0 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [0,0,0,0,0,0|3,1,0]=4 5 B11R1.19 FC(F)(F)C1=CC=C(C=C1)S CDS007567 [0,0,0,0,0,0|0,1,0]=1 6 B11R1.19 FC(F)(F)C1=CN=C(C=C1)I ADE000407 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)O S573213 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,0,0,0,0,0|2,1,0]=4 11 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.28 FC(F)(F)C1=CN=CN=C1 MNO000108 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.6 FC(F)(F)C1=CC=C(C=C1)CS CDS003799 [0,1,0,0,0,0|0,1,0]=2 19 B12R1.6 NCC1=CC=C(C=N1)C(F)(F)F CDS009503 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.23 CC1=CC=C(C=C1Br)C(F)(F)F CDS000804 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.23 CN1C=C(C=CC1=O)C(F)(F)F T308080 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.23 FC(F)(F)C1=CN=C(C(=C1)I)Cl ADE000146 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.23 FC(F)(F)C1=CN=C(C(=C1)I)I ADE000167 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.23 FC1=C(N=C(C=C1)C(F)(F)F)Cl MNO000117 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.23 FC1=CC(=CN=C1F)C(F)(F)F CDS002966 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.23 NC1=C(C=C(C=C1)C(F)(F)F)F CDS003152 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.23 NC1=C(C=C(C=C1)C(F)(F)F)N CDS003449 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.23 NC1=CC=C(N=C1Br)C(F)(F)F CDS023398 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.23 NC1=NC=C(C=C1I)C(F)(F)F ADE000574 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.23 OC1=CC=C(C=C1Cl)C(F)(F)F CDS003105 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.23 OC1=NC=C(C=C1I)C(F)(F)F ADE000145 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.126 CC1=CC=C(C(=C1)Br)C(F)(F)F CDS023525 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.126 CC1=NC(=C(C=C1)C(F)(F)F)Cl MNO000074 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.126 FC1=C(N=CC(=C1)Br)C(F)(F)F MNO000114 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.126 FC1=CN=C(C(=C1)Br)C(F)(F)F MNO000181 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.126 FC1=NC(=C(C=C1)C(F)(F)F)F MNO000095 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.126 OC1=C(C=CC(=C1)F)C(F)(F)F MNO000015 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.55 CC1=CC=C(O1)[B-](F)(F)F CVT00090 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.55 CC1=NC(=CN1)C(F)(F)F MNO000165 [0,0,0,0,1,0|3,0,0]=4 40 B10R1.55 CC1=NC=C(N1)C(F)(F)F PH009567 [0,0,0,0,1,0|3,0,0]=4 41 B10R1.55 NC1=CC(=NN1)C(F)(F)F CDS004309 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.55 NC1=NC(=CS1)C(F)(F)F CDS008036 [0,0,0,0,1,0|3,0,0]=4 43 B10R1.55 NC1=NC(=CS1)C(F)(F)F SYX00174 [0,0,0,0,1,0|3,0,0]=4 44 B12R1.106 FC(F)(F)OC1=CN=C(C=C1)Br MNO000171 [0,0,0,0,0,1|2,0,0]=3 45 B12R1.106 NC1=CC=C(C=C1)OC(F)(F)Cl CDS012455 [0,0,0,0,0,1|1,1,0]=3 46 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.21 FC1=C(C=C(C=C1)C(F)F)F MNO000096 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.87 CC1=C(C=CC=N1)C(F)(F)F MNO000078 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.87 CC1=C(N=CC=C1)C(F)(F)F MNO000066 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.87 CC1=C(N=CC=N1)C(F)(F)F MNO000132 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.87 FC(F)(F)C1=C(C=CC=N1)Cl MNO000190 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.87 FC1=NC=CC=C1C(F)(F)F CDS002684 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.87 NC1=CC=CC=C1C(F)(F)F S677965 [1,1,0,0,0,0|0,0,0]=2 61 B11R1.155 CC1=CC=NC(=C1)C(C)(F)F MNO000145 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.155 