0,0|1,0,0]=3 71 B11R2.36 BrC1=CC2=NSC=C2C=C1 D84732 [1,1,0,0,0,0|1,1,0]=4 72 B11R2.36 ClC1=NC2=C(C=C1)COC2 83487 [1,1,0,0,0,0|1,0,1]=4 73 B11R2.36 NC1=CC2=C(C=C1)C=NS2 AC7467 [1,1,0,0,0,0|2,0,0]=4 74 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51396 [1,1,0,0,0,0|2,0,0]=4 75 B11R2.36 OC1=CC2=C(C=C1)COC2 D78662 [1,1,0,0,0,0|0,0,1]=3 76 B11R2.106 CC1=CC=CC2=C1CNC2 78626 [1,1,0,0,0,0|1,0,1]=4 77 B11R2.106 ClC1=C2C=CCC2=CC=C1 53579 [1,1,0,0,0,0|1,0,0]=3 78 B11R2.106 FC1=C2C=COC2=CC=C1 78779 [1,1,0,0,0,0|2,0,0]=4 79 B11R2.106 IC1=C2C=CNC2=CC=C1 78827 [1,1,0,0,0,0|2,0,0]=4 80 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [1,1,0,0,0,0|2,0,0]=4 81 B11R2.106 NC1=C2CC=CC2=CC=C1 C14577 [1,1,0,0,0,0|1,0,0]=3 82 B11R2.106 NC1=C2ON=CC2=CC=C1 O11689 [1,1,0,0,0,0|2,0,0]=4 83 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [1,1,0,0,0,0|2,0,0]=4 84 B11R2.106 OC1=C2CNCC2=CC=C1 F10254 [1,1,0,0,0,0|1,0,1]=4 85 B11R2.106 OC1=CC=CC2=C1C=CO2 53817 [1,1,0,0,0,0|2,0,0]=4 86 B11R2.66 O=C1NCC2=C1C=C(Br)S2 94720 [0,1,0,0,1,0|2,0,0]=4 87 B13R2.57 O=C[C@@H]1CCC2=C(C=CC=C2)O1 50359 [0,1,0,0,0,1|1,0,1]=4 88 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)O1 E70006 [0,1,0,0,0,1|1,0,1]=4 89 B13R2.328 O=C1NC2=C(C=CC=N2)C(=O)O1 AT20002 [0,1,0,0,0,1|1,0,1]=4 90 B13R2.5179 CC1=CC=CC2=C1CCC(=O)C2 H10281 [0,1,0,0,0,1|1,0,0]=3 91 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 Y11718 [0,1,0,0,0,1|1,0,0]=3 92 B13R2.342 O=C1CCCC2=C(Br)C=NC=C12 82085 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.4818 CC1=CC=CC2=C1C(=O)C=CN2 D96337 [0,1,0,0,0,1|1,0,1]=4 94 B13R2.4818 CC1=CC=CC2=C1C(=O)CCN2 72049 [0,1,0,0,0,1|1,0,0]=3 95 B13R2.4818 O=C1CCCC2=CC=CC(F)=C12 28171 [0,1,0,0,0,1|1,0,0]=3 96 B13R2.4818 O=C1NCCC2=CC=CC(Br)=C12 22945 [0,1,0,0,0,1|1,0,0]=3 97 B13R2.9 O=CC1=NNC2=C(Br)C=CC=C12 F53400 [0,2,0,0,0,0|2,0,0]=4 98 B13R2.662 O=CC1=CSC2=C1C=CC(Br)=C2 82318 [0,2,0,0,0,0|2,0,0]=4 99 B13R2.3028 CN1CC2=C(C=C(O)C=N2)C1=O 72900 [0,2,0,0,0,0|2,0,0]=4 100 B13R2.669 NCC1=CC2=C(C=C1)CNC2=O F13869 [0,2,0,0,0,0|1,0,0]=3 101 B13R2.3742 O=C1NCC2=C1C=C(Cl)N=C2Cl C71681 [0,2,0,0,0,0|2,0,0]=4 102 B13R2.3790 O=C1OCC2=C1C(F)=C(Br)C=C2 Y14558 [0,2,0,0,0,0|0,0,0]=2 103 B13R2.5187 CC1=CC2=C(C=C1)C(=O)C[C@@H]2C Y13724 [0,2,0,0,0,0|1,0,0]=3 104 B13R2.5187 CC1=CC2=C(C=C1)[C@@H](C)CC2=O Y13958 [0,2,0,0,0,0|1,0,0]=3 105 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(Br)C=C2 Y14557 [0,2,0,0,0,0|1,0,0]=3 106 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(Cl)C=C2 Y14560 [0,2,0,0,0,0|1,0,0]=3 107 B13R2.5187 C[C@H]1CC(=O)C2=C1C=CC(Br)=C2 Y13961 [0,2,0,0,0,0|1,0,0]=3 108 B13R2.5187 C[C@H]1CC(=O)C2=C1C=CC(Cl)=C2 Y13960 [0,2,0,0,0,0|1,0,0]=3 109 B13R2.5187 C[C@H]1CC(=O)C2=C1C=CC(F)=C2 Y13959 [0,2,0,0,0,0|1,0,0]=3 110 B13R2.4857 CC1=CC=CC2=C1[C@@H](C)CC2=O Y13744 [0,2,0,0,0,0|1,0,0]=3 111 B13R2.4857 C[C@H]1CC(=O)C2=CC=CC(Cl)=C21 Y13963 [0,2,0,0,0,0|1,0,0]=3 112 B13R2.5180 O=C1NOC2=C1C=CC(F)=C2F W15602 [0,2,0,0,0,0|2,0,0]=4 113 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)NC2 83784 [0,2,0,0,0,0|1,0,0]=3 114 B13R2.2130 NCC1=CC2=C(C=C1)C(=O)NC2 C72657 [0,2,0,0,0,0|1,0,0]=3 115 B13R2.2130 O=C1NCC2=C1C=CC(CO)=C2 F17814 [0,2,0,0,0,0|1,0,0]=3 116 B9R1.41 CC1=CON=C1C(=O)O C74055 [0,0,1,0,1,0|2,0,0]=4 117 B11R1.86 NC1=CC=CN=C1CC(=O)O D96389 [0,0,1,0,0,1|2,0,0]=4 118 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 AT11209 [0,0,1,0,0,1|2,0,0]=4 119 B13R2.33 O=C1CNC2=C(C=CC=N2)CN1 AT20015 [0,0,0,0,0,2|2,0,0]=4 120 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 D83922 [0,0,0,0,0,2|1,0,0]=3 121 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 SC4031 [0,0,0,0,0,2|1,0,0]=3