0 B13R2.369 CC1=CC2=CC=CC=C2C=C1N D88160 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O AC9491 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 BrC1=CC2=CC=NC=C2N=C1 F53460 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.24 BrC1=NC2=CC=NC=C2C=C1 80803 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.24 IC1=CC2=NC=CC=C2C=C1 F13952 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.24 OC1=CC2=CN=CN=C2C=C1 D77556 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 OC1=CC2=NC=CC=C2N=C1 F53687 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 [2H]C1=CC2=CC=CC=C2N=C1 AC4553 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 [2H]C1=CC=C2C=CC=NC2=C1 AC4557 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 [2H]C1=CC=C2N=CC=CC2=C1 AC4556 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 [2H]C1=NC2=CC=CC=C2C=C1 AC4552 [1,0,0,0,0,0|2,0,0]=3 11 B14R2.1128 C#CC1=CC2=CC=CC=C2N=C1Cl F30336 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.1128 C#CC1=NC2=CC=CC=C2C=C1Br F30334 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.1128 CC1=CC2=CC=CC=C2C=C1CBr AT24776 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.1128 COC1=CC2=CN=CC=C2C=C1Br 97592 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.1128 N#CC1=NC2=C(C=CC=C2)NC1=O E70195 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.8188 CC1=C(Cl)C2=CC=CC=C2N=C1Br D76764 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.8239 NC1=C(Cl)N=C2C=C(Br)C=CC2=C1 AT13210 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.28472 CC1=C(N)C=C2C=CC=C(F)C2=N1 W11421 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.28472 CC1=CC2=C(NC1=O)C(Cl)=NC=C2 D73553 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.28472 CC1=CC2=CC=CC(Br)=C2NC1=O D73563 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.28472 CC1=CC=CC2=C1NC(=O)C(=O)N2 F31282 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.28472 OC1=CC2=CC=NC(Cl)=C2C=C1Br F51328 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [0,0,1,0,0,0|1,0,2]=4 24 B12R2.18 O=C1NC2=C(N=CC=C2)C1=O C14907 [0,0,0,0,1,0|2,0,1]=4 25 B12R2.18 [2H]C1=CC2=C(C=CC=C2)N1C AC6975 [0,0,0,0,1,0|3,0,0]=4 26 B12R2.100 OC1=C(Br)C=C2C=CNC2=C1 53493 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.100 OC1=C(Br)C=C2NC=CC2=C1 P11882 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.86 O=C(O)CC1=NC=CC=C1O 37888 [1,0,1,0,0,0|1,0,1]=4 29 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 95698 [0,1,1,0,0,0|0,0,2]=4 30 B13R1.148 CC1=CC=CC(CC(=O)C(=O)O)=C1 C92166 [0,1,1,0,0,0|0,0,2]=4 31 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O D76748 [0,1,1,0,0,0|0,0,2]=4 32 B13R1.202 CC1=C(CC(=O)C(=O)O)C=CC=C1 C92179 [0,1,1,0,0,0|0,0,2]=4 33 B13R1.202 O=C(O)C(=O)CC1=C(F)C=CC=C1 C91157 [0,1,1,0,0,0|0,0,2]=4 34 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 W18645 [0,1,1,0,0,0|0,0,2]=4 35 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O D78560 [0,1,1,0,0,0|0,0,2]=4 36 B13R2.32 OC1=C(Br)C2=CC=NC=C2C=C1 D87212 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.32 OC1=C(Cl)C2=CC=NC=C2C=C1 C16711 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.57 COC1=CC2=NC=CC=C2N=C1 H10113 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.155 CC1=CC=C2C=CC(N)=NC2=C1 98094 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.155 CC1=NC2=CC(N)=CC=C2C=C1 AT13264 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=C1 AT10621 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.155 O=C1C=CC2=CN=C(Br)C=C2N1 F30751 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.155 O=C1C=CC2=CN=C(F)C=C2N1 F30754 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.162 BrC1=C2C=C(I)C=NC2=CC=C1 