FC(F)(F)C1=CC(=CC=N1)Cl CDS002742 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.155 F[B-](F)(F)C1=CC=CC(=C1)I CDS000765 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.155 NC1=CC=CC(=C1)C(F)(F)F S677973 [1,1,0,0,0,0|0,0,0]=2 65 B11R1.155 OC1=CN=CC(=C1)C(F)(F)F MNO000130 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.45 FC(F)(F)C1=CC=C(O1)CBr CDS014015 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.45 NCC1=CC=C(O1)C(F)(F)F CDS017060 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.45 O=CC1=CC=C(O1)C(F)(F)F CDS014856 [0,1,0,0,1,0|1,0,1]=4 69 B13R1.4 FC(F)(F)CC1=CC=C(C=C1)CBr MNO000119 [0,1,0,0,0,1|1,0,0]=3 70 B13R1.4 FC(F)(F)OC1=CC=C(C=C1)CCl CDS021452 [0,1,0,0,0,1|1,0,0]=3 71 B13R1.4 FC(F)(F)OC1=CC=C(C=C1)CS CDS003636 [0,1,0,0,0,1|0,1,0]=3 72 B13R1.4 [C-]#[N+]C1=CC=C(C=C1)OC(F)(F)F PH014993 [0,1,0,0,0,1|1,0,0]=3 73 B13R1.518 CC1=C(C=CC(=C1)SC(F)(F)F)O PH011210 [0,1,0,0,0,1|0,0,0]=2 74 B13R1.525 NC(C1=CC=C(C=C1)F)C(F)(F)F MNO000111 [0,1,0,0,0,1|1,0,0]=3 75 B13R1.883 NC1=CC(=C(C=C1)OC(F)(F)F)Cl CDS003077 [0,1,0,0,0,1|1,0,0]=3 76 B13R1.883 NC1=CC=C(C(=C1)Cl)SC(F)(F)F CDS000785 [0,1,0,0,0,1|1,0,0]=3 77 B13R1.38 CCC1=NC=C(C=C1Cl)C(F)(F)F KOB0102 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.38 COC1=C(C=C(C=C1)[B-](F)(F)F)F BCH00047 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.96 FC1=C(C=CC(=C1)CBr)C(F)(F)F CDS003039 [0,2,0,0,0,0|1,0,0]=3 80 B13R1.96 NCC1=CC(=C(C=C1)C(F)(F)F)F CDS000899 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.96 OCC1=CC(=C(C=C1)C(F)(F)F)F PH014265 [0,2,0,0,0,0|0,0,0]=2 82 B13R1.140 C(=O)CC1=CC=C(C=C1)C(F)(F)F CDS023320 [0,2,0,0,0,0|0,0,1]=3 83 B13R1.140 NCCC1=CC=C(C=N1)C(F)(F)F CDS011759 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.338 CC(N)C1=CC=C(C=C1)C(F)(F)F CDS020107 [0,2,0,0,0,0|1,0,0]=3 85 B13R1.338 N=C(N)C1=CC=C(C=C1)C(F)(F)F CVT00069 [0,2,0,0,0,0|1,0,0]=3 86 B13R1.338 NC(=O)C1=CC=C(C=N1)C(F)(F)F T324590 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.338 OB(O)C1=CN=C(N=C1)C(F)(F)F CDS021108 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.50 CC1=CC=C(C=C1C=O)C(F)(F)F CDS022321 [0,2,0,0,0,0|1,0,0]=3 89 B13R1.50 CC1=CC=C(C=C1CBr)C(F)(F)F CDS021702 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.50 FC1=CC=C(C=C1CBr)C(F)(F)F CDS003078 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.50 N#CC1=CC(=CC=C1Br)C(F)(F)F CDS003004 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.50 NC1=NC=C(C=C1C=O)C(F)(F)F ADE000170 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.50 O=CC1=CC(=CC=C1Br)C(F)(F)F CDS004622 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.50 OCC1=CC(=CC=C1F)C(F)(F)F PH014242 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.50 OCC1=CC(=CN=C1Cl)C(F)(F)F CDS021164 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.877 FC1=CC(=C(C=C1F)C(F)(F)F)Br MNO000200 [0,2,0,0,0,0|1,0,0]=3 97 B13R1.877 FC1=CC(=C(N=C1Cl)Cl)C(F)(F)F MNO000173 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.884 CC1=C(C=CC(=C1F)F)C(F)(F)F MNO000109 [0,2,0,0,0,0|1,0,0]=3 99 B13R1.7922 NC1=CC(=CC(=C1N)Cl)C(F)(F)F CDS020078 [0,2,0,0,0,0|1,0,0]=3 100 B13R1.53 CC1=CC(=C(C=C1)C(F)(F)F)CBr CDS022323 [0,2,0,0,0,0|1,0,0]=3 101 B13R2.3051 FC1(OC2=CC=C(C=C2O1)Br)F CDS013917 [0,0,0,1,0,1|2,0,0]=4 102 B9R0.10 C/C(=C\C(=O)O)/C(F)(F)F CDS001546 [0,0,1,0,1,0|1,0,1]=4 103 B9R1.19 FC(F)(F)C1=CNC=N1 CDS005796 [1,0,0,0,1,0|2,0,0]=4 104 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [1,0,0,0,0,1|0,0,0]=2 105 B11R1.509 FC(F)(F)[Hg]C1=CC=CC=C1 S110469 [1,0,0,0,0,1|0,0,0]=2 106 B13R1.512 FC(F)(F)CNC1=CC=C(C=C1)Cl L512680 [0,0,0,0,0,2|1,0,0]=3