0 B12R1.46 COC1=C(C(=O)O)C=C(O)C=C1 D95032 [1,0,0,0,0,0|2,0,1]=4 1 B12R1.46 COC1=C(C(C)C)C=C(N)C=C1 C77115 [1,0,0,0,0,0|1,0,0]=2 2 B12R1.128 CC(C)(C)C1=C(N)C=CC(Cl)=C1 D93853 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.128 CC(C)(C)C1=C(O)C=CC(Cl)=C1 27053 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.128 CC(C)(C)C1=C(O)C=CC(N)=C1 D77622 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.128 CC(C)(C)C1=C(O)C=CC(N)=C1 F51070 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.3720 COC1=C(C(F)(F)F)C=C(CO)C=C1 W17535 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.4536 CC1(C)CCSC2=C1C=C(Br)C=C2 F21004 [0,0,0,1,0,0|1,1,0]=3 8 B14R2.4536 CC1(C)CNCC2=C1C=C(Br)C=C2 C71694 [0,0,0,1,0,0|3,0,0]=4 9 B14R2.8732 CC1(C)CC(=O)C2=C1C=C(Br)C=C2 F12557 [0,0,0,1,0,0|3,0,0]=4 10 B14R2.8732 CC1(C)C[C@H](O)C2=C1C=C(Br)C=C2 W17097 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 C74737 [2,0,0,0,0,0|1,0,0]=3 12 B11R1.37 COC1=C(C=O)C=C(O)C=C1 C74824 [2,0,0,0,0,0|1,0,1]=4 13 B11R1.37 COC1=C(CBr)C=C(Cl)C=C1 72125 [2,0,0,0,0,0|2,0,0]=4 14 B11R1.37 COC1=C(CCl)C=C(Cl)C=C1 71375 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.37 COC1=C(CN)C=C(Br)C=C1 F20543 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 C74800 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 O10127 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.37 COC1=C(CN)C=C(F)C=C1 N12548 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.37 COC1=C(CN)C=C(N)C=C1 O10877 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.37 COC1=C(CO)C=C(C)C=C1 A12781 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 20565 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.37 COC1=C(SC)C=C(Br)C=C1 F15582 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 39100 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11921 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11922 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12590 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12977 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 52750 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 F16921 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 N10418 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 Y10162 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 Y10512 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.53 COC1=NC=CC=C1[C@H](C)O CS1968 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [2,0,0,0,0,0|1,0,1]=4 36 B11R1.167 CC(C)C1=C(F)C=CC(I)=C1 C72486 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 S10162 [2,0,0,0,0,0|0,0,0]=2 38 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y12032 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y12589 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y12591 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 N13078 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.167 CN(C)C1=C(I)C=CC(O)=C1 C71961 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.167 C[C@H](N)C1=C(O)C=CC(F)=C1 Y11757 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.167 C[C@H](N)C1=C(O)C=CC(F)=C1 Y11758 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.167 C[C@H](N)C1=C(O)C=CC(F)=C1 Y12285 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.87 CC(C)(C)C1=C(Br)C=CC=C1 C76258 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.87 CC(C)(N)C1=C(Br)C=CC=C1 Y10933 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.87 C[Si](C)(C)C1=C(F)C=CC=C1 AC4958 [2,0,0,0,0,0|1,1,0]=4 49 B11R1.87 C[Si](C)(C)C1=C(O)N=CC=C1 W19401 [2,0,0,0,0,0|1,1,0]=4 