0 B13R1.547 CCC(=O)C1=C(C(=O)O)C=CC=C1 SBB008184 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=C1 SBB007828 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.547 COC(=O)C1=CC=CC=C1B(O)O SBB063239 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.547 COC(=O)C1=CC=NC=C1C(=O)O SBB053821 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.77 CCC(=O)C1=CC=CC=C1OC SBB019455 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.77 CNC1=CC=CC=C1C(=O)OC SBB058534 [1,0,0,0,0,0|0,0,0]=1 6 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 SBB064193 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.77 COC(=O)C1=C(CN)C=CC=C1 SBB092824 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.77 COC(=O)C1=CC=CC=C1C#N SBB053726 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.77 COC(=O)C1=CC=CC=C1OC SBB061390 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 SBB040611 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 SBB017611 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 SBB000148 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.261 CC(=O)C1=C(C(C)=O)C=CC=C1 SBB008490 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O SBB038601 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.261 CN(C)C1=C([N+](=O)[O-])C=CC=C1 SBB007869 [1,0,0,0,0,0|1,0,1]=3 16 B12R1.261 CN(C)C1=CC=NC=C1[N+](=O)[O-] SBB088074 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O SBB052751 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O SBB072166 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 SBB048070 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.261 O=C(O)C1=C(C(=O)O)C=CC=C1 SBB058481 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.261 O=C(O)C1=CC=CC=C1[N+](=O)[O-] SBB058380 [1,0,0,0,0,0|2,0,1]=4 22 B14R1.623 CCOC(=O)C1=CC=CC=C1[N+](=O)[O-] SBB058472 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(F)=C1 SBB092231 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.707 COC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-] SBB064180 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.745 COC(=O)C1=CC=CC=C1C(F)(F)F SBB063346 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.745 COC(=O)C1=CC=CC=C1S(=O)(=O)Cl SBB064247 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.745 COC(=O)C1=CC=CC=C1S(N)(=O)=O SBB048292 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.746 COC(=O)C1=C(C(=O)OC)C=CC=C1 SBB060335 [0,1,0,0,0,0|2,0,0]=3 29 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(N)C=C1 SBB017850 [0,1,0,0,0,0|2,0,1]=4 30 B14R1.1126 COC(=O)C1=CC=C(F)C=C1B(O)O SBB092228 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.7724 CC1CC(=O)C2=C(C=CC=C2)C1=O SBB058530 [0,0,0,1,0,0|3,0,0]=4 32 B12R1.368 COC(=O)C1=CC=NN1C(C)C SBB024574 [0,0,0,0,1,0|3,0,0]=4 33 B14R1.744 COC(=O)C1=C(OC(C)=O)C=CC=C1 SBB007836 [0,0,0,0,0,1|2,0,0]=3 34 B14R1.744 COC(=O)C1=C(OC(F)F)C=CC=C1 SBB020399 [0,0,0,0,0,1|3,0,0]=4 35 B14R1.744 COC(=O)C1=CC=CC=C1NC(C)=O SBB080612 [0,0,0,0,0,1|2,0,0]=3 36 B14R1.3302 CC(C)C1=C(NC(=O)CN)C=CC=C1 SBB005011 [0,0,0,0,0,1|3,0,0]=4 37 B14R1.3302 CC(C)C1=CC=CC=C1NC(=O)CCl SBB004522 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.53 CCC1=CC=CC=C1C(=O)O SBB052735 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 SBB006591 [2,0,0,0,0,0|0,0,0]=2 40 B11R1.53 CNC1=C(C(N)=O)C=CC=C1 SBB017649 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.53 CNC1=CC=CC=C1[N+](=O)[O-] SBB111711 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.53 CNC1=NC=CC=C1C(=O)O SBB027645 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.53 COC1=C([C@@H](C)N)C=CC=C1 SBB027293 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 SBB027290 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.53 COC1=CC=CC=C1C(=O)Cl SBB061370 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.53 COC1=CC=CC=C1C(=O)O SBB040527 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.53 COC1=CC=CC=C1C(C)=O SBB040282 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.53 COC1=NC=CC=C1C(=O)O SBB005441 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.53 CSC1=CC=CC=C1C(=O)O SBB071591 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.53 CSC1=NC=CC=C1C(=O)O SBB003868 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 SBB008461 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.53 NCC1=CC=CC=C1C(=O)O SBB013822 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.53 O=C(O)C1=CC=CC=C1CBr SBB052679 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.53 