0 B13R1.547 COC(=O)C1=C(B(O)O)C=CC=C1 AC-2662 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.547 COC(=O)C1=CC=CN=C1C(=O)O AC-14316 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.547 COC(=O)C1=NC=CC=C1C(=O)O AC-27070 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.547 COC(=O)C1=NC=CC=C1N(=O)=O AC-23563 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.77 CCC1=C(C(=O)NN)C=CC=C1 AC-7807 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.77 COC(=O)C1=C(OC)C=CC=N1 AC-25167 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.77 COC(=O)C1=CC=CC=C1CBr AC-601 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.77 COC(=O)C1=CC=CN=C1C#N AC-14259 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.77 COC(=O)C1=CC=CN=C1OC AC-22521 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.77 COC(=O)C1=NC=CC=C1C#N AC-14849 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.77 COC(=O)C1=NC=CC=C1CBr AC-14312 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.261 CC(=O)C1=C([N+](=O)[O-])C=CC=C1 AC-2890 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O AC-24657 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.261 CC(C)C1=NC=CC=C1C(N)=O AC-16635 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O AC-1543 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O AC-14464 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.261 O=C(O)C1=CC=CC=C1[N+](=O)[O-] AC-652 [1,0,0,0,0,0|2,0,1]=4 17 B14R1.623 CCOC(=O)C1=CC=CC=C1N(C)C AC-6769 [0,1,0,0,0,0|0,0,0]=1 18 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Cl)=C1 AC-13707 [0,1,0,0,0,0|2,0,1]=4 19 B14R1.707 COC(=O)C1=CC(N)=CC=C1[N+](=O)[O-] AC-29415 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.745 COC(=O)C1=C(S(=O)(=O)Cl)C=CC=C1 AC-26478 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.746 COC(=O)C1=CC=CN=C1C(=O)OC AC-25600 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.1126 COC(=O)C1=C(N(=O)=O)C=C(Cl)C=C1 AC-26028 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(C)=CC=C1 AC-5779 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.1164 COC(=O)C1=C(N(=O)=O)C=CC=C1C AC-26058 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.1164 COC(=O)C1=C(N)C=CC=C1N(=O)=O AC-2924 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.3302 COC(=O)CC1=C([N+](=O)[O-])C=CC=C1 AC-29351 [0,0,0,0,0,1|2,0,1]=4 27 B11R1.53 CNC1=CC=CC=C1C(=O)O AC-24424 [2,0,0,0,0,0|0,0,0]=2 28 B11R1.53 CNC1=NC=CC=C1C(=O)O AC-30699 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.53 COC1=C(C(=O)O)C=CC=C1 AC-3023 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.53 COC1=C(C(C)C)C=CC=C1 AC-17929 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.53 COC1=CC=CN=C1C(=O)O AC-27556 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.53 COC1=CC=CN=C1C(C)=O AC-27113 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.53 COC1=CN=CC=C1C(=O)O AC-23305 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.53 COC1=NC=CC=C1C(C)=O AC-33323 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.53 N#CC1=CC=CC=C1C(=O)O AC-23088 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.53 NNC1=CC=CC=C1C(=O)O AC-19632 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.53 O=C(O)C1=CC=CC=C1CBr AC-25720 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 AC-10641 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 AC-10642 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.222 CNC(=O)C1=CC=CC=C1N AC-4392 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.222 CNC(=O)C1=CC=CC=C1S AC-26794 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.222 COC(=O)C1=C(C)C=NC=C1 AC-31901 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.222 COC(=O)C1=C(Cl)C=NC=C1 AC-33443 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.222 