50 B11R1.155 CC(C)(C)C1=CC(Cl)=NC=C1 67547 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.155 CC(C)(C)C1=CC(N)=NC=C1 C90452 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 54478 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.155 CC(C)(C)C1=CC=CC(Cl)=N1 N11822 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.155 CC(C)(C)C1=CC=CC(N)=N1 F30953 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.155 CC(C)(C)C1=NC=CC(Br)=C1 54297 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.155 CC(C)(C)C1=NC=CC(O)=C1 F51926 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.155 CC(C)(N)C1=CC=CC(F)=C1 N10807 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.155 CC(C)(O)C1=CC=CC(O)=C1 AC1663 [2,0,0,0,0,0|1,0,0]=3 59 B13R1.2430 COC1=C(C(C)C)C=C(C=O)C=C1 S11904 [1,1,0,0,0,0|0,0,1]=3 60 B13R1.53 COC1=C(C(C)(C)O)C=CC(Br)=C1 88291 [1,1,0,0,0,0|1,0,0]=3 61 B13R1.108 COC1=C(Br)C=CC=C1C(C)(C)C D86435 [1,1,0,0,0,0|0,0,0]=2 62 B13R1.349 CC(C)(C)C1=C(C(=O)O)C=CC=C1 C14140 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.98 CC(C)(C)C1=C(O)C=CC(C#N)=C1 78012 [1,1,0,0,0,0|1,0,0]=3 64 B13R1.98 COC1=CC(C(C)(C)O)=C(O)C=C1 F30967 [1,1,0,0,0,0|1,0,0]=3 65 B13R1.877 CC(C)(C)C1=CC(=O)C(O)=CC1=O D93495 [1,1,0,0,0,0|0,0,2]=4 66 B13R1.877 CC1=C(Br)C=C(C(C)(C)C)C(O)=C1 58321 [1,1,0,0,0,0|1,0,0]=3 67 B13R1.2815 CC1=CC(Br)=C(O)C(C(C)(C)C)=C1 W17711 [1,1,0,0,0,0|1,0,0]=3 68 B15R1.25 COC1=C(C(C)(C)C)C=C(C(=O)O)C=C1 E70322 [0,2,0,0,0,0|0,0,0]=2 69 B13R2.162 CC1=CC2=C(C=C1)OCC[C@@H]2N F17001 [1,0,0,1,0,0|2,0,0]=4 70 B13R2.162 CC1=CC2=C(C=C1)OCC[C@@H]2N N12554 [1,0,0,1,0,0|2,0,0]=4 71 B13R2.162 CC1=CC2=C(C=C1)OCC[C@@H]2N Y10671 [1,0,0,1,0,0|2,0,0]=4 72 B13R2.162 CC1=CC2=C(C=C1)OCC[C@@H]2N Y11841 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.162 CC1=CC2=C(C=C1)OCC[C@@H]2N Y12030 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.162 CN1CCCC2=C1C=C(O)C=C2 D83822 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.162 CN1CCOC2=C1C=C(N)C=C2 D70083 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.162 C[C@H]1CCNC2=C1C=C(Cl)C=C2 W16322 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.162 N[C@H]1CCOC2=C1C=C(Br)C=C2 I11374 [1,0,0,1,0,0|2,0,0]=4 78 B13R2.162 N[C@H]1CCOC2=C1C=C(Br)C=C2 N10963 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.162 N[C@H]1CCOC2=C1C=C(Br)C=C2 W10435 [1,0,0,1,0,0|2,0,0]=4 80 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 I11329 [1,0,0,1,0,0|2,0,0]=4 81 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 I11332 [1,0,0,1,0,0|2,0,0]=4 82 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 I11430 [1,0,0,1,0,0|2,0,0]=4 83 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 I11940 [1,0,0,1,0,0|2,0,0]=4 84 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 I11335 [1,0,0,1,0,0|2,0,0]=4 85 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 Y10104 [1,0,0,1,0,0|2,0,0]=4 86 B13R2.162 O=C1CCOC2=C1C=C(O)C=C2 W17780 [1,0,0,1,0,0|1,0,1]=4 87 B13R2.162 O[C@H]1CCOC2=C1C=C(Br)C=C2 72250 [1,0,0,1,0,0|2,0,0]=4 88 B13R2.3791 CC1(C)CNC2=C1C=C(Br)C=C2 P15412 [1,0,0,1,0,0|2,0,0]=4 89 B13R2.3791 CC1(C)COC2=C1C=C(Br)C=C2 53341 [1,0,0,1,0,0|1,0,0]=3 90 B13R2.91 COC1=C(C2(N)CC2)C=CC=C1 E10041 [1,0,0,1,0,0|1,0,0]=3 91 B13R2.3122 CC1(C)CCNC2=C1C=CC=C2 W18201 [1,0,0,1,0,0|1,0,0]=3 92 B13R2.12159 CC1=CC(C)(C)C2=C1C=CC=C2 D93282 [1,0,0,1,0,0|1,0,1]=4 93 B15R2.14787 CC1(C)CCC(=O)C2=C1C=C(Br)C=C2 I10575 [0,1,0,1,0,0|2,0,0]=4 94 B15R2.63892 CN1C(=O)C(C)(C)C2=C1C=CC(O)=C2 W14989 [0,1,0,1,0,0|1,0,1]=4 95 B15R2.4845 C#CC1=CC2=C(C=C1)SCCC2(C)C 82358 [0,1,0,1,0,0|1,1,0]=4