O=CC1=CC=CC=C1C(=O)O SBB040275 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.222 CC1=CC=CC=C1C(=O)NN SBB028289 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 SBB086854 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.222 CCC(=O)C1=CC=CC=C1O SBB063301 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.222 CNC(=O)C1=C(C)C=CC=C1 SBB086650 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 SBB017650 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.222 COC(=O)C1=C(C)N=CC=C1 SBB065253 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.222 COC(=O)C1=C(I)C=CC=C1 SBB064152 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.222 COC(=O)C1=C(O)C=NC=C1 SBB086891 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.222 COC(=O)C1=C(S)C=CC=C1 SBB108743 [2,0,0,0,0,0|1,0,0]=3 64 B11R1.222 COC(=O)C1=CC=CC=C1Br SBB065110 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.222 COC(=O)C1=CC=CC=C1C SBB063118 [2,0,0,0,0,0|0,0,0]=2 66 B11R1.222 COC(=O)C1=CC=CC=C1Cl SBB058225 [2,0,0,0,0,0|1,0,0]=3 67 B11R1.222 COC(=O)C1=CC=CC=C1F SBB063605 [2,0,0,0,0,0|1,0,0]=3 68 B11R1.222 COC(=O)C1=CC=CC=C1N SBB059788 [2,0,0,0,0,0|0,0,0]=2 69 B11R1.222 COC(=O)C1=CC=CC=C1O SBB053705 [2,0,0,0,0,0|1,0,0]=3 70 B11R1.222 COC(=O)C1=CC=CN=C1N SBB053869 [2,0,0,0,0,0|1,0,0]=3 71 B11R1.222 COC(=O)C1=CC=CN=C1O SBB053833 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.222 COC(=O)C1=CC=CN=C1S SBB073627 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.222 COC(=O)C1=CC=COC1=O SBB053960 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.222 COC(=O)C1=CC=NC=C1N SBB053801 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.222 COC(=O)C1=CN=CC=C1C SBB053807 [2,0,0,0,0,0|1,0,0]=3 76 B11R1.222 COC(=O)C1=CN=CC=C1Cl SBB053827 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.222 COC(=O)C1=CN=CC=C1N SBB053808 [2,0,0,0,0,0|1,0,0]=3 78 B11R1.222 COC(=O)C1=NC=CC=C1N SBB053823 [2,0,0,0,0,0|1,0,0]=3 79 B11R1.222 COC(=O)C1=NC=CN=C1N SBB004048 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.222 NC1=CC=CC=C1C(=O)NO SBB017324 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.222 NNC(=O)C1=CC=CC=C1N SBB021059 [2,0,0,0,0,0|2,0,0]=4 82 B13R1.382 COC(=O)C1=C(N=C=S)C=CC=C1 SBB010050 [1,1,0,0,0,0|0,0,2]=4 83 B13R1.382 COC(=O)C1=CC=CC=C1N=C=O SBB046959 [1,1,0,0,0,0|0,0,2]=4 84 B13R1.464 CCOC(=O)C1=C(OC)C=CC=C1 SBB064138 [1,1,0,0,0,0|1,0,0]=3 85 B13R1.2065 COC(=O)C1=C(CBr)C=C(Br)C=C1 SBB068793 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.2065 COC(=O)C1=CC=C(Br)C=C1OC SBB064895 [1,1,0,0,0,0|1,0,0]=3 87 B13R1.2065 COC(=O)C1=CC=C(I)C=C1OC SBB064630 [1,1,0,0,0,0|1,0,0]=3 88 B13R1.2065 COC(=O)C1=CC=C(N)C=C1OC SBB063338 [1,1,0,0,0,0|1,0,0]=3 89 B13R1.2209 COC(=O)C1=C(OC)C=CC(Cl)=C1 SBB056764 [1,1,0,0,0,0|1,0,0]=3 90 B13R1.2209 COC(=O)C1=CC(Br)=CN=C1OC SBB053830 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.2209 COC(=O)C1=CC(N)=CC=C1OC SBB053737 [1,1,0,0,0,0|1,0,0]=3 92 B13R1.2357 COC(=O)C1=C(F)C=CC=C1OC SBB090145 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.349 CC(C)(C)C1=CC=CC=C1C(=O)O SBB052603 [1,1,0,0,0,0|1,0,0]=3 94 B13R1.349 OC(=O)C1=C(S(C)(=O)=O)C=CC=C1 SBB005803 [1,1,0,0,0,0|2,0,0]=4 95 B15R1.925 COC(=O)C1=C(NC(C)=O)C=CC(Br)=C1 SBB057933 [0,1,0,0,0,1|2,0,0]=4 96 B15R1.925 COC(=O)C1=CC(Cl)=CC=C1NC(C)=O SBB064649 [0,1,0,0,0,1|2,0,0]=4 97 B15R1.925 COC(=O)C1=CC(I)=CC=C1NC(C)=O SBB067794 [0,1,0,0,0,1|2,0,0]=4 98 B15R1.3847 CCC(=O)NC1=CC=CC=C1C(=O)OC SBB035815 [0,1,0,0,0,1|2,0,0]=4 99 B15R1.3847 COC(=O)C1=CC=CC=C1NC(=O)CCl SBB000682 [0,1,0,0,0,1|2,0,0]=4 100 B15R1.11372 COC(=O)C1=CC=CC=C1NS(C)(=O)=O SBB097451 [0,1,0,0,0,1|2,0,0]=4 101 B15R1.38509 COC(=O)C1=CC=CC(N)=C1C(=O)OC SBB072566 [0,2,0,0,0,0|2,0,0]=4 102 B13R2.32 CC1CCC2=CC=CC=C2C1=O SBB067641 [1,0,0,1,0,0|2,0,0]=4 103 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 SBB008494 [1,0,0,1,0,0|2,0,0]=4 104 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 SBB006835 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.12159 CC1(C)OC(=O)C2=CC=CC=C21 SBB056312 [1,0,0,1,0,0|1,0,0]=3 106 B15R2.19309 COC(=O)C1=CC=CC2=C1OC(C)=N2 SBB053988 [0,0,0,1,0,1|2,0,0]=4 107 B15R2.13167 CC1CN(C)C2=C(C=CC=C2)NC1=O SBB045903 [0,0,0,1,0,1|1,0,0]=3 108 B15R2.23388 COC(=O)C1=CN(C)C2=C1C=CC=C2 SBB020306 [0,0,0,1,0,1|0,0,1]=3 109 B11R1.59 COC(=O)C1=C(OC)C=CS1 SBB053876 [1,0,0,0,1,0|2,0,0]=4 110 B13R1.543 CN(C)C1=CC(C(=O)NN)=CC=C1 SBB017702 [0,0,0,0,1,1|2,0,0]=4 111 B13R1.543 COC(=O)C1=CC(C(C)=O)=CC=C1 SBB059243 [0,0,0,0,1,1|2,0,0]=4