0 B12R1.125 CC(=O)CSC1=CC=CC=C1Cl RT13133 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 YH47112 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.125 O=C(O)CCC1=CC=CC=C1Br XJ4152 [0,0,0,0,0,0|3,1,0]=4 3 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl HL0947 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.17 COCCC1=CC=CC=C1O RT11073 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 CN(C)CCC1=NC=CC=C1 LT3793 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.150 O=C(O)CCC1=C(Cl)C(Cl)=CC=C1 YH08227 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.201 CC(C)CC(=O)C1=CC=CC=C1Br CJ2837 [0,1,0,0,0,0|1,1,1]=4 14 B13R1.201 CC(C)CC(N)C1=CC=CC=C1N RT3355 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O JZ1021 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O JZ1020 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.222 CC1(C)CCC2=CC=CC=C2N1 YH65401 [0,0,0,1,0,0|2,0,0]=3 18 B11R1.86 CC(=O)CC1=CC=CC=C1Br RT11899 [0,0,0,0,1,0|2,1,0]=4 19 B11R1.86 CC(=O)NC1=CC=CC=C1Cl LL0941 [0,0,0,0,1,0|3,0,0]=4 20 B11R1.86 CC(C)OC1=C(O)C=CC=C1 JZ2617 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.86 CC(C)OC1=CC=CC=C1Br JZ4107 [0,0,0,0,1,0|2,1,0]=4 22 B11R1.86 CC(N)CC1=CC=CC=C1F JZ4703 [0,0,0,0,1,0|2,1,0]=4 23 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 LT6517 [0,0,0,0,1,0|3,0,0]=4 24 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [2,0,0,0,0,0|1,1,0]=4 26 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [2,0,0,0,0,0|1,1,0]=4 28 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.4 NC1=CC=CC=C1CCO YH05747 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [2,0,0,0,0,0|0,1,0]=3 31 B10R1.4 NCCC1=CC=CC=C1O RT6527 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.4 NCCN1C=CC=CC1=O YH56675 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [2,0,0,0,0,0|1,1,0]=4 35 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.17 COCCC1=NC=CC=C1 LT3761 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.69 CCCCC1=CC=C(O)C=C1O LQ4153 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.69 O=CCCC1=CC=C(Cl)C=C1Cl RT6466 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.267 CCCCCC1=C(C)C=CC=C1 YH37584 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.374 O=CCCC1=CC(Cl)=CC=C1Cl RT5982 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.21 CC(N)CCC1=CC=C(O)C=C1 RT3075 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 RT12643 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 YH03782 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 LQ0318 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 LT7365 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.151 CC1=CC=CC=C1CC(C)(C)N YH66668 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.224 CC(=O)CC1=CC=CC(Cl)=C1Cl HL3097 [0,1,0,0,1,0|2,0,0]=4 59 B14R1.160 CC(C)NCC(O)C1=C(Cl)C=CC=C1 LT4623 [0,1,0,0,0,1|1,0,0]=3 60 B14R1.160 CC(C)NCC(O)C1=C(Cl)C=CC=C1 YH58204 [0,1,0,0,0,1|1,0,0]=3 61 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 LX2642 [0,0,1,1,0,0|2,0,0]=4 62 B12R2.24 CC1CCC2=CC=CC=C2N1 XJ1928 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.41 C1=CC=C2CCNCCC2=C1 XJ2659 [1,0,0,1,0,0|1,0,0]=3 64 B12R2.196 O=C1CCC2=C1C=CC=C2Cl XJ4153 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.1081 BrC1=CC=CC2=C1CCNC2 YH19833 [1,0,0,1,0,0|0,1,0]=3 66 B12R2.1081 NC1=C2CCCCC2=CC=C1 XJ2066 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.1081 NC1=CC=CC2=C1CCNC2 SY0077 [1,0,0,1,0,0|1,0,0]=3 68 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 YH05386 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.92 CC1(C)CC1C2=CC=CC=C2 LQ3308 [1,0,0,1,0,0|1,0,0]=3 70 B12R2.202 CC1=CC2=C(C=CC=C2Cl)C1 LX2144 [0,0,0,1,1,0|1,0,1]=4 71 B14R2.256 O=C1CC(C2=CC=CC=C2Cl)CN1 YH65777 [0,0,0,1,0,1|2,0,0]=4 72 B14R2.768 CN(C)CC1=CC2=C(C=CC=C2)N1 RT8285 [0,0,0,1,0,1|1,0,1]=4 73 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 LX2229 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [1,0,0,0,1,0|2,0,0]=4 75 B10R1.18 CC(C)CC1=CC=CN=C1 LT3805 [1,0,0,0,1,0|2,0,0]=4 76 B10R1.18 CC(C)NC1=CC=CC=C1 HL0393 [1,0,0,0,1,0|2,0,0]=4 77 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [1,0,0,0,1,0|0,0,0]=2 78 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [1,0,0,0,1,0|2,0,0]=4 79 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [1,0,0,0,1,0|2,0,0]=4 80 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [1,0,0,0,1,0|2,0,0]=4 81 B10R1.61 CC(=O)C1=CC=CC=C1Cl RT11894 [0,0,0,0,2,0|2,0,0]=4 82 B10R1.61 CC(C)C1=C(Br)C=CC=C1 XJ3244 [0,0,0,0,2,0|1,1,0]=4 83 B10R1.61 CC(C)C1=C(N)C=CC=C1 JZ4085 [0,0,0,0,2,0|2,0,0]=4 84 B10R1.61 CC(C)C1=C(O)C=CC=C1 LL0172 [0,0,0,0,2,0|2,0,0]=4 85 B10R1.61 CC(O)C1=CC=CC=C1Cl LQ3656 [0,0,0,0,2,0|2,0,0]=4 86 B10R1.61 CC1=CC=CC=C1N(C)C XJ1085 [0,0,0,0,2,0|1,0,0]=3 87 B10R1.61 CN(C)C1=CC=CC=C1Cl LQ1380 [0,0,0,0,2,0|0,0,0]=2