0 B13R2.573 COC1=C2C=CN(C)C2=NC=C1 P14757 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.573 COC1=CC=CC2=C1NN=C2Cl D82762 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.573 COC1=CC=CC2=C1NN=C2I Y10384 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.573 COC1=NC=CC2=C1NC=C2Br 80197 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.573 COC1=NC=CC2=C1NC=C2I 69412 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.581 COC1=C2C=C(C)NC2=CC=C1 52361 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.581 COC1=CC=CC2=C1CC(=O)N2 35530 [1,0,0,0,0,0|1,0,0]=2 7 B13R2.581 COC1=CC=CC2=C1N=C(C)O2 D93124 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.581 COC1=CC=CC2=C1N=C(Cl)N2 F15889 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.581 COC1=CC=CC2=C1N=C(Cl)O2 F50758 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.581 COC1=CC=CC2=C1N=C(S)O2 F51132 [1,0,0,0,0,0|1,1,1]=4 11 B13R2.581 COC1=CC=CC2=C1NC(=O)N2 F15888 [1,0,0,0,0,0|0,0,0]=1 12 B13R2.581 COC1=CC=CC2=C1NC(=O)S2 25427 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.581 N#CC1=CC=CC2=C1CC(=O)N2 38270 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.4825 CC1=CC=CC2=C1OC(=O)N2C F20193 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 82076 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.4825 NC1=CC=CC2=C1NC(=O)C2=O AC5802 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.4825 O=C1NC2=C(C=CC=C2O)C1=O AC3054 [1,0,0,0,0,0|1,0,1]=3 18 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 82428 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.91 COC1=C(NC(=O)CCl)C=CC=C1 C75623 [0,0,1,0,0,0|2,0,0]=3 20 B13R1.91 COC1=C(NC(=O)CN)C=CC=C1 AB22059 [0,0,1,0,0,0|2,0,0]=3 21 B13R1.642 COC1=CC=CC([C@@H](N)C(=O)O)=C1 N12236 [0,0,1,0,0,0|3,0,0]=4 22 B15R2.20937 COC1=C2OC(=O)C=C(O)C2=CC=C1 AC1960 [0,0,0,0,0,1|2,0,0]=3 23 B15R2.20937 COC1=CC=CC2=C(O)C=C(C)N=C12 P16937 [0,0,0,0,0,1|2,0,1]=4 24 B12R1.440 COC1=CC=CC(C(C)=O)=C1N 11655 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.440 COC1=CC=CC(C(N)=O)=C1N F15887 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.440 COC1=NC=CC(C(=O)O)=C1N 82990 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.75 CCC1=C(CC(=O)O)C=CC=C1 C15212 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.75 COC1=C(CC(=O)O)C=CC=N1 71805 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.438 COC1=CC(NC(=N)N)=CC=C1 27058 [1,0,1,0,0,0|1,0,0]=3 30 B12R2.196 CN1C=CC2=C(O)C=CC=C21 25848 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.315 CCC1=C2NC=CC2=CC=C1 60975 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.315 COC1=C2C=CNC2=CN=C1 P11513 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.315 COC1=C2N=CNC2=CC=C1 C74404 [2,0,0,0,0,0|0,0,1]=3 34 B12R2.315 COC1=C2NC=CC2=NC=C1 69408 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.315 COC1=C2SC=NC2=CC=C1 F13989 [2,0,0,0,0,0|1,0,1]=4 36 B12R2.315 COC1=CC=CC2=C1C=CS2 I11382 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.315 COC1=CC=CC2=C1N=CO2 D83924 [2,0,0,0,0,0|1,0,1]=4 38 B12R2.315 COC1=NC=CC2=C1C=CN2 76147 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.315 COC1=NC=CC2=C1NC=C2 BL000868 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.202 CC1=C2N=C(N)NC2=CC=C1 72382 [2,0,0,0,0,0|1,0,1]=4 41 B12R2.202 CC1=C2N=C(N)NC2=CC=C1 C73050 [2,0,0,0,0,0|1,0,1]=4 42 B12R2.202 CC1=CC2=CC=CC(C)=C2N1 S10129 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.202 CC1=CC=CC2=C1OC(=O)N2 F20152 [2,0,0,0,0,0|1,0,0]=3 44 B12R2.202 CC1=CC=NC2=C1CC(=O)N2 D79082 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 C75634 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.202 CC1=NC2=C(O)C=CC=C2N1 W10564 [2,0,0,0,0,0|1,0,1]=4 47 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 82071 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 D80850 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 70907 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 F15046 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 C91054 [2,0,0,0,0,0|1,0,0]=3 52 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 36174 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 C71607 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 C74328 [2,0,0,0,0,0|1,0,0]=3 55 B12R2.18 CN1C(=O)NC2=C1N=CC=C2 C74108 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [2,0,0,0,0,0|2,0,0]=4 57 B14R1.965 COC1=C(NC(=O)CC#N)C=CC=C1 A12710 [0,1,1,0,0,0|2,0,0]=4 58 B14R1.2180 COC1=CC=CC(OC)=C1NC(C)=O 20872 [0,1,1,0,0,0|2,0,0]=4 59 B14R2.535 O=C1CC2=C(C=CC=C2CCO)N1 C72555 [1,1,0,0,0,0|2,0,0]=4 60 B14R2.712 CC(=O)C1=CC=CC2=C1NC(=O)O2 C11210 [1,1,0,0,0,0|2,0,0]=4 61 B14R2.1925 COC1=C2N=C(C)NC2=CC(Cl)=C1 79665 [1,1,0,0,0,0|1,0,1]=4 62 B14R2.11647 COC1=CC=CC2=C1C=C(C=O)N2 P16434 [1,1,0,0,0,0|1,0,0]=3 63 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(F)C=C1 29557 [1,1,0,0,0,0|1,0,1]=4 64 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Br)=C1 D85469 [1,1,0,0,0,0|1,0,1]=4 65 B16R2.36854 COC1=CC=CC2=C1C(=O)OC(=O)N2C C12354 [0,1,0,0,0,1|2,0,0]=4 66 B16R2.36854 COC1=CC=CC2=C1C(O)=CC(=O)N2C C11605 [0,1,0,0,0,1|2,0,0]=4 67 B16R2.172725 COC(=O)C1=CC=CC2=C1NC(=O)C2=O 55033 [0,2,0,0,0,0|1,0,1]=4 68 B14R2.148 COC1=C(N2CCC2=O)C=CC=C1 F14261 [0,0,1,1,0,0|2,0,0]=4 69 B14R2.11689 COC1=C2C(=CC=C1)NN=C2C=O F17860 [0,0,1,1,0,0|2,0,0]=4 70 B12R1.77 COC1=C(\C(N)=N\O)C=CC=C1 W10707 [0,0,1,0,1,0|1,0,1]=4 71 B14R2.8045 CC1=CC=CC2=C1OC(=O)C=C2O AC1961 [1,0,0,0,0,1|2,0,0]=4 72 B14R2.8045 O=C1C=C(O)C2=CC=CC(F)=C2N1 D80238 [1,0,0,0,0,1|2,0,0]=4 73 B14R2.1815 COC1=CC2=C(C=C1)N(C)C(=O)N2 C15820 [0,0,0,0,1,1|1,0,0]=3