0 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 JZ3930 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 JZ3928 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 O=C1C=C(O)SC2=CC=CC=C12 RT10398 [0,0,0,0,0,0|2,1,0]=3 3 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 YH90958 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 XJ2030 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 LQ0482 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 LQ0592 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.24 O=C1N=CC2=CC=CC=C2O1 RT8742 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.24 OC1=CC2=CC=CC=C2C=C1 JZ1057 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LQ1745 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LT1758 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 O=C1C=CNC2=C1C=CC=C2 LT4054 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 O=C1CCOC2=CC=CC=C12 LL0873 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 O=C1NN=NC2=CC=CC=C12 XJ0164 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.7724 O=C1C=C(O)C(=O)C2=CC=CC=C12 HL1152 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.8045 O=C1NC2=C(O)C=CC=C2C(=O)O1 YH65691 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 LQ2737 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.8235 O=C1NC2=CC=C(F)C=C2C(=O)O1 XJ0666 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.8235 O=C1NC2=CC=C(O)C=C2C(=O)O1 YH43591 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.28480 O=C1NC2=C(C(=O)O1)C(F)=CC=C2 LL1428 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(=O)O1 HL4632 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 YH17848 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.29365 O=C1NC2=C(C=CC(Cl)=C2)C(=O)O1 YH00305 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.29365 O=C1NC2=CC(F)=CC=C2C(=O)O1 YH54280 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.29496 CC1(C)CC(=O)C2=CC=CC=C2O1 YH57996 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.29496 CC1(C)NC(=O)C2=CC=CC=C2O1 RT7763 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.29496 O=C1OP(=O)(Cl)OC2=CC=CC=C12 RT16292 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.75 O=CC1=C(OC(F)F)C=CC=C1 XJ6251 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl LQ5094 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.283 CCOC1=CC=CC=C1C(=O)O LL0533 [0,0,1,0,0,0|2,0,0]=3 34 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 YH08219 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.308 O=C(NCO)C1=CC=CC=C1O YH32384 [0,0,1,0,0,0|2,0,0]=3 40 B12R2.18 CC1CC2=CC=CC=C2C1=O LQ3991 [0,0,0,0,1,0|3,0,0]=4 41 B12R2.18 O=C1C2=CC=CC=C2CC1Br XJ1912 [0,0,0,0,1,0|3,0,0]=4 42 B12R2.18 O=C1NC2=CC=CC=C2C1=O JZ1575 [0,0,0,0,1,0|2,0,1]=4 43 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 JZ1733 [0,0,0,0,1,0|2,0,1]=4 44 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 LQ0154 [0,0,0,0,1,0|1,0,1]=3 45 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 LQ2689 [0,0,0,0,1,0|2,0,1]=4 46 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 XJ5075 [0,0,0,0,1,0|1,0,1]=3 47 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 LT0095 [0,0,0,0,1,0|2,0,1]=4 48 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 JZ3058 [0,0,0,0,1,0|2,0,0]=3 49 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 LQ3023 [0,0,0,0,1,0|2,0,0]=3 50 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 YH23871 [0,0,0,0,1,0|2,0,1]=4 51 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 YH55244 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.53 CNC1=CC=CC=C1C(=O)O LQ0517 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.53 COC1=C(C(=O)O)C=CC=C1 XJ0973 [1,0,1,0,0,0|1,0,0]=3 56 B11R1.53 COC1=C(C(=O)O)C=CN=C1 YH12258 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.53 COC1=CC=CC=C1C(N)=O LT1774 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.53 COC1=NC=CC=C1C(=O)O JZ0743 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.53 NNC1=CC=CC=C1C(=O)O JZ0801 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.53 O=C(O)C1=CC=CC=C1CBr HL4661 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.53 O=C(O)C1=CC=CC=C1CBr YH15164 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.53 O=C(O)C1=CC=CC=C1CCl HL4793 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.222 COC(=O)C1=C(C)C=CC=C1 LT7460 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.222 COC(=O)C1=C(I)C=CC=C1 LT1761 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.222 COC(=O)C1=C(O)C=CN=C1 YH13199 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.222 COC(=O)C1=CC=CC=C1O JZ3307 [1,0,1,0,0,0|1,0,0]=3 67 B11R1.222 COC(=O)C1=NC=CC=C1O XJ5981 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 JZ0198 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.222 O=C(NO)C1=CC=CC=C1O JZ1752 [1,0,1,0,0,0|1,0,0]=3 70 B11R1.222 [2H]OC(=O)C1=CC=CC=C1Cl RT12698 [1,0,1,0,0,0|2,0,0]=4 71 B13R1.382 CCOC1=CC=CC=C1C(=O)OC XJ2557 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.572 CCCOC1=CC=CC=C1C(=O)O JZ0208 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.572 COCOC1=CC=CC=C1C(=O)O RT11947 [0,1,1,0,0,0|1,0,0]=3 74 B13R1.446 CCOC(=O)C1=CC(Cl)=CC=C1O RT11873 [0,1,1,0,0,0|2,0,0]=4 75 B13R2.342 O=C1CCOC2=C1C=CC=C2F YH24821 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O LT7340 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.2931 NCC1OC(=O)C2=C1C=CC=C2 RT6239 [0,1,0,0,1,0|2,0,0]=4 78 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 XJ0647 [0,1,0,0,1,0|1,0,1]=4 79 B13R2.5187 O=C1OC(=O)C2=CC(O)=CC=C12 LT5970 [0,1,0,0,1,0|1,0,1]=4 80 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 CJ2941 [0,1,0,0,1,0|1,0,0]=3 81 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 XJ0132 [0,1,0,0,1,0|1,0,1]=4 82 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [0,0,1,0,1,0|1,0,0]=3 83 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 XJ1125 [0,0,1,0,1,0|1,0,1]=4 84 B11R2.10 CC1=CC2=CC=CC=C2O1 LQ2633 [1,0,0,0,1,0|2,0,0]=4