0 B13R1.547 CNC(=O)C1=C(B(O)O)C=CC=C1 OR361431 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.547 COC(=O)C1=CC=CC=C1C(C)C OR470473 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.547 COC(=O)C1=CC=CC=C1C(F)F PC520720 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.547 COC(=O)C1=CC=CC=C1C(N)=O OR470151 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.547 COC(=O)C1=NC=CC=C1[N+](=O)[O-] OR470250 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.77 C#CC1=CC=CC=C1C(=O)OC OR400248 [1,0,0,0,0,0|1,0,1]=3 6 B12R1.77 CNC(=O)C1=C(CO)C=CC=C1 OR470601 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.77 COC(=O)C1=CN=CN=C1OC OR471128 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.77 COC(=O)C1=NC=CC=C1C=O OR302202 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.77 COC1=CC=CC=C1C(=O)C#N OR305009 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.261 CC(=O)C1=CC=CC=C1C(F)F PC53177 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.261 CN(C)C1=C(C(=O)O)C=CC=C1 OR400613 [1,0,0,0,0,0|0,0,0]=1 12 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O OR200083 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.261 O=C(O)C1=C(C(F)F)C=CC=C1 PC48345 [1,0,0,0,0,0|3,0,0]=4 14 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(C)=C1 OR361343 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(F)=C1 PC1615 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.707 COC(=O)C1=C(C(F)F)C=CC(Br)=C1 PC520315 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(F)=C1 PC7145 [0,1,0,0,0,0|2,0,1]=4 18 B14R1.707 COC(=O)C1=CC(Br)=CN=C1N(C)C OR302658 [0,1,0,0,0,0|1,0,0]=2 19 B14R1.707 COC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-] OR27522 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.745 COC(=O)C1=C(C(F)(F)F)C=CC=C1 PC5171Y [0,1,0,0,0,0|3,0,0]=4 21 B14R1.746 COC(=N)C1=CC=CC=C1C(=O)OC OR470982 [0,1,0,0,0,0|2,0,0]=3 22 B14R1.746 COC(=O)C1=CC=CN=C1C(=O)OC OR323254 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(F)C=C1 PC8106 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.1126 COC(=O)C1=CC=C(F)C=C1B(O)O PC1662 [0,1,0,0,0,0|3,0,0]=4 25 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(Br)=CC=C1 OR52718 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(Cl)=CC=C1 OR401016 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.1153 COC(=O)C1=CC=CC(F)=C1[N+](=O)[O-] PC400724 [0,1,0,0,0,0|2,0,1]=4 28 B14R1.1164 COC(=O)C1=C(B(O)O)C=CC=C1C OR361342 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.1164 COC(=O)C1=C(B(O)O)C=CC=C1F PC412507 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.1164 COC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-] OR401011 [0,1,0,0,0,0|2,0,1]=4 31 B14R1.1164 COC(=O)C1=C(F)C=CC=C1[N+](=O)[O-] PC502597 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.3302 COC(=O)CC1=CC=CC=C1[N+](=O)[O-] OR110947 [0,0,0,0,0,1|2,0,1]=4 33 B11R1.53 CCC1=CC=CC=C1C(=O)Cl OR200067 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.53 CN(C)C1=C(CO)C=CC=C1 OR400569 [2,0,0,0,0,0|0,0,1]=3 35 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 OR10023 [2,0,0,0,0,0|0,0,0]=2 36 B11R1.53 CNC1=C(C(=O)O)C=CN=C1 OR471460 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.53 COC1=C(C(C)=O)C=NC=C1 OR302198 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.53 COC1=NC=CC=C1C(C)=O OR302200 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.53 CSC1=C(C(N)=O)C=CC=C1 OR200156 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 PC4188 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.222 CCC(=O)C1=CC=CC=C1Cl OR350082 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 OR54613 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.222 COC(=N)C1=CC=CC=C1Br OR470984 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.222 COC(=O)C1=C(C)C=NC=C1 OR302525 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.222 COC(=O)C1=C(F)C=CC=C1 PC5088 [2,0,0,0,0,0|1,0,0]=3 46 B11R1.222 COC(=O)C1=CC=CN=C1F PC201254 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.222 COC(=O)C1=CC=CN=C1N OR110267 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.222 COC(=O)C1=CC=NC=C1F PC430141 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.222 COC(=O)C1=CN=CC=C1C OR315098 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.222 COC(=O)C1=NC=CC=C1C OR315203 