COC(=O)C1=C(I)C=CC=C1 AC-18402 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AC-11600 [2,0,0,0,0,0|0,0,0]=2 46 B11R1.222 COC(=O)C1=C(N)C=CN=C1 AC-23197 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.222 COC(=O)C1=C(N)C=NC=C1 AC-23256 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.222 COC(=O)C1=C(N)C=NC=C1 AC-3576 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.222 COC(=O)C1=C(N)N=CC=N1 AC-1928 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.222 COC(=O)C1=C(O)C=CN=C1 AC-6153 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.222 COC(=O)C1=C(O)N=CC=C1 AC-25219 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.222 COC(=O)C1=CC=CC=C1Br AC-13649 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.222 COC(=O)C1=CC=CC=C1O AC-11584 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.222 COC(=O)C1=CC=CN=C1Br AC-3490 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.222 COC(=O)C1=CC=CN=C1Cl AC-14858 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.222 COC(=O)C1=CC=CN=C1F AC-7001 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.222 COC(=O)C1=CC=CN=C1N AC-3584 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.222 COC(=O)C1=CC=NC=C1Br AC-23255 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.222 COC(=O)C1=CC=NC=C1O AC-23184 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.222 COC(=O)C1=NC=CC=C1Br AC-7316 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.222 COC(=O)C1=NC=CC=C1F AC-23661 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.222 COC(=O)C1=NC=CC=C1N AC-27069 [2,0,0,0,0,0|1,0,0]=3 63 B11R1.222 COC(=O)C1=NC=CC=C1O AC-1287 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.222 COC(=O)C1=NC=CN=C1C AC-33818 [2,0,0,0,0,0|2,0,0]=4 65 B13R1.107 COC(=O)C1=CC=CC(Br)=C1CBr AC-9420 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.464 CCOC(=O)C1=C(C#N)C=CC=C1 AC-28477 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.464 CCOC(=O)C1=CC=CC=C1CBr AC-25617 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.464 CCOC(=O)C1=CC=CC=C1CI AC-5750 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.2065 COC(=O)C1=CC=C(Br)C=C1CBr AC-29639 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.2065 COC(=O)C1=CC=C(Cl)C=C1OC AC-24331 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.2065 COC(=O)C1=CC=C(F)C=C1OC AC-14741 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.2065 COC(=O)C1=CC=C(O)C=C1OC AC-33589 [1,1,0,0,0,0|1,0,0]=3 73 B13R1.2209 COC(=O)C1=CC(Br)=CN=C1OC AC-9433 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.2209 COC(=O)C1=CC(Cl)=CN=C1OC AC-23264 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.2209 COC(=O)C1=CC(F)=CC=C1C#N AC-28630 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.2209 COC(=O)C1=NC(Br)=CC=C1OC AC-27210 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.2357 COC(=O)C1=C(Cl)C=CN=C1OC AC-33315 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1N AC-33907 [1,1,0,0,0,0|1,0,0]=3 79 B13R1.2357 COC(=O)C1=C(OC)C=CN=C1Cl AC-33317 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.349 CS(=O)(=O)C1=CC=CC=C1C(=O)O AC-2866 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.582 COC1=CC=CC2=C1C(=O)CC2 AC-23408 [1,0,0,1,0,0|2,0,0]=4 82 B13R2.1613 COC1=CCCC2=CC=CC=C21 AC-20822 [1,0,0,1,0,0|2,0,0]=4 83 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 AC-26339 [1,0,0,1,0,0|2,0,0]=4 84 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 AC-6631 [1,0,0,1,0,0|1,0,0]=3 85 B13R2.5252 O=C1NCCCC2=CC=CC=C12 AC-6563 [1,0,0,1,0,0|2,0,0]=4 86 B15R2.19309 COC(=O)C1=CC=CC2=C1NC(=O)C2 AC-27819 [0,0,0,1,0,1|2,0,0]=4 87 B15R2.23388 COC(=O)C1=NN(C)C2=C1C=CC=C2 AC-11941 [0,0,0,1,0,1|1,0,0]=3 88 B13R1.543 COC(=O)C1=CC(N(C)C)=CN=C1 AC-22846 [0,0,0,0,1,1|1,0,0]=3