80413 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.162 NC1=CC=C2C=CC=C(O)C2=C1 N14312 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.162 OC1=CC=C2C=NC=C(Br)C2=C1 K10287 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.162 OC1=CN=C2C=CC=C(Br)C2=C1 D76867 [1,1,0,0,0,0|1,0,0]=3 48 B13R2.328 CC1=CC(O)=CC2=CC=CC=C12 AT25263 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)S1 D74313 [1,1,0,0,0,0|1,1,0]=4 50 B13R2.328 OC1=CC2=CC=NC=C2C(Br)=C1 88828 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.328 OC1=CC2=NC=CC=C2C(Cl)=C1 K10269 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.328 OC1=CC2=NC=CC=C2C(F)=C1 K10270 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.3683 FC1=CN=C2C=C(Cl)C=CC2=C1 AT16383 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.3683 O=C1C=C2C=CC(Br)=CC2=CN1 P20226 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.3683 OC1=CN=C2C=C(Br)C=NC2=C1 K10128 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.3683 OC1=CN=C2C=C(Cl)C=NC2=C1 K10131 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.3683 OC1=CN=C2C=C(F)C=NC2=C1 K10132 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.3683 OC1=NN=C2C=C(Br)C=CC2=C1 AT20864 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.5179 CC1=C2C=CC(O)=CC2=CC=C1 N14584 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.5179 FC1=C2C=CC(Br)=NC2=CC=C1 D71269 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.5179 FC1=CC=C2C(Br)=CC=CC2=C1 AT23038 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 AT23037 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 F53478 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.5179 NC1=C2C=CC(F)=NC2=CC=C1 E70239 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.5179 NC1=CC=C2C(Br)=CC=CC2=C1 AT10620 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.5179 NC1=CC=C2C(F)=CC=CC2=N1 D71271 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=N1 D71270 [1,1,0,0,0,0|1,0,1]=4 68 B13R2.45 O=CC1=C(I)C2=C(C=CC=C2)N1 W19263 [0,1,0,0,1,0|2,0,0]=4 69 B13R2.135 O=CC1=C(Cl)OC2=C1C=CC=C2 D86126 [0,1,0,0,1,0|1,0,1]=4 70 B13R2.359 O=S1(=O)C(Br)=CC2=C1C=CC=C2 D74053 [0,1,0,0,1,0|2,0,0]=4 71 B13R2.3028 O=C1SC2=C(C=C(Cl)C=C2)C1=O AT25623 [0,1,0,0,1,0|0,1,1]=4 72 B15R2.274 N#CC1=C(O)C2=C(C=CC=C2)NC1=O C91026 [0,2,0,0,0,0|2,0,0]=4 73 B15R2.274 O=CC1=C(Cl)C2=C(C=CC=C2)NC1=O D88190 [0,2,0,0,0,0|1,0,1]=4 74 B15R2.984 CC1=CC2=CC=CC=C2C=C1C(=O)O AT24781 [0,2,0,0,0,0|2,0,0]=4 75 B15R2.984 CC1=CC2=CC=CC=C2N=C1C(=O)O 71783 [0,2,0,0,0,0|2,0,0]=4 76 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1Br AT24783 [0,2,0,0,0,0|2,0,0]=4 77 B15R2.984 O=C(O)C1=CC2=CC=CN=C2C=C1O K10311 [0,2,0,0,0,0|2,0,0]=4 78 B15R2.1754 O=CC1=CC2=C(C=C(Br)C=C2)NC1=O AT24321 [0,2,0,0,0,0|1,0,1]=4 79 B15R2.1754 O=CC1=CC2=C(C=C(Cl)C=C2)NC1=O AT24323 [0,2,0,0,0,0|1,0,1]=4 80 B15R2.1824 N#CC1=CC2=C(C=CC(Cl)=C2)NC1=O F52151 [0,2,0,0,0,0|2,0,0]=4 81 B15R2.21243 COC1=CC2=CC=CC=C2C(O)=C1F D75706 [0,2,0,0,0,0|2,0,0]=4 82 B15R2.1007 CC1=C(Br)C(=O)OC2=C1C=C(O)C=C2 AT15777 [0,2,0,0,0,0|1,0,0]=3 83 B15R2.13612 CC1=C(O)C2=CC=CC(Br)=C2NC1=O D73562 [0,2,0,0,0,0|2,0,0]=4 84 B15R2.63893 CC1=CC2=C(C=CC(N)=C2)N(C)C1=O 58049 [0,2,0,0,0,0|2,0,0]=4 85 B15R2.59733 OC1=CC2=C(Cl)C=C(Br)C=C2C=C1Br D75985 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.222 C=CC(=O)C1=C(F)C=CC=C1 F13144 [0,0,1,0,1,0|2,0,0]=4 87 B11R1.222 O=C(NO)C1=C(Br)C=CC=C1 D76830 [0,0,1,0,1,0|2,0,0]=4 88 B11R2.1 BrC1=NOC2=C1C=CC=C2 D77128 [1,0,0,0,1,0|2,0,0]=4 89 B11R2.1 O=C1NC=C2C=CC=CN12 D72553 [1,0,0,0,1,0|2,0,0]=4 90 B11R2.1 OC1=CSC2=C1C=CN=C2 AT25103 [1,0,0,0,1,0|1,1,0]=4 91 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 D76053 [0,0,1,0,0,1|1,0,0]=3