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 OR1896 [2,0,0,0,0,0|2,0,0]=4 52 B13R1.107 COC(=O)C1=C(C=O)C(F)=CC=C1 PC501662 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.107 COC(=O)C1=C(CBr)C(F)=CC=C1 PC500509 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.107 COC(=O)C1=C(CO)C(F)=CC=C1 PC501523 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.107 COC(=O)C1=C(OC)C(Cl)=CC=C1 OR400986 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.107 COC(=O)C1=C(OC)C(F)=CC=C1 PC502591 [1,1,0,0,0,0|1,0,0]=3 57 B13R1.107 COC(=O)C1=C(OC)C(I)=CC=C1 OR401039 [1,1,0,0,0,0|1,0,0]=3 58 B13R1.107 COC(=O)C1=NC=CC(Cl)=C1OC OR311222 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.2065 CNC1=C(C(=O)OC)C=NC(Cl)=C1 OR310444 [1,1,0,0,0,0|1,0,0]=3 60 B13R1.2065 CNC1=C(C(=O)OC)C=NC(F)=C1 PC400036 [1,1,0,0,0,0|1,0,0]=3 61 B13R1.2065 COC(=O)C1=C(C#N)C=C(F)C=C1 PC903820 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.2065 COC(=O)C1=C(C=O)C=C(F)C=C1 PC501573 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.2065 COC(=O)C1=C(CBr)C=C(F)C=C1 PC500511 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.2065 COC(=O)C1=C(CO)C=C(F)C=C1 PC501574 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.2065 COC(=O)C1=C(OC)C=C(Br)C=C1 OR322451 [1,1,0,0,0,0|1,0,0]=3 66 B13R1.2065 COC(=O)C1=C(OC)C=C(C)C=C1 OR400251 [1,1,0,0,0,0|1,0,0]=3 67 B13R1.2065 COC(=O)C1=CC=C(F)C=C1OC PC200606 [1,1,0,0,0,0|1,0,0]=3 68 B13R1.2065 COC(=O)C1=CN=C(Cl)C=C1NN OR303830 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.2065 COC(=O)C1=CN=C(Cl)C=C1OC OR303810 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.2209 CNC(=O)C1=CC(Br)=CN=C1NC OR303149 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.2209 COC(=O)C1=C(C#N)C=CC(N)=C1 OR400713 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.2209 COC(=O)C1=C(C=O)C=CC(F)=C1 PC501659 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.2209 COC(=O)C1=C(CBr)C=CC(F)=C1 PC500512 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.2209 COC(=O)C1=C(CO)C=CC(F)=C1 PC501642 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.2209 COC(=O)C1=C(OC)C=CC(F)=C1 PC502593 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.2209 COC(=O)C1=C(OC)C=CC(I)=C1 OR401043 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.2209 COC(=O)C1=CC(F)=CC=C1C#N PC201268 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.2357 COC(=O)C1=C(Br)C=CC=C1OC OR400098 [1,1,0,0,0,0|1,0,0]=3 79 B13R1.2357 COC(=O)C1=C(C#N)C=CC=C1F PC430002 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.2357 COC(=O)C1=C(CBr)C=CC=C1F PC500510 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.2357 COC(=O)C1=C(Cl)C=CC=C1OC OR400982 [1,1,0,0,0,0|1,0,0]=3 82 B13R1.2357 COC(=O)C1=C(F)C=CC=C1C=O PC501668 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.2357 COC(=O)C1=C(F)C=CC=C1CO PC501606 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.2357 COC(=O)C1=C(F)C=CC=C1OC PC0870 [1,1,0,0,0,0|1,0,0]=3 85 B13R1.2357 COC(=O)C1=C(I)C=CC=C1OC OR401035 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.165 CN(C)C1=C(C(=O)O)C=C(Br)C=C1 OR400617 [1,1,0,0,0,0|0,0,0]=2 87 B13R1.165 CN(C)C1=C([N+](=O)[O-])C=C(F)C=C1 PC8048 [1,1,0,0,0,0|1,0,1]=4 88 B13R1.349 CC(=O)C1=CC=CC=C1S(C)(=O)=O OR400536 [1,1,0,0,0,0|2,0,0]=4 89 B15R1.11677 COC(=O)C1=C(NC(C)C)C=C(F)N=C1 PC400035 [0,1,0,0,0,1|2,0,0]=4 90 B15R1.986 COC(=O)C1=C(C(OC)OC)C=CC=N1 OR302201 [0,2,0,0,0,0|2,0,0]=4 91 B15R1.38509 COC(=O)C1=C(C(=O)OC)C(I)=CC=C1 OR111345 [0,2,0,0,0,0|2,0,0]=4 92 B13R2.5252 O=C1CCCNC2=CC=CC=C12 OR315598 [1,0,0,1,0,0|1,0,0]=3 93 B13R2.5514 O=C(O)C1=C(C2CC2)C=CN=C1 OR306619 [1,0,0,1,0,0|2,0,0]=4 94 B13R2.5514 O=C(O)C1=C(C2CC2)C=NC=C1 OR306658 [1,0,0,1,0,0|2,0,0]=4 95 B15R2.23388 COC(=O)C1=NN(C)C2=C1C=CC=C2 OR300142 [0,0,0,1,0,1|1,0,0]=3 96 B15R2.23388 COC(=O)C1=NN(C)C2=NC=CC=C12 OR111162 [0,0,0,1,0,1|2,0,0]=4 97 B15R2.7340 CN1C(=O)CNC(=O)C2=CC=CC=C21 OR350251 [0,1,0,1,0,0|1,0,1]=4 98 B15R2.19310 COC(=O)C1=CC=CC2=C1C(=O)NC2 OR305299 [0,1,0,1,0,0|2,0,0]=4 99 B15R2.19310 COC(=O)C1=CC=CC2=C1N(C)C=C2 OR470584 [0,1,0,1,0,0|0,0,1]=3 100 B11R1.59 COC(=O)C1=CSC=C1OC OR25040 [1,0,0,0,1,0|2,0,0]=4 101 B13R1.91 COC(=O)CC1=CC=CC=C1C#N OR315359 [1,0,0,0,0,1|2,0,0]=4 102 B13R1.543 COC(=O)C1=CC=CC(C(C)O)=C1 OR471065 [0,0,0,0,1,1|2,0,0]=4 103 B15R1.1108 COC(=O)COC1=CC=CC=C1C(C)=O OR471072 [0,0,0,0,0,2|2,0,0]=4